USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=14 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 Set 1.1: A 31 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 59 SER OG : rot 40:sc= 0.223 USER MOD Single : A 23 SER OG : rot -104:sc= 0.0625 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.703 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -120:sc= -0.34 (180deg=-1.64) USER MOD Single : A 51 GLN : amide:sc= -0.625 X(o=-0.63,f=-0.78) USER MOD Single : A 52 TYR OH : rot 128:sc= -1.28 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0915 USER MOD Single : A 72 ASN : amide:sc= -4.7! K(o=-4.7!,f=-0.34) USER MOD Single : A 74 GLN : amide:sc= -0.0314 X(o=-0.031,f=0) USER MOD Single : A 78 SER OG : rot -167:sc= -5.43! USER MOD Single : A 79 LYS NZ :NH3+ -161:sc=-0.00356 (180deg=-0.169) USER MOD Single : A 82 ASN : amide:sc= -0.341 X(o=-0.34,f=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.109) USER MOD Single : A 99 SER OG : rot 180:sc=-0.00917 USER MOD Single : A 100 ASN : amide:sc= -0.139 K(o=-0.14,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 246 N GLU A 20 20.367 30.432 -16.833 1.00 4.51 N ATOM 247 CA GLU A 20 19.337 30.303 -15.809 1.00 40.13 C ATOM 248 C GLU A 20 18.041 30.975 -16.254 1.00 1.12 C ATOM 249 O GLU A 20 17.670 32.046 -15.772 1.00 25.20 O ATOM 250 CB GLU A 20 19.816 30.916 -14.492 1.00 21.35 C ATOM 251 CG GLU A 20 20.318 32.343 -14.631 1.00 3.01 C ATOM 252 CD GLU A 20 21.158 32.784 -13.448 1.00 10.21 C ATOM 253 OE1 GLU A 20 21.490 31.927 -12.603 1.00 4.00 O ATOM 254 OE2 GLU A 20 21.483 33.987 -13.368 1.00 12.54 O ATOM 0 HA GLU A 20 19.142 29.241 -15.657 1.00 40.13 H new ATOM 0 HB2 GLU A 20 18.997 30.897 -13.773 1.00 21.35 H new ATOM 0 HB3 GLU A 20 20.614 30.297 -14.082 1.00 21.35 H new ATOM 0 HG2 GLU A 20 20.908 32.429 -15.543 1.00 3.01 H new ATOM 0 HG3 GLU A 20 19.466 33.015 -14.738 1.00 3.01 H new ATOM 261 N PRO A 21 17.335 30.333 -17.196 1.00 30.30 N ATOM 262 CA PRO A 21 16.070 30.849 -17.727 1.00 11.11 C ATOM 263 C PRO A 21 14.943 30.788 -16.702 1.00 31.14 C ATOM 264 O PRO A 21 14.141 31.714 -16.590 1.00 52.03 O ATOM 265 CB PRO A 21 15.773 29.917 -18.904 1.00 53.34 C ATOM 266 CG PRO A 21 16.482 28.650 -18.573 1.00 20.10 C ATOM 267 CD PRO A 21 17.717 29.052 -17.815 1.00 51.42 C ATOM 0 HA PRO A 21 16.144 31.900 -18.006 1.00 11.11 H new ATOM 0 HB2 PRO A 21 14.702 29.753 -19.018 1.00 53.34 H new ATOM 0 HB3 PRO A 21 16.133 30.338 -19.843 1.00 53.34 H new ATOM 0 HG2 PRO A 21 15.851 27.995 -17.972 1.00 20.10 H new ATOM 0 HG3 PRO A 21 16.741 28.100 -19.478 1.00 20.10 H new ATOM 0 HD2 PRO A 21 17.988 28.309 -17.065 1.00 51.42 H new ATOM 0 HD3 PRO A 21 18.576 29.166 -18.477 1.00 51.42 H new ATOM 275 N GLY A 22 14.888 29.690 -15.953 1.00 45.12 N ATOM 276 CA GLY A 22 13.856 29.529 -14.946 1.00 51.13 C ATOM 277 C GLY A 22 14.030 30.482 -13.780 1.00 74.22 C ATOM 278 O GLY A 22 13.138 30.618 -12.943 1.00 33.11 O ATOM 0 H GLY A 22 15.540 28.909 -16.026 1.00 45.12 H new ATOM 0 HA2 GLY A 22 12.879 29.692 -15.402 1.00 51.13 H new ATOM 0 HA3 GLY A 22 13.869 28.503 -14.578 1.00 51.13 H new ATOM 282 N SER A 23 15.182 31.142 -13.724 1.00 51.00 N ATOM 283 CA SER A 23 15.472 32.083 -12.648 1.00 61.15 C ATOM 284 C SER A 23 14.345 33.101 -12.498 1.00 65.42 C ATOM 285 O SER A 23 13.779 33.567 -13.486 1.00 32.52 O ATOM 286 CB SER A 23 16.794 32.805 -12.917 1.00 22.34 C ATOM 287 OG SER A 23 16.588 33.978 -13.684 1.00 2.23 O ATOM 0 H SER A 23 15.930 31.043 -14.411 1.00 51.00 H new ATOM 0 HA SER A 23 15.556 31.520 -11.718 1.00 61.15 H new ATOM 0 HB2 SER A 23 17.269 33.064 -11.971 1.00 22.34 H new ATOM 0 HB3 SER A 23 17.476 32.137 -13.444 1.00 22.34 H new ATOM 0 HG SER A 23 16.864 33.816 -14.610 1.00 2.23 H new ATOM 293 N GLY A 24 14.026 33.441 -11.253 1.00 51.22 N ATOM 294 CA GLY A 24 12.969 34.401 -10.995 1.00 14.01 C ATOM 295 C GLY A 24 11.902 33.853 -10.067 1.00 41.14 C ATOM 296 O GLY A 24 10.741 34.255 -10.139 1.00 13.12 O ATOM 0 H GLY A 24 14.480 33.069 -10.419 1.00 51.22 H new ATOM 0 HA2 GLY A 24 13.399 35.302 -10.557 1.00 14.01 H new ATOM 0 HA3 GLY A 24 12.510 34.694 -11.939 1.00 14.01 H new ATOM 300 N VAL A 25 12.296 32.931 -9.195 1.00 11.14 N ATOM 301 CA VAL A 25 11.365 32.326 -8.249 1.00 41.32 C ATOM 302 C VAL A 25 12.041 32.055 -6.910 1.00 12.32 C ATOM 303 O VAL A 25 13.265 31.956 -6.829 1.00 43.35 O ATOM 304 CB VAL A 25 10.787 31.008 -8.796 1.00 70.33 C ATOM 305 CG1 VAL A 25 9.590 30.565 -7.969 1.00 10.24 C ATOM 306 CG2 VAL A 25 10.406 31.161 -10.261 1.00 34.21 C ATOM 0 H VAL A 25 13.253 32.586 -9.124 1.00 11.14 H new ATOM 0 HA VAL A 25 10.552 33.038 -8.105 1.00 41.32 H new ATOM 0 HB VAL A 25 11.554 30.237 -8.722 1.00 70.33 H new ATOM 0 HG11 VAL A 25 9.195 29.632 -8.371 1.00 10.24 H new ATOM 0 HG12 VAL A 25 9.899 30.413 -6.935 1.00 10.24 H new ATOM 0 HG13 VAL A 25 8.817 31.332 -8.008 1.00 10.24 H new ATOM 0 HG21 VAL A 25 9.999 30.220 -10.631 1.00 34.21 H new ATOM 0 HG22 VAL A 25 9.656 31.945 -10.362 1.00 34.21 H new ATOM 0 HG23 VAL A 25 11.290 31.428 -10.841 1.00 34.21 H new ATOM 316 N ARG A 26 11.235 31.936 -5.860 1.00 74.40 N ATOM 317 CA ARG A 26 11.755 31.676 -4.523 1.00 13.51 C ATOM 318 C ARG A 26 11.026 30.503 -3.874 1.00 50.31 C ATOM 319 O ARG A 26 9.978 30.678 -3.252 1.00 53.43 O ATOM 320 CB ARG A 26 11.616 32.924 -3.648 1.00 31.30 C ATOM 321 CG ARG A 26 12.335 32.814 -2.313 1.00 51.43 C ATOM 322 CD ARG A 26 11.352 32.689 -1.160 1.00 21.13 C ATOM 323 NE ARG A 26 11.841 33.346 0.050 1.00 53.15 N ATOM 324 CZ ARG A 26 11.134 33.441 1.171 1.00 45.54 C ATOM 325 NH1 ARG A 26 9.915 32.924 1.236 1.00 3.40 N ATOM 326 NH2 ARG A 26 11.648 34.055 2.229 1.00 32.34 N ATOM 0 H ARG A 26 10.219 32.016 -5.909 1.00 74.40 H new ATOM 0 HA ARG A 26 12.810 31.419 -4.614 1.00 13.51 H new ATOM 0 HB2 ARG A 26 12.006 33.784 -4.192 1.00 31.30 H new ATOM 0 HB3 ARG A 26 10.558 33.115 -3.467 1.00 31.30 H new ATOM 0 HG2 ARG A 26 12.996 31.947 -2.325 1.00 51.43 H new ATOM 0 HG3 ARG A 26 12.963 33.692 -2.163 1.00 51.43 H new ATOM 0 HD2 ARG A 26 10.397 33.127 -1.449 1.00 21.13 H new ATOM 0 HD3 ARG A 26 11.170 31.635 -0.952 1.00 21.13 H new ATOM 0 HE ARG A 26 12.776 33.754 0.033 1.00 53.15 H new ATOM 0 HH11 ARG A 26 9.517 32.452 0.424 1.00 3.40 H new ATOM 0 HH12 ARG A 26 9.375 32.999 2.098 1.00 3.40 H new ATOM 0 HH21 ARG A 26 12.586 34.454 2.182 1.00 32.34 H new ATOM 0 HH22 ARG A 26 11.106 34.128 3.090 1.00 32.34 H new ATOM 340 N ILE A 27 11.588 29.309 -4.024 1.00 31.40 N ATOM 341 CA ILE A 27 10.992 28.107 -3.452 1.00 50.54 C ATOM 342 C ILE A 27 11.402 27.931 -1.994 1.00 61.23 C ATOM 343 O ILE A 27 12.479 28.364 -1.584 1.00 61.32 O ATOM 344 CB ILE A 27 11.394 26.849 -4.243 1.00 71.52 C ATOM 345 CG1 ILE A 27 11.171 27.068 -5.741 1.00 24.10 C ATOM 346 CG2 ILE A 27 10.605 25.643 -3.756 1.00 33.41 C ATOM 347 CD1 ILE A 27 12.375 27.644 -6.453 1.00 4.13 C ATOM 0 H ILE A 27 12.455 29.147 -4.536 1.00 31.40 H new ATOM 0 HA ILE A 27 9.911 28.232 -3.510 1.00 50.54 H new ATOM 0 HB ILE A 27 12.454 26.657 -4.077 1.00 71.52 H new ATOM 0 HG12 ILE A 27 10.906 26.117 -6.203 1.00 24.10 H new ATOM 0 HG13 ILE A 27 10.322 27.738 -5.880 1.00 24.10 H new ATOM 0 HG21 ILE A 27 10.900 24.761 -4.325 1.00 33.41 H new ATOM 0 HG22 ILE A 27 10.809 25.478 -2.698 1.00 33.41 H new ATOM 0 HG23 ILE A 27 9.539 25.825 -3.896 1.00 33.41 H new ATOM 0 HD11 ILE A 27 12.145 27.773 -7.511 1.00 4.13 H new ATOM 0 HD12 ILE A 27 12.628 28.610 -6.017 1.00 4.13 H new ATOM 0 HD13 ILE A 27 13.221 26.965 -6.345 1.00 4.13 H new ATOM 359 N VAL A 28 10.536 27.290 -1.215 1.00 64.12 N ATOM 360 CA VAL A 28 10.809 27.053 0.197 1.00 23.42 C ATOM 361 C VAL A 28 10.135 25.773 0.680 1.00 44.13 C ATOM 362 O VAL A 28 8.927 25.745 0.912 1.00 32.32 O ATOM 363 CB VAL A 28 10.332 28.231 1.067 1.00 73.32 C ATOM 364 CG1 VAL A 28 10.609 27.956 2.537 1.00 44.50 C ATOM 365 CG2 VAL A 28 10.997 29.524 0.622 1.00 2.54 C ATOM 0 H VAL A 28 9.640 26.926 -1.538 1.00 64.12 H new ATOM 0 HA VAL A 28 11.890 26.952 0.297 1.00 23.42 H new ATOM 0 HB VAL A 28 9.255 28.341 0.941 1.00 73.32 H new ATOM 0 HG11 VAL A 28 10.265 28.799 3.136 1.00 44.50 H new ATOM 0 HG12 VAL A 28 10.081 27.053 2.844 1.00 44.50 H new ATOM 0 HG13 VAL A 28 11.680 27.818 2.686 1.00 44.50 H new ATOM 0 HG21 VAL A 28 10.649 30.346 1.247 1.00 2.54 H new ATOM 0 HG22 VAL A 28 12.079 29.428 0.717 1.00 2.54 H new ATOM 0 HG23 VAL A 28 10.741 29.726 -0.418 1.00 2.54 H new ATOM 375 N VAL A 29 10.925 24.715 0.829 1.00 25.40 N ATOM 376 CA VAL A 29 10.406 23.431 1.286 1.00 50.12 C ATOM 377 C VAL A 29 10.172 23.438 2.792 1.00 30.32 C ATOM 378 O VAL A 29 11.066 23.775 3.567 1.00 23.32 O ATOM 379 CB VAL A 29 11.365 22.279 0.931 1.00 10.23 C ATOM 380 CG1 VAL A 29 12.690 22.443 1.660 1.00 13.45 C ATOM 381 CG2 VAL A 29 10.729 20.937 1.260 1.00 60.12 C ATOM 0 H VAL A 29 11.927 24.721 0.640 1.00 25.40 H new ATOM 0 HA VAL A 29 9.456 23.273 0.775 1.00 50.12 H new ATOM 0 HB VAL A 29 11.561 22.310 -0.141 1.00 10.23 H new ATOM 0 HG11 VAL A 29 13.354 21.620 1.397 1.00 13.45 H new ATOM 0 HG12 VAL A 29 13.150 23.388 1.370 1.00 13.45 H new ATOM 0 HG13 VAL A 29 12.516 22.439 2.736 1.00 13.45 H new ATOM 0 HG21 VAL A 29 11.420 20.134 1.003 1.00 60.12 H new ATOM 0 HG22 VAL A 29 10.502 20.893 2.325 1.00 60.12 H new ATOM 0 HG23 VAL A 29 9.809 20.821 0.688 1.00 60.12 H new ATOM 391 N GLU A 30 8.963 23.062 3.200 1.00 45.34 N ATOM 392 CA GLU A 30 8.612 23.026 4.614 1.00 22.54 C ATOM 393 C GLU A 30 8.534 21.587 5.118 1.00 13.22 C ATOM 394 O GLU A 30 7.593 20.858 4.803 1.00 11.12 O ATOM 395 CB GLU A 30 7.276 23.734 4.850 1.00 64.54 C ATOM 396 CG GLU A 30 7.133 24.314 6.247 1.00 72.15 C ATOM 397 CD GLU A 30 5.929 25.226 6.378 1.00 13.13 C ATOM 398 OE1 GLU A 30 5.524 25.825 5.359 1.00 22.54 O ATOM 399 OE2 GLU A 30 5.391 25.342 7.499 1.00 3.04 O ATOM 0 H GLU A 30 8.212 22.778 2.571 1.00 45.34 H new ATOM 0 HA GLU A 30 9.393 23.546 5.169 1.00 22.54 H new ATOM 0 HB2 GLU A 30 7.165 24.536 4.120 1.00 64.54 H new ATOM 0 HB3 GLU A 30 6.464 23.028 4.674 1.00 64.54 H new ATOM 0 HG2 GLU A 30 7.048 23.500 6.967 1.00 72.15 H new ATOM 0 HG3 GLU A 30 8.035 24.871 6.500 1.00 72.15 H new ATOM 406 N TYR A 31 9.529 21.186 5.902 1.00 54.14 N ATOM 407 CA TYR A 31 9.575 19.835 6.447 1.00 33.30 C ATOM 408 C TYR A 31 10.155 19.836 7.858 1.00 41.10 C ATOM 409 O TYR A 31 10.804 20.796 8.274 1.00 5.02 O ATOM 410 CB TYR A 31 10.407 18.925 5.542 1.00 3.10 C ATOM 411 CG TYR A 31 11.879 19.271 5.525 1.00 21.00 C ATOM 412 CD1 TYR A 31 12.739 18.785 6.502 1.00 33.22 C ATOM 413 CD2 TYR A 31 12.410 20.084 4.531 1.00 63.53 C ATOM 414 CE1 TYR A 31 14.084 19.099 6.491 1.00 52.02 C ATOM 415 CE2 TYR A 31 13.754 20.402 4.511 1.00 65.24 C ATOM 416 CZ TYR A 31 14.587 19.908 5.493 1.00 30.50 C ATOM 417 OH TYR A 31 15.927 20.222 5.477 1.00 34.34 O ATOM 0 H TYR A 31 10.314 21.778 6.174 1.00 54.14 H new ATOM 0 HA TYR A 31 8.555 19.455 6.494 1.00 33.30 H new ATOM 0 HB2 TYR A 31 10.289 17.893 5.871 1.00 3.10 H new ATOM 0 HB3 TYR A 31 10.017 18.982 4.526 1.00 3.10 H new ATOM 0 HD1 TYR A 31 12.349 18.150 7.284 1.00 33.22 H new ATOM 0 HD2 TYR A 31 11.761 20.474 3.761 1.00 63.53 H new ATOM 0 HE1 TYR A 31 14.738 18.714 7.259 1.00 52.02 H new ATOM 0 HE2 TYR A 31 14.151 21.034 3.730 1.00 65.24 H new ATOM 0 HH TYR A 31 16.119 20.799 4.709 1.00 34.34 H new ATOM 427 N CYS A 32 9.917 18.753 8.590 1.00 74.12 N ATOM 428 CA CYS A 32 10.414 18.626 9.954 1.00 4.41 C ATOM 429 C CYS A 32 11.906 18.304 9.961 1.00 31.42 C ATOM 430 O CYS A 32 12.307 17.173 9.686 1.00 2.41 O ATOM 431 CB CYS A 32 9.642 17.538 10.702 1.00 23.21 C ATOM 432 SG CYS A 32 10.319 17.143 12.347 1.00 60.34 S ATOM 0 H CYS A 32 9.382 17.950 8.260 1.00 74.12 H new ATOM 0 HA CYS A 32 10.264 19.580 10.459 1.00 4.41 H new ATOM 0 HB2 CYS A 32 8.605 17.855 10.814 1.00 23.21 H new ATOM 0 HB3 CYS A 32 9.634 16.631 10.097 1.00 23.21 H new ATOM 437 N GLU A 33 12.721 19.305 10.278 1.00 31.11 N ATOM 438 CA GLU A 33 14.168 19.127 10.320 1.00 14.23 C ATOM 439 C GLU A 33 14.550 18.002 11.277 1.00 32.43 C ATOM 440 O GLU A 33 15.135 16.992 10.886 1.00 61.33 O ATOM 441 CB GLU A 33 14.851 20.428 10.747 1.00 63.04 C ATOM 442 CG GLU A 33 15.409 21.232 9.584 1.00 54.00 C ATOM 443 CD GLU A 33 16.225 22.427 10.039 1.00 75.52 C ATOM 444 OE1 GLU A 33 16.567 22.490 11.238 1.00 64.23 O ATOM 445 OE2 GLU A 33 16.520 23.298 9.195 1.00 43.15 O ATOM 0 H GLU A 33 12.405 20.247 10.509 1.00 31.11 H new ATOM 0 HA GLU A 33 14.505 18.859 9.319 1.00 14.23 H new ATOM 0 HB2 GLU A 33 14.135 21.043 11.292 1.00 63.04 H new ATOM 0 HB3 GLU A 33 15.661 20.194 11.438 1.00 63.04 H new ATOM 0 HG2 GLU A 33 16.032 20.585 8.966 1.00 54.00 H new ATOM 0 HG3 GLU A 33 14.586 21.576 8.957 1.00 54.00 H new ATOM 452 N PRO A 34 14.212 18.179 12.563 1.00 31.42 N ATOM 453 CA PRO A 34 14.509 17.189 13.603 1.00 3.22 C ATOM 454 C PRO A 34 13.672 15.923 13.456 1.00 41.44 C ATOM 455 O PRO A 34 12.967 15.522 14.382 1.00 72.34 O ATOM 456 CB PRO A 34 14.151 17.919 14.900 1.00 10.20 C ATOM 457 CG PRO A 34 13.141 18.936 14.495 1.00 14.44 C ATOM 458 CD PRO A 34 13.513 19.358 13.101 1.00 72.12 C ATOM 0 HA PRO A 34 15.544 16.851 13.559 1.00 3.22 H new ATOM 0 HB2 PRO A 34 13.745 17.232 15.642 1.00 10.20 H new ATOM 0 HB3 PRO A 34 15.028 18.388 15.346 1.00 10.20 H new ATOM 0 HG2 PRO A 34 12.135 18.518 14.521 1.00 14.44 H new ATOM 0 HG3 PRO A 34 13.150 19.787 15.176 1.00 14.44 H new ATOM 0 HD2 PRO A 34 12.633 19.608 12.509 1.00 72.12 H new ATOM 0 HD3 PRO A 34 14.155 20.239 13.106 1.00 72.12 H new ATOM 466 N CYS A 35 13.755 15.298 12.286 1.00 34.01 N ATOM 467 CA CYS A 35 13.005 14.077 12.017 1.00 52.24 C ATOM 468 C CYS A 35 13.789 13.150 11.093 1.00 23.41 C ATOM 469 O CYS A 35 13.855 11.942 11.319 1.00 41.04 O ATOM 470 CB CYS A 35 11.651 14.414 11.389 1.00 34.51 C ATOM 471 SG CYS A 35 10.421 15.051 12.572 1.00 12.31 S ATOM 0 H CYS A 35 14.334 15.617 11.509 1.00 34.01 H new ATOM 0 HA CYS A 35 12.842 13.564 12.965 1.00 52.24 H new ATOM 0 HB2 CYS A 35 11.801 15.154 10.603 1.00 34.51 H new ATOM 0 HB3 CYS A 35 11.251 13.519 10.912 1.00 34.51 H new ATOM 476 N GLY A 36 14.384 13.724 10.052 1.00 55.34 N ATOM 477 CA GLY A 36 15.156 12.935 9.110 1.00 53.33 C ATOM 478 C GLY A 36 14.687 13.117 7.680 1.00 51.13 C ATOM 479 O GLY A 36 14.976 12.291 6.814 1.00 31.41 O ATOM 0 H GLY A 36 14.345 14.722 9.844 1.00 55.34 H new ATOM 0 HA2 GLY A 36 16.207 13.214 9.183 1.00 53.33 H new ATOM 0 HA3 GLY A 36 15.087 11.881 9.381 1.00 53.33 H new ATOM 483 N PHE A 37 13.960 14.201 7.430 1.00 13.14 N ATOM 484 CA PHE A 37 13.447 14.488 6.096 1.00 63.54 C ATOM 485 C PHE A 37 14.476 15.256 5.271 1.00 0.14 C ATOM 486 O PHE A 37 14.301 15.452 4.069 1.00 3.53 O ATOM 487 CB PHE A 37 12.148 15.290 6.187 1.00 74.15 C ATOM 488 CG PHE A 37 10.956 14.459 6.569 1.00 51.43 C ATOM 489 CD1 PHE A 37 10.224 13.789 5.602 1.00 34.24 C ATOM 490 CD2 PHE A 37 10.568 14.350 7.894 1.00 34.12 C ATOM 491 CE1 PHE A 37 9.127 13.023 5.951 1.00 54.43 C ATOM 492 CE2 PHE A 37 9.472 13.586 8.249 1.00 71.35 C ATOM 493 CZ PHE A 37 8.750 12.923 7.275 1.00 32.35 C ATOM 0 H PHE A 37 13.713 14.896 8.135 1.00 13.14 H new ATOM 0 HA PHE A 37 13.245 13.539 5.600 1.00 63.54 H new ATOM 0 HB2 PHE A 37 12.274 16.088 6.918 1.00 74.15 H new ATOM 0 HB3 PHE A 37 11.956 15.766 5.225 1.00 74.15 H new ATOM 0 HD1 PHE A 37 10.513 13.866 4.564 1.00 34.24 H new ATOM 0 HD2 PHE A 37 11.128 14.868 8.659 1.00 34.12 H new ATOM 0 HE1 PHE A 37 8.566 12.504 5.188 1.00 54.43 H new ATOM 0 HE2 PHE A 37 9.180 13.507 9.286 1.00 71.35 H new ATOM 0 HZ PHE A 37 7.892 12.327 7.549 1.00 32.35 H new ATOM 503 N GLU A 38 15.548 15.688 5.928 1.00 41.40 N ATOM 504 CA GLU A 38 16.604 16.437 5.256 1.00 21.33 C ATOM 505 C GLU A 38 17.435 15.521 4.362 1.00 42.21 C ATOM 506 O GLU A 38 18.020 15.965 3.374 1.00 31.22 O ATOM 507 CB GLU A 38 17.508 17.121 6.284 1.00 13.11 C ATOM 508 CG GLU A 38 18.518 18.074 5.668 1.00 61.25 C ATOM 509 CD GLU A 38 19.094 19.047 6.678 1.00 42.03 C ATOM 510 OE1 GLU A 38 18.456 19.258 7.730 1.00 53.43 O ATOM 511 OE2 GLU A 38 20.184 19.597 6.416 1.00 44.15 O ATOM 0 H GLU A 38 15.708 15.533 6.923 1.00 41.40 H new ATOM 0 HA GLU A 38 16.135 17.198 4.632 1.00 21.33 H new ATOM 0 HB2 GLU A 38 16.888 17.670 6.992 1.00 13.11 H new ATOM 0 HB3 GLU A 38 18.040 16.358 6.852 1.00 13.11 H new ATOM 0 HG2 GLU A 38 19.328 17.499 5.220 1.00 61.25 H new ATOM 0 HG3 GLU A 38 18.041 18.632 4.863 1.00 61.25 H new ATOM 518 N ALA A 39 17.483 14.241 4.717 1.00 55.34 N ATOM 519 CA ALA A 39 18.240 13.263 3.946 1.00 20.34 C ATOM 520 C ALA A 39 17.509 12.891 2.661 1.00 71.21 C ATOM 521 O ALA A 39 18.060 12.211 1.795 1.00 62.14 O ATOM 522 CB ALA A 39 18.503 12.020 4.785 1.00 40.44 C ATOM 0 H ALA A 39 17.007 13.858 5.533 1.00 55.34 H new ATOM 0 HA ALA A 39 19.194 13.713 3.672 1.00 20.34 H new ATOM 0 HB1 ALA A 39 19.069 11.297 4.197 1.00 40.44 H new ATOM 0 HB2 ALA A 39 19.074 12.294 5.672 1.00 40.44 H new ATOM 0 HB3 ALA A 39 17.554 11.578 5.087 1.00 40.44 H new ATOM 528 N THR A 40 16.263 13.340 2.543 1.00 43.24 N ATOM 529 CA THR A 40 15.456 13.053 1.364 1.00 52.02 C ATOM 530 C THR A 40 15.243 14.307 0.524 1.00 2.41 C ATOM 531 O THR A 40 14.875 14.226 -0.648 1.00 41.50 O ATOM 532 CB THR A 40 14.084 12.470 1.751 1.00 32.32 C ATOM 533 OG1 THR A 40 14.259 11.305 2.565 1.00 31.15 O ATOM 534 CG2 THR A 40 13.279 12.111 0.511 1.00 14.42 C ATOM 0 H THR A 40 15.791 13.904 3.250 1.00 43.24 H new ATOM 0 HA THR A 40 16.005 12.315 0.778 1.00 52.02 H new ATOM 0 HB THR A 40 13.538 13.227 2.313 1.00 32.32 H new ATOM 0 HG1 THR A 40 13.382 10.941 2.808 1.00 31.15 H new ATOM 0 HG21 THR A 40 12.314 11.701 0.810 1.00 14.42 H new ATOM 0 HG22 THR A 40 13.122 13.005 -0.093 1.00 14.42 H new ATOM 0 HG23 THR A 40 13.823 11.369 -0.074 1.00 14.42 H new ATOM 542 N TYR A 41 15.478 15.466 1.130 1.00 33.11 N ATOM 543 CA TYR A 41 15.310 16.738 0.438 1.00 40.20 C ATOM 544 C TYR A 41 16.610 17.167 -0.236 1.00 11.44 C ATOM 545 O TYR A 41 16.599 17.739 -1.327 1.00 34.22 O ATOM 546 CB TYR A 41 14.849 17.819 1.418 1.00 63.24 C ATOM 547 CG TYR A 41 15.166 19.225 0.961 1.00 71.01 C ATOM 548 CD1 TYR A 41 14.737 19.687 -0.277 1.00 53.32 C ATOM 549 CD2 TYR A 41 15.895 20.091 1.767 1.00 71.25 C ATOM 550 CE1 TYR A 41 15.024 20.971 -0.699 1.00 41.02 C ATOM 551 CE2 TYR A 41 16.186 21.377 1.353 1.00 33.54 C ATOM 552 CZ TYR A 41 15.748 21.812 0.120 1.00 64.12 C ATOM 553 OH TYR A 41 16.037 23.091 -0.296 1.00 2.51 O ATOM 0 H TYR A 41 15.785 15.550 2.099 1.00 33.11 H new ATOM 0 HA TYR A 41 14.549 16.607 -0.331 1.00 40.20 H new ATOM 0 HB2 TYR A 41 13.773 17.728 1.567 1.00 63.24 H new ATOM 0 HB3 TYR A 41 15.320 17.645 2.385 1.00 63.24 H new ATOM 0 HD1 TYR A 41 14.169 19.031 -0.921 1.00 53.32 H new ATOM 0 HD2 TYR A 41 16.240 19.753 2.733 1.00 71.25 H new ATOM 0 HE1 TYR A 41 14.683 21.314 -1.665 1.00 41.02 H new ATOM 0 HE2 TYR A 41 16.753 22.038 1.992 1.00 33.54 H new ATOM 0 HH TYR A 41 16.553 23.552 0.398 1.00 2.51 H new ATOM 563 N LEU A 42 17.730 16.887 0.422 1.00 14.40 N ATOM 564 CA LEU A 42 19.040 17.243 -0.112 1.00 32.11 C ATOM 565 C LEU A 42 19.569 16.147 -1.032 1.00 14.21 C ATOM 566 O LEU A 42 20.715 16.197 -1.477 1.00 54.51 O ATOM 567 CB LEU A 42 20.028 17.487 1.030 1.00 44.34 C ATOM 568 CG LEU A 42 20.551 18.917 1.170 1.00 45.20 C ATOM 569 CD1 LEU A 42 19.479 19.823 1.755 1.00 71.02 C ATOM 570 CD2 LEU A 42 21.804 18.944 2.033 1.00 2.55 C ATOM 0 H LEU A 42 17.757 16.415 1.326 1.00 14.40 H new ATOM 0 HA LEU A 42 18.932 18.159 -0.693 1.00 32.11 H new ATOM 0 HB2 LEU A 42 19.547 17.204 1.966 1.00 44.34 H new ATOM 0 HB3 LEU A 42 20.880 16.821 0.895 1.00 44.34 H new ATOM 0 HG LEU A 42 20.809 19.288 0.178 1.00 45.20 H new ATOM 0 HD11 LEU A 42 19.870 20.836 1.847 1.00 71.02 H new ATOM 0 HD12 LEU A 42 18.609 19.828 1.099 1.00 71.02 H new ATOM 0 HD13 LEU A 42 19.189 19.455 2.739 1.00 71.02 H new ATOM 0 HD21 LEU A 42 22.163 19.970 2.122 1.00 2.55 H new ATOM 0 HD22 LEU A 42 21.572 18.554 3.024 1.00 2.55 H new ATOM 0 HD23 LEU A 42 22.576 18.328 1.572 1.00 2.55 H new ATOM 582 N GLU A 43 18.724 15.160 -1.314 1.00 24.33 N ATOM 583 CA GLU A 43 19.107 14.053 -2.182 1.00 63.23 C ATOM 584 C GLU A 43 18.784 14.368 -3.640 1.00 33.21 C ATOM 585 O GLU A 43 19.682 14.594 -4.452 1.00 74.33 O ATOM 586 CB GLU A 43 18.392 12.769 -1.755 1.00 51.34 C ATOM 587 CG GLU A 43 19.223 11.884 -0.841 1.00 52.55 C ATOM 588 CD GLU A 43 20.387 11.233 -1.561 1.00 64.34 C ATOM 589 OE1 GLU A 43 21.421 11.907 -1.751 1.00 52.32 O ATOM 590 OE2 GLU A 43 20.265 10.047 -1.935 1.00 13.14 O ATOM 0 H GLU A 43 17.771 15.105 -0.954 1.00 24.33 H new ATOM 0 HA GLU A 43 20.183 13.908 -2.089 1.00 63.23 H new ATOM 0 HB2 GLU A 43 17.464 13.032 -1.247 1.00 51.34 H new ATOM 0 HB3 GLU A 43 18.119 12.202 -2.645 1.00 51.34 H new ATOM 0 HG2 GLU A 43 19.602 12.480 -0.010 1.00 52.55 H new ATOM 0 HG3 GLU A 43 18.586 11.110 -0.414 1.00 52.55 H new ATOM 597 N LEU A 44 17.496 14.380 -3.964 1.00 55.51 N ATOM 598 CA LEU A 44 17.052 14.667 -5.324 1.00 14.11 C ATOM 599 C LEU A 44 17.300 16.129 -5.681 1.00 41.10 C ATOM 600 O LEU A 44 17.164 16.528 -6.837 1.00 62.44 O ATOM 601 CB LEU A 44 15.565 14.339 -5.476 1.00 64.42 C ATOM 602 CG LEU A 44 14.589 15.350 -4.874 1.00 63.10 C ATOM 603 CD1 LEU A 44 14.967 15.664 -3.435 1.00 14.13 C ATOM 604 CD2 LEU A 44 14.557 16.622 -5.709 1.00 30.04 C ATOM 0 H LEU A 44 16.741 14.194 -3.304 1.00 55.51 H new ATOM 0 HA LEU A 44 17.628 14.042 -6.007 1.00 14.11 H new ATOM 0 HB2 LEU A 44 15.343 14.238 -6.538 1.00 64.42 H new ATOM 0 HB3 LEU A 44 15.379 13.368 -5.018 1.00 64.42 H new ATOM 0 HG LEU A 44 13.591 14.911 -4.879 1.00 63.10 H new ATOM 0 HD11 LEU A 44 14.261 16.385 -3.023 1.00 14.13 H new ATOM 0 HD12 LEU A 44 14.938 14.749 -2.843 1.00 14.13 H new ATOM 0 HD13 LEU A 44 15.973 16.083 -3.406 1.00 14.13 H new ATOM 0 HD21 LEU A 44 13.857 17.331 -5.266 1.00 30.04 H new ATOM 0 HD22 LEU A 44 15.553 17.064 -5.736 1.00 30.04 H new ATOM 0 HD23 LEU A 44 14.238 16.383 -6.724 1.00 30.04 H new ATOM 616 N ALA A 45 17.667 16.923 -4.680 1.00 50.25 N ATOM 617 CA ALA A 45 17.939 18.340 -4.890 1.00 31.22 C ATOM 618 C ALA A 45 19.390 18.565 -5.301 1.00 52.42 C ATOM 619 O ALA A 45 19.736 19.617 -5.840 1.00 71.41 O ATOM 620 CB ALA A 45 17.616 19.131 -3.631 1.00 21.23 C ATOM 0 H ALA A 45 17.783 16.609 -3.716 1.00 50.25 H new ATOM 0 HA ALA A 45 17.301 18.692 -5.701 1.00 31.22 H new ATOM 0 HB1 ALA A 45 17.824 20.187 -3.802 1.00 21.23 H new ATOM 0 HB2 ALA A 45 16.563 19.004 -3.382 1.00 21.23 H new ATOM 0 HB3 ALA A 45 18.230 18.769 -2.806 1.00 21.23 H new ATOM 626 N SER A 46 20.235 17.572 -5.043 1.00 14.32 N ATOM 627 CA SER A 46 21.650 17.665 -5.382 1.00 73.34 C ATOM 628 C SER A 46 21.834 17.953 -6.869 1.00 71.12 C ATOM 629 O SER A 46 22.859 18.491 -7.286 1.00 1.11 O ATOM 630 CB SER A 46 22.371 16.368 -5.009 1.00 41.14 C ATOM 631 OG SER A 46 23.758 16.591 -4.826 1.00 4.03 O ATOM 0 H SER A 46 19.964 16.694 -4.600 1.00 14.32 H new ATOM 0 HA SER A 46 22.082 18.489 -4.814 1.00 73.34 H new ATOM 0 HB2 SER A 46 21.941 15.959 -4.094 1.00 41.14 H new ATOM 0 HB3 SER A 46 22.219 15.625 -5.792 1.00 41.14 H new ATOM 0 HG SER A 46 24.196 15.748 -4.587 1.00 4.03 H new ATOM 637 N ALA A 47 20.833 17.590 -7.664 1.00 53.02 N ATOM 638 CA ALA A 47 20.882 17.811 -9.104 1.00 61.22 C ATOM 639 C ALA A 47 19.929 18.926 -9.522 1.00 23.33 C ATOM 640 O ALA A 47 20.174 19.631 -10.501 1.00 33.22 O ATOM 641 CB ALA A 47 20.551 16.525 -9.847 1.00 33.11 C ATOM 0 H ALA A 47 19.978 17.141 -7.335 1.00 53.02 H new ATOM 0 HA ALA A 47 21.895 18.118 -9.365 1.00 61.22 H new ATOM 0 HB1 ALA A 47 20.591 16.705 -10.921 1.00 33.11 H new ATOM 0 HB2 ALA A 47 21.274 15.754 -9.581 1.00 33.11 H new ATOM 0 HB3 ALA A 47 19.550 16.193 -9.572 1.00 33.11 H new ATOM 647 N VAL A 48 18.842 19.080 -8.773 1.00 75.42 N ATOM 648 CA VAL A 48 17.852 20.109 -9.066 1.00 13.44 C ATOM 649 C VAL A 48 18.478 21.499 -9.034 1.00 24.21 C ATOM 650 O VAL A 48 18.010 22.419 -9.705 1.00 22.12 O ATOM 651 CB VAL A 48 16.681 20.063 -8.065 1.00 44.14 C ATOM 652 CG1 VAL A 48 15.757 21.253 -8.270 1.00 13.43 C ATOM 653 CG2 VAL A 48 15.917 18.755 -8.200 1.00 63.41 C ATOM 0 H VAL A 48 18.625 18.505 -7.959 1.00 75.42 H new ATOM 0 HA VAL A 48 17.473 19.907 -10.068 1.00 13.44 H new ATOM 0 HB VAL A 48 17.086 20.118 -7.055 1.00 44.14 H new ATOM 0 HG11 VAL A 48 14.936 21.204 -7.555 1.00 13.43 H new ATOM 0 HG12 VAL A 48 16.315 22.177 -8.119 1.00 13.43 H new ATOM 0 HG13 VAL A 48 15.357 21.232 -9.284 1.00 13.43 H new ATOM 0 HG21 VAL A 48 15.094 18.739 -7.486 1.00 63.41 H new ATOM 0 HG22 VAL A 48 15.521 18.667 -9.212 1.00 63.41 H new ATOM 0 HG23 VAL A 48 16.588 17.920 -7.999 1.00 63.41 H new ATOM 663 N LYS A 49 19.541 21.645 -8.250 1.00 62.41 N ATOM 664 CA LYS A 49 20.235 22.921 -8.131 1.00 3.41 C ATOM 665 C LYS A 49 21.030 23.229 -9.396 1.00 71.11 C ATOM 666 O LYS A 49 21.348 24.385 -9.674 1.00 21.42 O ATOM 667 CB LYS A 49 21.171 22.906 -6.920 1.00 35.23 C ATOM 668 CG LYS A 49 21.775 24.262 -6.600 1.00 52.23 C ATOM 669 CD LYS A 49 21.074 24.922 -5.424 1.00 62.14 C ATOM 670 CE LYS A 49 19.804 25.635 -5.861 1.00 50.43 C ATOM 671 NZ LYS A 49 20.099 26.831 -6.699 1.00 23.23 N ATOM 0 H LYS A 49 19.941 20.894 -7.687 1.00 62.41 H new ATOM 0 HA LYS A 49 19.486 23.701 -7.994 1.00 3.41 H new ATOM 0 HB2 LYS A 49 20.620 22.549 -6.050 1.00 35.23 H new ATOM 0 HB3 LYS A 49 21.975 22.193 -7.102 1.00 35.23 H new ATOM 0 HG2 LYS A 49 22.835 24.145 -6.374 1.00 52.23 H new ATOM 0 HG3 LYS A 49 21.705 24.908 -7.475 1.00 52.23 H new ATOM 0 HD2 LYS A 49 20.830 24.169 -4.675 1.00 62.14 H new ATOM 0 HD3 LYS A 49 21.749 25.635 -4.951 1.00 62.14 H new ATOM 0 HE2 LYS A 49 19.175 24.944 -6.423 1.00 50.43 H new ATOM 0 HE3 LYS A 49 19.237 25.939 -4.981 1.00 50.43 H new ATOM 0 HZ1 LYS A 49 19.718 27.681 -6.237 1.00 23.23 H new ATOM 0 HZ2 LYS A 49 21.128 26.930 -6.812 1.00 23.23 H new ATOM 0 HZ3 LYS A 49 19.657 26.718 -7.634 1.00 23.23 H new ATOM 685 N GLU A 50 21.345 22.187 -10.159 1.00 44.13 N ATOM 686 CA GLU A 50 22.102 22.348 -11.395 1.00 63.12 C ATOM 687 C GLU A 50 21.192 22.792 -12.537 1.00 1.23 C ATOM 688 O GLU A 50 21.651 23.022 -13.655 1.00 74.24 O ATOM 689 CB GLU A 50 22.801 21.038 -11.766 1.00 31.04 C ATOM 690 CG GLU A 50 23.965 21.219 -12.725 1.00 41.21 C ATOM 691 CD GLU A 50 25.267 21.529 -12.011 1.00 74.13 C ATOM 692 OE1 GLU A 50 25.555 20.867 -10.992 1.00 44.22 O ATOM 693 OE2 GLU A 50 25.996 22.432 -12.471 1.00 53.21 O ATOM 0 H GLU A 50 21.088 21.224 -9.943 1.00 44.13 H new ATOM 0 HA GLU A 50 22.854 23.120 -11.232 1.00 63.12 H new ATOM 0 HB2 GLU A 50 23.162 20.559 -10.856 1.00 31.04 H new ATOM 0 HB3 GLU A 50 22.073 20.362 -12.215 1.00 31.04 H new ATOM 0 HG2 GLU A 50 24.087 20.312 -13.318 1.00 41.21 H new ATOM 0 HG3 GLU A 50 23.735 22.026 -13.421 1.00 41.21 H new ATOM 700 N GLN A 51 19.901 22.910 -12.244 1.00 71.15 N ATOM 701 CA GLN A 51 18.926 23.325 -13.246 1.00 42.13 C ATOM 702 C GLN A 51 18.729 24.837 -13.221 1.00 5.25 C ATOM 703 O GLN A 51 18.736 25.492 -14.263 1.00 73.13 O ATOM 704 CB GLN A 51 17.589 22.621 -13.010 1.00 60.22 C ATOM 705 CG GLN A 51 17.642 21.120 -13.245 1.00 23.23 C ATOM 706 CD GLN A 51 17.991 20.765 -14.677 1.00 21.23 C ATOM 707 OE1 GLN A 51 19.161 20.764 -15.061 1.00 20.22 O ATOM 708 NE2 GLN A 51 16.975 20.461 -15.476 1.00 21.42 N ATOM 0 H GLN A 51 19.506 22.724 -11.322 1.00 71.15 H new ATOM 0 HA GLN A 51 19.309 23.043 -14.227 1.00 42.13 H new ATOM 0 HB2 GLN A 51 17.265 22.809 -11.986 1.00 60.22 H new ATOM 0 HB3 GLN A 51 16.837 23.057 -13.668 1.00 60.22 H new ATOM 0 HG2 GLN A 51 18.379 20.677 -12.575 1.00 23.23 H new ATOM 0 HG3 GLN A 51 16.677 20.682 -12.991 1.00 23.23 H new ATOM 0 HE21 GLN A 51 16.021 20.475 -15.115 1.00 21.42 H new ATOM 0 HE22 GLN A 51 17.149 20.214 -16.450 1.00 21.42 H new ATOM 717 N TYR A 52 18.555 25.386 -12.023 1.00 73.44 N ATOM 718 CA TYR A 52 18.353 26.821 -11.862 1.00 61.41 C ATOM 719 C TYR A 52 19.137 27.350 -10.665 1.00 32.32 C ATOM 720 O TYR A 52 18.593 27.568 -9.582 1.00 25.22 O ATOM 721 CB TYR A 52 16.865 27.132 -11.690 1.00 24.31 C ATOM 722 CG TYR A 52 16.054 25.955 -11.196 1.00 40.31 C ATOM 723 CD1 TYR A 52 16.328 25.362 -9.970 1.00 43.30 C ATOM 724 CD2 TYR A 52 15.012 25.437 -11.956 1.00 1.42 C ATOM 725 CE1 TYR A 52 15.590 24.287 -9.516 1.00 30.14 C ATOM 726 CE2 TYR A 52 14.267 24.363 -11.509 1.00 4.14 C ATOM 727 CZ TYR A 52 14.561 23.791 -10.288 1.00 54.12 C ATOM 728 OH TYR A 52 13.822 22.721 -9.838 1.00 72.24 O ATOM 0 H TYR A 52 18.550 24.859 -11.150 1.00 73.44 H new ATOM 0 HA TYR A 52 18.719 27.317 -12.761 1.00 61.41 H new ATOM 0 HB2 TYR A 52 16.754 27.959 -10.989 1.00 24.31 H new ATOM 0 HB3 TYR A 52 16.460 27.467 -12.645 1.00 24.31 H new ATOM 0 HD1 TYR A 52 17.132 25.749 -9.361 1.00 43.30 H new ATOM 0 HD2 TYR A 52 14.781 25.882 -12.913 1.00 1.42 H new ATOM 0 HE1 TYR A 52 15.818 23.837 -8.561 1.00 30.14 H new ATOM 0 HE2 TYR A 52 13.460 23.973 -12.111 1.00 4.14 H new ATOM 0 HH TYR A 52 12.868 22.939 -9.886 1.00 72.24 H new ATOM 738 N PRO A 53 20.446 27.562 -10.863 1.00 62.02 N ATOM 739 CA PRO A 53 21.334 28.069 -9.813 1.00 0.22 C ATOM 740 C PRO A 53 21.050 29.527 -9.468 1.00 11.14 C ATOM 741 O PRO A 53 21.622 30.075 -8.526 1.00 50.14 O ATOM 742 CB PRO A 53 22.729 27.927 -10.428 1.00 15.22 C ATOM 743 CG PRO A 53 22.500 27.969 -11.899 1.00 74.12 C ATOM 744 CD PRO A 53 21.161 27.324 -12.129 1.00 32.25 C ATOM 0 HA PRO A 53 21.209 27.526 -8.876 1.00 0.22 H new ATOM 0 HB2 PRO A 53 23.387 28.734 -10.107 1.00 15.22 H new ATOM 0 HB3 PRO A 53 23.201 26.992 -10.127 1.00 15.22 H new ATOM 0 HG2 PRO A 53 22.507 28.995 -12.266 1.00 74.12 H new ATOM 0 HG3 PRO A 53 23.287 27.435 -12.432 1.00 74.12 H new ATOM 0 HD2 PRO A 53 20.640 27.771 -12.975 1.00 32.25 H new ATOM 0 HD3 PRO A 53 21.259 26.259 -12.341 1.00 32.25 H new ATOM 752 N GLY A 54 20.162 30.150 -10.236 1.00 54.31 N ATOM 753 CA GLY A 54 19.817 31.539 -9.995 1.00 2.30 C ATOM 754 C GLY A 54 18.683 31.691 -9.001 1.00 52.21 C ATOM 755 O GLY A 54 18.680 32.617 -8.189 1.00 40.02 O ATOM 0 H GLY A 54 19.675 29.718 -11.021 1.00 54.31 H new ATOM 0 HA2 GLY A 54 20.694 32.069 -9.624 1.00 2.30 H new ATOM 0 HA3 GLY A 54 19.535 32.009 -10.937 1.00 2.30 H new ATOM 759 N ILE A 55 17.716 30.782 -9.065 1.00 63.33 N ATOM 760 CA ILE A 55 16.571 30.820 -8.164 1.00 62.42 C ATOM 761 C ILE A 55 17.016 30.754 -6.707 1.00 70.51 C ATOM 762 O ILE A 55 18.209 30.793 -6.410 1.00 44.23 O ATOM 763 CB ILE A 55 15.596 29.661 -8.444 1.00 53.25 C ATOM 764 CG1 ILE A 55 16.258 28.319 -8.127 1.00 3.35 C ATOM 765 CG2 ILE A 55 15.131 29.699 -9.893 1.00 20.23 C ATOM 766 CD1 ILE A 55 15.467 27.469 -7.157 1.00 3.52 C ATOM 0 H ILE A 55 17.703 30.010 -9.732 1.00 63.33 H new ATOM 0 HA ILE A 55 16.060 31.766 -8.343 1.00 62.42 H new ATOM 0 HB ILE A 55 14.725 29.775 -7.799 1.00 53.25 H new ATOM 0 HG12 ILE A 55 16.397 27.764 -9.055 1.00 3.35 H new ATOM 0 HG13 ILE A 55 17.250 28.501 -7.713 1.00 3.35 H new ATOM 0 HG21 ILE A 55 14.443 28.874 -10.076 1.00 20.23 H new ATOM 0 HG22 ILE A 55 14.624 30.644 -10.088 1.00 20.23 H new ATOM 0 HG23 ILE A 55 15.993 29.606 -10.554 1.00 20.23 H new ATOM 0 HD11 ILE A 55 15.996 26.533 -6.979 1.00 3.52 H new ATOM 0 HD12 ILE A 55 15.350 28.005 -6.215 1.00 3.52 H new ATOM 0 HD13 ILE A 55 14.484 27.256 -7.578 1.00 3.52 H new ATOM 778 N GLU A 56 16.047 30.651 -5.802 1.00 63.24 N ATOM 779 CA GLU A 56 16.340 30.578 -4.376 1.00 0.02 C ATOM 780 C GLU A 56 15.462 29.533 -3.693 1.00 3.11 C ATOM 781 O GLU A 56 14.288 29.779 -3.417 1.00 74.40 O ATOM 782 CB GLU A 56 16.130 31.944 -3.719 1.00 43.11 C ATOM 783 CG GLU A 56 17.353 32.457 -2.978 1.00 3.32 C ATOM 784 CD GLU A 56 18.414 33.006 -3.912 1.00 51.51 C ATOM 785 OE1 GLU A 56 19.234 32.210 -4.414 1.00 30.55 O ATOM 786 OE2 GLU A 56 18.423 34.234 -4.142 1.00 1.11 O ATOM 0 H GLU A 56 15.054 30.616 -6.031 1.00 63.24 H new ATOM 0 HA GLU A 56 17.383 30.283 -4.260 1.00 0.02 H new ATOM 0 HB2 GLU A 56 15.850 32.667 -4.485 1.00 43.11 H new ATOM 0 HB3 GLU A 56 15.294 31.878 -3.022 1.00 43.11 H new ATOM 0 HG2 GLU A 56 17.049 33.238 -2.280 1.00 3.32 H new ATOM 0 HG3 GLU A 56 17.780 31.648 -2.385 1.00 3.32 H new ATOM 793 N ILE A 57 16.041 28.368 -3.424 1.00 72.50 N ATOM 794 CA ILE A 57 15.312 27.286 -2.773 1.00 62.34 C ATOM 795 C ILE A 57 15.851 27.026 -1.371 1.00 14.15 C ATOM 796 O ILE A 57 16.928 26.455 -1.205 1.00 0.41 O ATOM 797 CB ILE A 57 15.391 25.983 -3.591 1.00 21.44 C ATOM 798 CG1 ILE A 57 14.994 24.786 -2.723 1.00 43.23 C ATOM 799 CG2 ILE A 57 16.792 25.794 -4.153 1.00 51.45 C ATOM 800 CD1 ILE A 57 13.643 24.941 -2.062 1.00 13.21 C ATOM 0 H ILE A 57 17.012 28.149 -3.646 1.00 72.50 H new ATOM 0 HA ILE A 57 14.271 27.602 -2.707 1.00 62.34 H new ATOM 0 HB ILE A 57 14.692 26.052 -4.425 1.00 21.44 H new ATOM 0 HG12 ILE A 57 14.987 23.887 -3.339 1.00 43.23 H new ATOM 0 HG13 ILE A 57 15.751 24.639 -1.953 1.00 43.23 H new ATOM 0 HG21 ILE A 57 16.832 24.869 -4.728 1.00 51.45 H new ATOM 0 HG22 ILE A 57 17.041 26.635 -4.800 1.00 51.45 H new ATOM 0 HG23 ILE A 57 17.509 25.742 -3.334 1.00 51.45 H new ATOM 0 HD11 ILE A 57 13.427 24.056 -1.463 1.00 13.21 H new ATOM 0 HD12 ILE A 57 13.651 25.821 -1.419 1.00 13.21 H new ATOM 0 HD13 ILE A 57 12.875 25.058 -2.827 1.00 13.21 H new ATOM 812 N GLU A 58 15.092 27.448 -0.364 1.00 34.22 N ATOM 813 CA GLU A 58 15.493 27.260 1.025 1.00 31.44 C ATOM 814 C GLU A 58 14.650 26.177 1.693 1.00 31.02 C ATOM 815 O GLU A 58 13.807 25.548 1.053 1.00 10.51 O ATOM 816 CB GLU A 58 15.362 28.573 1.800 1.00 65.05 C ATOM 817 CG GLU A 58 16.392 29.618 1.403 1.00 54.12 C ATOM 818 CD GLU A 58 15.883 31.035 1.583 1.00 51.35 C ATOM 819 OE1 GLU A 58 14.776 31.203 2.135 1.00 10.42 O ATOM 820 OE2 GLU A 58 16.593 31.976 1.170 1.00 10.43 O ATOM 0 H GLU A 58 14.197 27.922 -0.484 1.00 34.22 H new ATOM 0 HA GLU A 58 16.536 26.943 1.035 1.00 31.44 H new ATOM 0 HB2 GLU A 58 14.363 28.981 1.642 1.00 65.05 H new ATOM 0 HB3 GLU A 58 15.457 28.367 2.866 1.00 65.05 H new ATOM 0 HG2 GLU A 58 17.293 29.481 2.001 1.00 54.12 H new ATOM 0 HG3 GLU A 58 16.675 29.467 0.361 1.00 54.12 H new ATOM 827 N SER A 59 14.885 25.965 2.984 1.00 33.32 N ATOM 828 CA SER A 59 14.151 24.955 3.739 1.00 51.52 C ATOM 829 C SER A 59 13.906 25.420 5.171 1.00 35.12 C ATOM 830 O SER A 59 14.846 25.707 5.912 1.00 50.42 O ATOM 831 CB SER A 59 14.920 23.633 3.744 1.00 30.01 C ATOM 832 OG SER A 59 16.234 23.809 4.246 1.00 75.12 O ATOM 0 H SER A 59 15.577 26.479 3.529 1.00 33.32 H new ATOM 0 HA SER A 59 13.186 24.804 3.254 1.00 51.52 H new ATOM 0 HB2 SER A 59 14.389 22.902 4.354 1.00 30.01 H new ATOM 0 HB3 SER A 59 14.965 23.231 2.732 1.00 30.01 H new ATOM 0 HG SER A 59 16.213 24.426 5.007 1.00 75.12 H new ATOM 838 N ARG A 60 12.635 25.491 5.554 1.00 32.30 N ATOM 839 CA ARG A 60 12.264 25.921 6.897 1.00 43.22 C ATOM 840 C ARG A 60 11.432 24.853 7.600 1.00 53.12 C ATOM 841 O ARG A 60 10.677 24.118 6.961 1.00 42.52 O ATOM 842 CB ARG A 60 11.483 27.235 6.837 1.00 73.13 C ATOM 843 CG ARG A 60 11.390 27.950 8.175 1.00 74.13 C ATOM 844 CD ARG A 60 10.577 29.231 8.066 1.00 21.25 C ATOM 845 NE ARG A 60 11.213 30.210 7.189 1.00 72.32 N ATOM 846 CZ ARG A 60 10.574 31.248 6.662 1.00 50.34 C ATOM 847 NH1 ARG A 60 9.289 31.442 6.922 1.00 14.25 N ATOM 848 NH2 ARG A 60 11.221 32.096 5.872 1.00 23.20 N ATOM 0 H ARG A 60 11.845 25.256 4.953 1.00 32.30 H new ATOM 0 HA ARG A 60 13.180 26.076 7.468 1.00 43.22 H new ATOM 0 HB2 ARG A 60 11.958 27.897 6.113 1.00 73.13 H new ATOM 0 HB3 ARG A 60 10.476 27.033 6.472 1.00 73.13 H new ATOM 0 HG2 ARG A 60 10.933 27.289 8.911 1.00 74.13 H new ATOM 0 HG3 ARG A 60 12.392 28.183 8.535 1.00 74.13 H new ATOM 0 HD2 ARG A 60 9.582 28.998 7.687 1.00 21.25 H new ATOM 0 HD3 ARG A 60 10.447 29.663 9.058 1.00 21.25 H new ATOM 0 HE ARG A 60 12.202 30.090 6.969 1.00 72.32 H new ATOM 0 HH11 ARG A 60 8.788 30.793 7.529 1.00 14.25 H new ATOM 0 HH12 ARG A 60 8.801 32.240 6.516 1.00 14.25 H new ATOM 0 HH21 ARG A 60 12.210 31.951 5.669 1.00 23.20 H new ATOM 0 HH22 ARG A 60 10.729 32.893 5.468 1.00 23.20 H new ATOM 862 N LEU A 61 11.574 24.772 8.918 1.00 1.20 N ATOM 863 CA LEU A 61 10.836 23.794 9.709 1.00 74.43 C ATOM 864 C LEU A 61 9.345 23.849 9.390 1.00 10.53 C ATOM 865 O LEU A 61 8.875 24.777 8.732 1.00 34.54 O ATOM 866 CB LEU A 61 11.060 24.041 11.201 1.00 14.25 C ATOM 867 CG LEU A 61 12.047 23.103 11.897 1.00 75.21 C ATOM 868 CD1 LEU A 61 13.474 23.593 11.706 1.00 34.23 C ATOM 869 CD2 LEU A 61 11.715 22.982 13.377 1.00 2.32 C ATOM 0 H LEU A 61 12.194 25.372 9.462 1.00 1.20 H new ATOM 0 HA LEU A 61 11.207 22.802 9.452 1.00 74.43 H new ATOM 0 HB2 LEU A 61 11.410 25.065 11.331 1.00 14.25 H new ATOM 0 HB3 LEU A 61 10.099 23.966 11.709 1.00 14.25 H new ATOM 0 HG LEU A 61 11.961 22.115 11.445 1.00 75.21 H new ATOM 0 HD11 LEU A 61 14.162 22.913 12.208 1.00 34.23 H new ATOM 0 HD12 LEU A 61 13.708 23.626 10.642 1.00 34.23 H new ATOM 0 HD13 LEU A 61 13.576 24.592 12.131 1.00 34.23 H new ATOM 0 HD21 LEU A 61 12.428 22.311 13.856 1.00 2.32 H new ATOM 0 HD22 LEU A 61 11.772 23.965 13.844 1.00 2.32 H new ATOM 0 HD23 LEU A 61 10.707 22.583 13.492 1.00 2.32 H new ATOM 881 N GLY A 62 8.606 22.851 9.864 1.00 32.21 N ATOM 882 CA GLY A 62 7.176 22.807 9.621 1.00 33.54 C ATOM 883 C GLY A 62 6.379 22.588 10.892 1.00 75.30 C ATOM 884 O GLY A 62 5.528 23.402 11.247 1.00 11.25 O ATOM 0 H GLY A 62 8.972 22.072 10.412 1.00 32.21 H new ATOM 0 HA2 GLY A 62 6.861 23.740 9.154 1.00 33.54 H new ATOM 0 HA3 GLY A 62 6.955 22.007 8.915 1.00 33.54 H new ATOM 888 N GLY A 63 6.653 21.482 11.578 1.00 0.43 N ATOM 889 CA GLY A 63 5.945 21.178 12.808 1.00 62.30 C ATOM 890 C GLY A 63 6.182 19.755 13.276 1.00 55.41 C ATOM 891 O GLY A 63 6.746 19.531 14.347 1.00 15.35 O ATOM 0 H GLY A 63 7.352 20.792 11.304 1.00 0.43 H new ATOM 0 HA2 GLY A 63 6.262 21.871 13.587 1.00 62.30 H new ATOM 0 HA3 GLY A 63 4.877 21.335 12.657 1.00 62.30 H new ATOM 895 N THR A 64 5.748 18.790 12.472 1.00 71.43 N ATOM 896 CA THR A 64 5.913 17.382 12.810 1.00 35.33 C ATOM 897 C THR A 64 5.636 16.490 11.605 1.00 41.30 C ATOM 898 O THR A 64 4.486 16.302 11.211 1.00 60.41 O ATOM 899 CB THR A 64 4.980 16.969 13.965 1.00 71.35 C ATOM 900 OG1 THR A 64 4.002 17.989 14.194 1.00 42.54 O ATOM 901 CG2 THR A 64 5.773 16.723 15.240 1.00 53.55 C ATOM 0 H THR A 64 5.279 18.958 11.582 1.00 71.43 H new ATOM 0 HA THR A 64 6.949 17.252 13.124 1.00 35.33 H new ATOM 0 HB THR A 64 4.479 16.043 13.684 1.00 71.35 H new ATOM 0 HG1 THR A 64 3.412 17.718 14.928 1.00 42.54 H new ATOM 0 HG21 THR A 64 5.093 16.433 16.041 1.00 53.55 H new ATOM 0 HG22 THR A 64 6.496 15.925 15.071 1.00 53.55 H new ATOM 0 HG23 THR A 64 6.299 17.635 15.523 1.00 53.55 H new ATOM 909 N GLY A 65 6.699 15.943 11.023 1.00 40.11 N ATOM 910 CA GLY A 65 6.549 15.077 9.868 1.00 11.21 C ATOM 911 C GLY A 65 5.711 15.709 8.774 1.00 10.35 C ATOM 912 O GLY A 65 4.628 15.222 8.453 1.00 32.31 O ATOM 0 H GLY A 65 7.661 16.084 11.331 1.00 40.11 H new ATOM 0 HA2 GLY A 65 7.534 14.832 9.471 1.00 11.21 H new ATOM 0 HA3 GLY A 65 6.088 14.139 10.178 1.00 11.21 H new ATOM 916 N ALA A 66 6.212 16.799 8.202 1.00 3.03 N ATOM 917 CA ALA A 66 5.503 17.499 7.138 1.00 33.54 C ATOM 918 C ALA A 66 6.375 17.638 5.896 1.00 44.02 C ATOM 919 O ALA A 66 7.565 17.321 5.922 1.00 50.54 O ATOM 920 CB ALA A 66 5.045 18.867 7.621 1.00 52.14 C ATOM 0 H ALA A 66 7.107 17.217 8.458 1.00 3.03 H new ATOM 0 HA ALA A 66 4.627 16.909 6.869 1.00 33.54 H new ATOM 0 HB1 ALA A 66 4.517 19.379 6.816 1.00 52.14 H new ATOM 0 HB2 ALA A 66 4.378 18.747 8.474 1.00 52.14 H new ATOM 0 HB3 ALA A 66 5.912 19.457 7.919 1.00 52.14 H new ATOM 926 N PHE A 67 5.777 18.113 4.808 1.00 21.04 N ATOM 927 CA PHE A 67 6.500 18.293 3.555 1.00 70.32 C ATOM 928 C PHE A 67 5.790 19.303 2.658 1.00 63.53 C ATOM 929 O PHE A 67 5.705 19.117 1.444 1.00 34.03 O ATOM 930 CB PHE A 67 6.639 16.955 2.825 1.00 30.24 C ATOM 931 CG PHE A 67 7.889 16.849 1.999 1.00 0.44 C ATOM 932 CD1 PHE A 67 9.110 16.580 2.597 1.00 34.02 C ATOM 933 CD2 PHE A 67 7.844 17.020 0.625 1.00 14.41 C ATOM 934 CE1 PHE A 67 10.262 16.482 1.840 1.00 32.00 C ATOM 935 CE2 PHE A 67 8.992 16.923 -0.137 1.00 43.12 C ATOM 936 CZ PHE A 67 10.203 16.655 0.471 1.00 20.21 C ATOM 0 H PHE A 67 4.793 18.380 4.769 1.00 21.04 H new ATOM 0 HA PHE A 67 7.493 18.676 3.789 1.00 70.32 H new ATOM 0 HB2 PHE A 67 6.628 16.148 3.557 1.00 30.24 H new ATOM 0 HB3 PHE A 67 5.773 16.811 2.179 1.00 30.24 H new ATOM 0 HD1 PHE A 67 9.162 16.445 3.667 1.00 34.02 H new ATOM 0 HD2 PHE A 67 6.900 17.232 0.144 1.00 14.41 H new ATOM 0 HE1 PHE A 67 11.207 16.270 2.318 1.00 32.00 H new ATOM 0 HE2 PHE A 67 8.943 17.057 -1.208 1.00 43.12 H new ATOM 0 HZ PHE A 67 11.102 16.581 -0.123 1.00 20.21 H new ATOM 946 N GLU A 68 5.283 20.371 3.265 1.00 71.20 N ATOM 947 CA GLU A 68 4.579 21.409 2.521 1.00 4.23 C ATOM 948 C GLU A 68 5.545 22.194 1.637 1.00 35.13 C ATOM 949 O GLU A 68 6.442 22.876 2.133 1.00 30.11 O ATOM 950 CB GLU A 68 3.863 22.360 3.483 1.00 65.00 C ATOM 951 CG GLU A 68 2.708 21.715 4.229 1.00 30.43 C ATOM 952 CD GLU A 68 1.995 22.684 5.152 1.00 3.10 C ATOM 953 OE1 GLU A 68 2.399 23.865 5.197 1.00 40.23 O ATOM 954 OE2 GLU A 68 1.035 22.262 5.829 1.00 11.43 O ATOM 0 H GLU A 68 5.346 20.540 4.269 1.00 71.20 H new ATOM 0 HA GLU A 68 3.840 20.925 1.882 1.00 4.23 H new ATOM 0 HB2 GLU A 68 4.583 22.742 4.206 1.00 65.00 H new ATOM 0 HB3 GLU A 68 3.489 23.217 2.922 1.00 65.00 H new ATOM 0 HG2 GLU A 68 1.995 21.313 3.509 1.00 30.43 H new ATOM 0 HG3 GLU A 68 3.082 20.873 4.811 1.00 30.43 H new ATOM 961 N ILE A 69 5.353 22.091 0.326 1.00 1.55 N ATOM 962 CA ILE A 69 6.206 22.791 -0.626 1.00 55.45 C ATOM 963 C ILE A 69 5.662 24.183 -0.931 1.00 5.54 C ATOM 964 O ILE A 69 4.457 24.368 -1.093 1.00 33.23 O ATOM 965 CB ILE A 69 6.340 22.006 -1.944 1.00 71.23 C ATOM 966 CG1 ILE A 69 6.893 20.605 -1.674 1.00 43.13 C ATOM 967 CG2 ILE A 69 7.235 22.756 -2.919 1.00 41.12 C ATOM 968 CD1 ILE A 69 6.008 19.495 -2.195 1.00 71.14 C ATOM 0 H ILE A 69 4.615 21.530 -0.100 1.00 1.55 H new ATOM 0 HA ILE A 69 7.189 22.880 -0.163 1.00 55.45 H new ATOM 0 HB ILE A 69 5.352 21.906 -2.392 1.00 71.23 H new ATOM 0 HG12 ILE A 69 7.878 20.518 -2.132 1.00 43.13 H new ATOM 0 HG13 ILE A 69 7.028 20.477 -0.600 1.00 43.13 H new ATOM 0 HG21 ILE A 69 7.320 22.188 -3.846 1.00 41.12 H new ATOM 0 HG22 ILE A 69 6.803 23.734 -3.131 1.00 41.12 H new ATOM 0 HG23 ILE A 69 8.224 22.884 -2.480 1.00 41.12 H new ATOM 0 HD11 ILE A 69 6.462 18.531 -1.968 1.00 71.14 H new ATOM 0 HD12 ILE A 69 5.029 19.556 -1.719 1.00 71.14 H new ATOM 0 HD13 ILE A 69 5.893 19.597 -3.274 1.00 71.14 H new ATOM 980 N GLU A 70 6.562 25.160 -1.008 1.00 74.33 N ATOM 981 CA GLU A 70 6.172 26.535 -1.294 1.00 53.34 C ATOM 982 C GLU A 70 6.981 27.099 -2.459 1.00 10.22 C ATOM 983 O GLU A 70 8.084 27.613 -2.270 1.00 62.23 O ATOM 984 CB GLU A 70 6.363 27.411 -0.055 1.00 11.45 C ATOM 985 CG GLU A 70 5.468 27.022 1.110 1.00 70.21 C ATOM 986 CD GLU A 70 5.525 28.021 2.249 1.00 21.23 C ATOM 987 OE1 GLU A 70 6.640 28.474 2.585 1.00 34.41 O ATOM 988 OE2 GLU A 70 4.456 28.350 2.805 1.00 24.50 O ATOM 0 H GLU A 70 7.564 25.024 -0.876 1.00 74.33 H new ATOM 0 HA GLU A 70 5.118 26.536 -1.572 1.00 53.34 H new ATOM 0 HB2 GLU A 70 7.404 27.354 0.263 1.00 11.45 H new ATOM 0 HB3 GLU A 70 6.167 28.450 -0.321 1.00 11.45 H new ATOM 0 HG2 GLU A 70 4.440 26.935 0.760 1.00 70.21 H new ATOM 0 HG3 GLU A 70 5.764 26.040 1.478 1.00 70.21 H new ATOM 995 N ILE A 71 6.425 26.999 -3.661 1.00 70.24 N ATOM 996 CA ILE A 71 7.094 27.499 -4.856 1.00 21.21 C ATOM 997 C ILE A 71 7.312 29.006 -4.774 1.00 23.23 C ATOM 998 O ILE A 71 8.273 29.535 -5.330 1.00 4.22 O ATOM 999 CB ILE A 71 6.289 27.177 -6.129 1.00 31.23 C ATOM 1000 CG1 ILE A 71 7.103 27.526 -7.376 1.00 5.42 C ATOM 1001 CG2 ILE A 71 4.967 27.930 -6.124 1.00 43.31 C ATOM 1002 CD1 ILE A 71 8.262 26.586 -7.624 1.00 3.32 C ATOM 0 H ILE A 71 5.513 26.576 -3.834 1.00 70.24 H new ATOM 0 HA ILE A 71 8.060 26.997 -4.910 1.00 21.21 H new ATOM 0 HB ILE A 71 6.076 26.108 -6.146 1.00 31.23 H new ATOM 0 HG12 ILE A 71 6.445 27.515 -8.245 1.00 5.42 H new ATOM 0 HG13 ILE A 71 7.485 28.542 -7.278 1.00 5.42 H new ATOM 0 HG21 ILE A 71 4.409 27.692 -7.030 1.00 43.31 H new ATOM 0 HG22 ILE A 71 4.384 27.636 -5.251 1.00 43.31 H new ATOM 0 HG23 ILE A 71 5.159 29.002 -6.087 1.00 43.31 H new ATOM 0 HD11 ILE A 71 8.794 26.894 -8.524 1.00 3.32 H new ATOM 0 HD12 ILE A 71 8.942 26.614 -6.773 1.00 3.32 H new ATOM 0 HD13 ILE A 71 7.886 25.571 -7.754 1.00 3.32 H new ATOM 1014 N ASN A 72 6.414 29.691 -4.074 1.00 53.01 N ATOM 1015 CA ASN A 72 6.508 31.138 -3.917 1.00 65.14 C ATOM 1016 C ASN A 72 6.281 31.544 -2.464 1.00 75.25 C ATOM 1017 O ASN A 72 5.668 32.574 -2.185 1.00 61.44 O ATOM 1018 CB ASN A 72 5.490 31.837 -4.820 1.00 0.32 C ATOM 1019 CG ASN A 72 6.073 32.211 -6.169 1.00 63.40 C ATOM 1020 OD1 ASN A 72 6.173 33.389 -6.510 1.00 1.30 O ATOM 1021 ND2 ASN A 72 6.462 31.205 -6.944 1.00 73.32 N ATOM 0 H ASN A 72 5.613 29.267 -3.606 1.00 53.01 H new ATOM 0 HA ASN A 72 7.512 31.446 -4.208 1.00 65.14 H new ATOM 0 HB2 ASN A 72 4.630 31.183 -4.968 1.00 0.32 H new ATOM 0 HB3 ASN A 72 5.125 32.736 -4.323 1.00 0.32 H new ATOM 0 HD21 ASN A 72 6.863 31.394 -7.863 1.00 73.32 H new ATOM 0 HD22 ASN A 72 6.360 30.243 -6.620 1.00 73.32 H new ATOM 1028 N GLY A 73 6.779 30.726 -1.542 1.00 10.21 N ATOM 1029 CA GLY A 73 6.620 31.017 -0.129 1.00 50.10 C ATOM 1030 C GLY A 73 5.259 30.608 0.397 1.00 14.25 C ATOM 1031 O GLY A 73 4.999 30.696 1.597 1.00 31.32 O ATOM 0 H GLY A 73 7.290 29.867 -1.748 1.00 10.21 H new ATOM 0 HA2 GLY A 73 7.395 30.498 0.435 1.00 50.10 H new ATOM 0 HA3 GLY A 73 6.765 32.084 0.038 1.00 50.10 H new ATOM 1035 N GLN A 74 4.388 30.162 -0.502 1.00 15.31 N ATOM 1036 CA GLN A 74 3.045 29.741 -0.121 1.00 13.14 C ATOM 1037 C GLN A 74 2.790 28.295 -0.533 1.00 22.14 C ATOM 1038 O GLN A 74 3.322 27.822 -1.538 1.00 23.23 O ATOM 1039 CB GLN A 74 1.999 30.657 -0.759 1.00 44.33 C ATOM 1040 CG GLN A 74 2.108 32.107 -0.315 1.00 43.02 C ATOM 1041 CD GLN A 74 1.304 33.048 -1.191 1.00 32.44 C ATOM 1042 OE1 GLN A 74 1.811 34.069 -1.654 1.00 42.31 O ATOM 1043 NE2 GLN A 74 0.041 32.707 -1.422 1.00 24.11 N ATOM 0 H GLN A 74 4.588 30.083 -1.499 1.00 15.31 H new ATOM 0 HA GLN A 74 2.965 29.810 0.964 1.00 13.14 H new ATOM 0 HB2 GLN A 74 2.099 30.609 -1.843 1.00 44.33 H new ATOM 0 HB3 GLN A 74 1.004 30.285 -0.514 1.00 44.33 H new ATOM 0 HG2 GLN A 74 1.765 32.194 0.716 1.00 43.02 H new ATOM 0 HG3 GLN A 74 3.155 32.409 -0.329 1.00 43.02 H new ATOM 0 HE21 GLN A 74 -0.338 31.851 -1.018 1.00 24.11 H new ATOM 0 HE22 GLN A 74 -0.549 33.301 -2.004 1.00 24.11 H new ATOM 1052 N LEU A 75 1.974 27.597 0.250 1.00 43.13 N ATOM 1053 CA LEU A 75 1.649 26.203 -0.033 1.00 41.44 C ATOM 1054 C LEU A 75 0.954 26.070 -1.384 1.00 52.25 C ATOM 1055 O LEU A 75 -0.101 26.663 -1.613 1.00 21.31 O ATOM 1056 CB LEU A 75 0.757 25.633 1.071 1.00 61.15 C ATOM 1057 CG LEU A 75 0.412 24.148 0.954 1.00 21.23 C ATOM 1058 CD1 LEU A 75 1.669 23.298 1.062 1.00 34.13 C ATOM 1059 CD2 LEU A 75 -0.597 23.750 2.022 1.00 62.54 C ATOM 0 H LEU A 75 1.526 27.973 1.085 1.00 43.13 H new ATOM 0 HA LEU A 75 2.580 25.638 -0.067 1.00 41.44 H new ATOM 0 HB2 LEU A 75 1.249 25.797 2.029 1.00 61.15 H new ATOM 0 HB3 LEU A 75 -0.173 26.201 1.089 1.00 61.15 H new ATOM 0 HG LEU A 75 -0.036 23.974 -0.024 1.00 21.23 H new ATOM 0 HD11 LEU A 75 1.404 22.244 0.977 1.00 34.13 H new ATOM 0 HD12 LEU A 75 2.359 23.565 0.261 1.00 34.13 H new ATOM 0 HD13 LEU A 75 2.146 23.475 2.026 1.00 34.13 H new ATOM 0 HD21 LEU A 75 -0.831 22.690 1.924 1.00 62.54 H new ATOM 0 HD22 LEU A 75 -0.175 23.939 3.009 1.00 62.54 H new ATOM 0 HD23 LEU A 75 -1.508 24.336 1.898 1.00 62.54 H new ATOM 1071 N VAL A 76 1.551 25.286 -2.277 1.00 12.42 N ATOM 1072 CA VAL A 76 0.987 25.072 -3.604 1.00 44.24 C ATOM 1073 C VAL A 76 0.640 23.604 -3.824 1.00 4.02 C ATOM 1074 O VAL A 76 -0.248 23.276 -4.611 1.00 21.34 O ATOM 1075 CB VAL A 76 1.961 25.529 -4.707 1.00 73.35 C ATOM 1076 CG1 VAL A 76 1.356 25.295 -6.084 1.00 0.15 C ATOM 1077 CG2 VAL A 76 2.330 26.992 -4.520 1.00 14.54 C ATOM 0 H VAL A 76 2.425 24.789 -2.105 1.00 12.42 H new ATOM 0 HA VAL A 76 0.077 25.669 -3.662 1.00 44.24 H new ATOM 0 HB VAL A 76 2.872 24.936 -4.631 1.00 73.35 H new ATOM 0 HG11 VAL A 76 2.058 25.624 -6.850 1.00 0.15 H new ATOM 0 HG12 VAL A 76 1.148 24.233 -6.214 1.00 0.15 H new ATOM 0 HG13 VAL A 76 0.429 25.861 -6.175 1.00 0.15 H new ATOM 0 HG21 VAL A 76 3.018 27.297 -5.308 1.00 14.54 H new ATOM 0 HG22 VAL A 76 1.429 27.604 -4.568 1.00 14.54 H new ATOM 0 HG23 VAL A 76 2.807 27.126 -3.549 1.00 14.54 H new ATOM 1087 N PHE A 77 1.347 22.724 -3.122 1.00 72.45 N ATOM 1088 CA PHE A 77 1.114 21.289 -3.241 1.00 20.15 C ATOM 1089 C PHE A 77 1.583 20.557 -1.986 1.00 71.25 C ATOM 1090 O PHE A 77 2.753 20.193 -1.868 1.00 32.00 O ATOM 1091 CB PHE A 77 1.836 20.733 -4.469 1.00 65.14 C ATOM 1092 CG PHE A 77 1.118 21.003 -5.760 1.00 71.14 C ATOM 1093 CD1 PHE A 77 -0.141 20.472 -5.992 1.00 64.24 C ATOM 1094 CD2 PHE A 77 1.701 21.788 -6.742 1.00 62.53 C ATOM 1095 CE1 PHE A 77 -0.805 20.719 -7.179 1.00 62.41 C ATOM 1096 CE2 PHE A 77 1.042 22.038 -7.931 1.00 13.13 C ATOM 1097 CZ PHE A 77 -0.212 21.502 -8.150 1.00 13.00 C ATOM 0 H PHE A 77 2.085 22.979 -2.466 1.00 72.45 H new ATOM 0 HA PHE A 77 0.042 21.128 -3.356 1.00 20.15 H new ATOM 0 HB2 PHE A 77 2.835 21.166 -4.521 1.00 65.14 H new ATOM 0 HB3 PHE A 77 1.961 19.657 -4.350 1.00 65.14 H new ATOM 0 HD1 PHE A 77 -0.609 19.858 -5.237 1.00 64.24 H new ATOM 0 HD2 PHE A 77 2.682 22.209 -6.576 1.00 62.53 H new ATOM 0 HE1 PHE A 77 -1.786 20.300 -7.347 1.00 62.41 H new ATOM 0 HE2 PHE A 77 1.507 22.652 -8.688 1.00 13.13 H new ATOM 0 HZ PHE A 77 -0.728 21.695 -9.079 1.00 13.00 H new ATOM 1107 N SER A 78 0.661 20.345 -1.053 1.00 0.14 N ATOM 1108 CA SER A 78 0.980 19.661 0.195 1.00 72.31 C ATOM 1109 C SER A 78 1.151 18.162 -0.036 1.00 14.32 C ATOM 1110 O SER A 78 0.454 17.565 -0.857 1.00 23.11 O ATOM 1111 CB SER A 78 -0.118 19.907 1.231 1.00 33.23 C ATOM 1112 OG SER A 78 0.222 20.982 2.090 1.00 61.34 O ATOM 0 H SER A 78 -0.313 20.637 -1.137 1.00 0.14 H new ATOM 0 HA SER A 78 1.921 20.063 0.571 1.00 72.31 H new ATOM 0 HB2 SER A 78 -1.058 20.126 0.724 1.00 33.23 H new ATOM 0 HB3 SER A 78 -0.276 19.003 1.820 1.00 33.23 H new ATOM 0 HG SER A 78 -0.384 20.990 2.860 1.00 61.34 H new ATOM 1118 N LYS A 79 2.083 17.560 0.695 1.00 14.11 N ATOM 1119 CA LYS A 79 2.346 16.131 0.573 1.00 4.22 C ATOM 1120 C LYS A 79 1.538 15.339 1.596 1.00 52.50 C ATOM 1121 O LYS A 79 0.956 14.302 1.274 1.00 2.44 O ATOM 1122 CB LYS A 79 3.839 15.850 0.759 1.00 61.41 C ATOM 1123 CG LYS A 79 4.274 14.497 0.222 1.00 3.02 C ATOM 1124 CD LYS A 79 5.311 13.847 1.123 1.00 32.21 C ATOM 1125 CE LYS A 79 5.245 12.329 1.043 1.00 2.34 C ATOM 1126 NZ LYS A 79 4.030 11.791 1.714 1.00 33.33 N ATOM 0 H LYS A 79 2.669 18.040 1.378 1.00 14.11 H new ATOM 0 HA LYS A 79 2.044 15.815 -0.425 1.00 4.22 H new ATOM 0 HB2 LYS A 79 4.412 16.631 0.260 1.00 61.41 H new ATOM 0 HB3 LYS A 79 4.081 15.906 1.820 1.00 61.41 H new ATOM 0 HG2 LYS A 79 3.406 13.843 0.134 1.00 3.02 H new ATOM 0 HG3 LYS A 79 4.685 14.617 -0.780 1.00 3.02 H new ATOM 0 HD2 LYS A 79 6.307 14.185 0.836 1.00 32.21 H new ATOM 0 HD3 LYS A 79 5.151 14.166 2.153 1.00 32.21 H new ATOM 0 HE2 LYS A 79 5.250 12.020 -0.002 1.00 2.34 H new ATOM 0 HE3 LYS A 79 6.135 11.902 1.506 1.00 2.34 H new ATOM 0 HZ1 LYS A 79 4.168 10.782 1.925 1.00 33.33 H new ATOM 0 HZ2 LYS A 79 3.864 12.310 2.600 1.00 33.33 H new ATOM 0 HZ3 LYS A 79 3.208 11.904 1.087 1.00 33.33 H new ATOM 1140 N LEU A 80 1.504 15.835 2.828 1.00 31.11 N ATOM 1141 CA LEU A 80 0.765 15.174 3.898 1.00 13.33 C ATOM 1142 C LEU A 80 -0.694 14.965 3.504 1.00 62.32 C ATOM 1143 O LEU A 80 -1.369 14.083 4.034 1.00 40.12 O ATOM 1144 CB LEU A 80 0.844 15.999 5.184 1.00 54.30 C ATOM 1145 CG LEU A 80 1.971 15.631 6.149 1.00 12.34 C ATOM 1146 CD1 LEU A 80 1.600 14.398 6.958 1.00 71.43 C ATOM 1147 CD2 LEU A 80 3.270 15.403 5.390 1.00 11.24 C ATOM 0 H LEU A 80 1.979 16.692 3.111 1.00 31.11 H new ATOM 0 HA LEU A 80 1.219 14.198 4.070 1.00 13.33 H new ATOM 0 HB2 LEU A 80 0.954 17.049 4.912 1.00 54.30 H new ATOM 0 HB3 LEU A 80 -0.105 15.904 5.712 1.00 54.30 H new ATOM 0 HG LEU A 80 2.118 16.462 6.839 1.00 12.34 H new ATOM 0 HD11 LEU A 80 2.414 14.151 7.639 1.00 71.43 H new ATOM 0 HD12 LEU A 80 0.695 14.598 7.532 1.00 71.43 H new ATOM 0 HD13 LEU A 80 1.424 13.560 6.284 1.00 71.43 H new ATOM 0 HD21 LEU A 80 4.061 15.142 6.093 1.00 11.24 H new ATOM 0 HD22 LEU A 80 3.136 14.590 4.676 1.00 11.24 H new ATOM 0 HD23 LEU A 80 3.544 16.313 4.857 1.00 11.24 H new ATOM 1159 N GLU A 81 -1.172 15.780 2.569 1.00 63.03 N ATOM 1160 CA GLU A 81 -2.550 15.682 2.103 1.00 41.13 C ATOM 1161 C GLU A 81 -2.629 14.891 0.800 1.00 42.30 C ATOM 1162 O GLU A 81 -3.367 13.912 0.700 1.00 65.10 O ATOM 1163 CB GLU A 81 -3.144 17.078 1.902 1.00 71.33 C ATOM 1164 CG GLU A 81 -2.777 18.060 3.001 1.00 22.34 C ATOM 1165 CD GLU A 81 -3.314 17.645 4.357 1.00 24.55 C ATOM 1166 OE1 GLU A 81 -4.507 17.284 4.438 1.00 42.54 O ATOM 1167 OE2 GLU A 81 -2.541 17.680 5.338 1.00 33.30 O ATOM 0 H GLU A 81 -0.626 16.515 2.120 1.00 63.03 H new ATOM 0 HA GLU A 81 -3.127 15.155 2.863 1.00 41.13 H new ATOM 0 HB2 GLU A 81 -2.804 17.474 0.945 1.00 71.33 H new ATOM 0 HB3 GLU A 81 -4.230 16.997 1.846 1.00 71.33 H new ATOM 0 HG2 GLU A 81 -1.692 18.149 3.056 1.00 22.34 H new ATOM 0 HG3 GLU A 81 -3.166 19.046 2.747 1.00 22.34 H new ATOM 1174 N ASN A 82 -1.863 15.325 -0.196 1.00 30.00 N ATOM 1175 CA ASN A 82 -1.847 14.659 -1.493 1.00 64.03 C ATOM 1176 C ASN A 82 -1.591 13.163 -1.334 1.00 2.42 C ATOM 1177 O ASN A 82 -2.308 12.337 -1.896 1.00 31.23 O ATOM 1178 CB ASN A 82 -0.776 15.278 -2.394 1.00 64.30 C ATOM 1179 CG ASN A 82 -0.674 14.578 -3.736 1.00 11.32 C ATOM 1180 OD1 ASN A 82 0.422 14.294 -4.218 1.00 61.54 O ATOM 1181 ND2 ASN A 82 -1.820 14.298 -4.345 1.00 53.42 N ATOM 0 H ASN A 82 -1.246 16.134 -0.130 1.00 30.00 H new ATOM 0 HA ASN A 82 -2.825 14.795 -1.955 1.00 64.03 H new ATOM 0 HB2 ASN A 82 -1.004 16.332 -2.553 1.00 64.30 H new ATOM 0 HB3 ASN A 82 0.189 15.233 -1.890 1.00 64.30 H new ATOM 0 HD21 ASN A 82 -1.815 13.828 -5.250 1.00 53.42 H new ATOM 0 HD22 ASN A 82 -2.706 14.552 -3.907 1.00 53.42 H new ATOM 1188 N GLY A 83 -0.563 12.823 -0.562 1.00 44.14 N ATOM 1189 CA GLY A 83 -0.230 11.428 -0.342 1.00 34.21 C ATOM 1190 C GLY A 83 0.893 10.950 -1.241 1.00 1.34 C ATOM 1191 O GLY A 83 0.924 9.788 -1.643 1.00 3.20 O ATOM 0 H GLY A 83 0.045 13.489 -0.085 1.00 44.14 H new ATOM 0 HA2 GLY A 83 0.058 11.287 0.700 1.00 34.21 H new ATOM 0 HA3 GLY A 83 -1.115 10.815 -0.514 1.00 34.21 H new ATOM 1236 N TYR A 87 7.783 15.633 -8.142 1.00 30.42 N ATOM 1237 CA TYR A 87 8.815 15.130 -9.041 1.00 73.22 C ATOM 1238 C TYR A 87 9.645 16.275 -9.613 1.00 14.33 C ATOM 1239 O TYR A 87 9.263 17.441 -9.515 1.00 11.01 O ATOM 1240 CB TYR A 87 8.182 14.327 -10.179 1.00 31.42 C ATOM 1241 CG TYR A 87 7.329 13.172 -9.703 1.00 42.05 C ATOM 1242 CD1 TYR A 87 6.016 13.373 -9.297 1.00 2.55 C ATOM 1243 CD2 TYR A 87 7.837 11.879 -9.662 1.00 53.14 C ATOM 1244 CE1 TYR A 87 5.234 12.322 -8.861 1.00 20.51 C ATOM 1245 CE2 TYR A 87 7.061 10.821 -9.230 1.00 23.24 C ATOM 1246 CZ TYR A 87 5.761 11.047 -8.829 1.00 51.24 C ATOM 1247 OH TYR A 87 4.984 9.996 -8.397 1.00 45.44 O ATOM 0 HA TYR A 87 9.474 14.478 -8.468 1.00 73.22 H new ATOM 0 HB2 TYR A 87 7.570 14.994 -10.786 1.00 31.42 H new ATOM 0 HB3 TYR A 87 8.972 13.943 -10.825 1.00 31.42 H new ATOM 0 HD1 TYR A 87 5.599 14.369 -9.323 1.00 2.55 H new ATOM 0 HD2 TYR A 87 8.855 11.698 -9.973 1.00 53.14 H new ATOM 0 HE1 TYR A 87 4.216 12.497 -8.547 1.00 20.51 H new ATOM 0 HE2 TYR A 87 7.470 9.822 -9.206 1.00 23.24 H new ATOM 0 HH TYR A 87 5.504 9.166 -8.437 1.00 45.44 H new ATOM 1257 N GLU A 88 10.782 15.933 -10.210 1.00 72.11 N ATOM 1258 CA GLU A 88 11.666 16.932 -10.797 1.00 43.35 C ATOM 1259 C GLU A 88 10.928 17.768 -11.839 1.00 74.21 C ATOM 1260 O GLU A 88 10.832 18.989 -11.719 1.00 3.35 O ATOM 1261 CB GLU A 88 12.881 16.257 -11.437 1.00 43.34 C ATOM 1262 CG GLU A 88 13.523 15.199 -10.557 1.00 24.42 C ATOM 1263 CD GLU A 88 13.888 15.726 -9.182 1.00 74.53 C ATOM 1264 OE1 GLU A 88 12.999 15.758 -8.306 1.00 13.15 O ATOM 1265 OE2 GLU A 88 15.060 16.105 -8.983 1.00 43.34 O ATOM 0 H GLU A 88 11.112 14.972 -10.300 1.00 72.11 H new ATOM 0 HA GLU A 88 12.004 17.593 -9.999 1.00 43.35 H new ATOM 0 HB2 GLU A 88 12.578 15.799 -12.379 1.00 43.34 H new ATOM 0 HB3 GLU A 88 13.624 17.018 -11.677 1.00 43.34 H new ATOM 0 HG2 GLU A 88 12.839 14.357 -10.449 1.00 24.42 H new ATOM 0 HG3 GLU A 88 14.420 14.820 -11.047 1.00 24.42 H new ATOM 1272 N LYS A 89 10.406 17.100 -12.863 1.00 4.21 N ATOM 1273 CA LYS A 89 9.675 17.778 -13.927 1.00 2.54 C ATOM 1274 C LYS A 89 8.585 18.677 -13.350 1.00 64.25 C ATOM 1275 O LYS A 89 8.208 19.679 -13.958 1.00 64.01 O ATOM 1276 CB LYS A 89 9.056 16.755 -14.881 1.00 34.24 C ATOM 1277 CG LYS A 89 7.848 16.037 -14.302 1.00 43.23 C ATOM 1278 CD LYS A 89 7.858 14.558 -14.652 1.00 3.54 C ATOM 1279 CE LYS A 89 6.995 13.753 -13.693 1.00 12.44 C ATOM 1280 NZ LYS A 89 5.623 14.321 -13.572 1.00 22.43 N ATOM 0 H LYS A 89 10.476 16.089 -12.978 1.00 4.21 H new ATOM 0 HA LYS A 89 10.380 18.400 -14.479 1.00 2.54 H new ATOM 0 HB2 LYS A 89 8.762 17.260 -15.801 1.00 34.24 H new ATOM 0 HB3 LYS A 89 9.812 16.018 -15.150 1.00 34.24 H new ATOM 0 HG2 LYS A 89 7.838 16.155 -13.218 1.00 43.23 H new ATOM 0 HG3 LYS A 89 6.935 16.495 -14.681 1.00 43.23 H new ATOM 0 HD2 LYS A 89 7.496 14.422 -15.671 1.00 3.54 H new ATOM 0 HD3 LYS A 89 8.881 14.183 -14.624 1.00 3.54 H new ATOM 0 HE2 LYS A 89 6.932 12.722 -14.040 1.00 12.44 H new ATOM 0 HE3 LYS A 89 7.467 13.731 -12.711 1.00 12.44 H new ATOM 0 HZ1 LYS A 89 5.009 13.643 -13.078 1.00 22.43 H new ATOM 0 HZ2 LYS A 89 5.661 15.209 -13.033 1.00 22.43 H new ATOM 0 HZ3 LYS A 89 5.240 14.508 -14.521 1.00 22.43 H new ATOM 1294 N ASP A 90 8.085 18.312 -12.175 1.00 53.33 N ATOM 1295 CA ASP A 90 7.040 19.087 -11.516 1.00 11.11 C ATOM 1296 C ASP A 90 7.638 20.255 -10.738 1.00 24.33 C ATOM 1297 O ASP A 90 7.040 21.328 -10.650 1.00 22.11 O ATOM 1298 CB ASP A 90 6.229 18.194 -10.576 1.00 21.32 C ATOM 1299 CG ASP A 90 4.874 18.785 -10.240 1.00 41.14 C ATOM 1300 OD1 ASP A 90 4.832 19.790 -9.500 1.00 51.53 O ATOM 1301 OD2 ASP A 90 3.856 18.243 -10.719 1.00 11.35 O ATOM 0 H ASP A 90 8.386 17.485 -11.659 1.00 53.33 H new ATOM 0 HA ASP A 90 6.379 19.487 -12.285 1.00 11.11 H new ATOM 0 HB2 ASP A 90 6.091 17.216 -11.038 1.00 21.32 H new ATOM 0 HB3 ASP A 90 6.791 18.035 -9.656 1.00 21.32 H new ATOM 1306 N LEU A 91 8.821 20.038 -10.174 1.00 4.44 N ATOM 1307 CA LEU A 91 9.501 21.073 -9.401 1.00 63.51 C ATOM 1308 C LEU A 91 10.190 22.076 -10.321 1.00 74.53 C ATOM 1309 O LEU A 91 10.612 23.146 -9.883 1.00 51.14 O ATOM 1310 CB LEU A 91 10.527 20.441 -8.458 1.00 52.01 C ATOM 1311 CG LEU A 91 9.982 19.913 -7.130 1.00 41.14 C ATOM 1312 CD1 LEU A 91 10.704 18.637 -6.727 1.00 4.23 C ATOM 1313 CD2 LEU A 91 10.113 20.969 -6.043 1.00 11.23 C ATOM 0 H LEU A 91 9.329 19.156 -10.237 1.00 4.44 H new ATOM 0 HA LEU A 91 8.752 21.603 -8.812 1.00 63.51 H new ATOM 0 HB2 LEU A 91 11.013 19.618 -8.981 1.00 52.01 H new ATOM 0 HB3 LEU A 91 11.298 21.181 -8.243 1.00 52.01 H new ATOM 0 HG LEU A 91 8.924 19.682 -7.258 1.00 41.14 H new ATOM 0 HD11 LEU A 91 10.303 18.276 -5.780 1.00 4.23 H new ATOM 0 HD12 LEU A 91 10.558 17.878 -7.496 1.00 4.23 H new ATOM 0 HD13 LEU A 91 11.769 18.841 -6.616 1.00 4.23 H new ATOM 0 HD21 LEU A 91 9.720 20.576 -5.105 1.00 11.23 H new ATOM 0 HD22 LEU A 91 11.163 21.231 -5.915 1.00 11.23 H new ATOM 0 HD23 LEU A 91 9.549 21.857 -6.329 1.00 11.23 H new ATOM 1325 N ILE A 92 10.297 21.723 -11.598 1.00 20.42 N ATOM 1326 CA ILE A 92 10.931 22.593 -12.580 1.00 12.41 C ATOM 1327 C ILE A 92 9.889 23.301 -13.440 1.00 5.51 C ATOM 1328 O ILE A 92 10.125 24.403 -13.934 1.00 54.44 O ATOM 1329 CB ILE A 92 11.888 21.807 -13.495 1.00 75.04 C ATOM 1330 CG1 ILE A 92 12.760 22.769 -14.305 1.00 34.11 C ATOM 1331 CG2 ILE A 92 11.101 20.890 -14.421 1.00 2.25 C ATOM 1332 CD1 ILE A 92 14.234 22.433 -14.258 1.00 73.12 C ATOM 0 H ILE A 92 9.953 20.840 -11.976 1.00 20.42 H new ATOM 0 HA ILE A 92 11.503 23.334 -12.022 1.00 12.41 H new ATOM 0 HB ILE A 92 12.539 21.193 -12.873 1.00 75.04 H new ATOM 0 HG12 ILE A 92 12.427 22.762 -15.343 1.00 34.11 H new ATOM 0 HG13 ILE A 92 12.614 23.782 -13.930 1.00 34.11 H new ATOM 0 HG21 ILE A 92 11.791 20.341 -15.062 1.00 2.25 H new ATOM 0 HG22 ILE A 92 10.519 20.186 -13.827 1.00 2.25 H new ATOM 0 HG23 ILE A 92 10.429 21.486 -15.038 1.00 2.25 H new ATOM 0 HD11 ILE A 92 14.791 23.156 -14.854 1.00 73.12 H new ATOM 0 HD12 ILE A 92 14.582 22.468 -13.226 1.00 73.12 H new ATOM 0 HD13 ILE A 92 14.392 21.432 -14.661 1.00 73.12 H new ATOM 1344 N GLU A 93 8.737 22.661 -13.612 1.00 64.11 N ATOM 1345 CA GLU A 93 7.659 23.231 -14.412 1.00 24.31 C ATOM 1346 C GLU A 93 6.900 24.294 -13.623 1.00 70.50 C ATOM 1347 O GLU A 93 6.150 25.086 -14.192 1.00 32.01 O ATOM 1348 CB GLU A 93 6.696 22.132 -14.867 1.00 3.13 C ATOM 1349 CG GLU A 93 5.817 21.593 -13.751 1.00 0.32 C ATOM 1350 CD GLU A 93 4.523 22.369 -13.601 1.00 52.25 C ATOM 1351 OE1 GLU A 93 3.614 22.172 -14.435 1.00 61.22 O ATOM 1352 OE2 GLU A 93 4.419 23.173 -12.652 1.00 14.30 O ATOM 0 H GLU A 93 8.526 21.748 -13.209 1.00 64.11 H new ATOM 0 HA GLU A 93 8.102 23.702 -15.290 1.00 24.31 H new ATOM 0 HB2 GLU A 93 6.061 22.523 -15.662 1.00 3.13 H new ATOM 0 HB3 GLU A 93 7.271 21.310 -15.294 1.00 3.13 H new ATOM 0 HG2 GLU A 93 5.587 20.546 -13.948 1.00 0.32 H new ATOM 0 HG3 GLU A 93 6.368 21.627 -12.811 1.00 0.32 H new ATOM 1359 N ALA A 94 7.100 24.303 -12.309 1.00 64.32 N ATOM 1360 CA ALA A 94 6.437 25.268 -11.442 1.00 35.11 C ATOM 1361 C ALA A 94 7.042 26.658 -11.603 1.00 52.22 C ATOM 1362 O ALA A 94 6.340 27.617 -11.928 1.00 23.24 O ATOM 1363 CB ALA A 94 6.521 24.819 -9.991 1.00 35.33 C ATOM 0 H ALA A 94 7.716 23.652 -11.822 1.00 64.32 H new ATOM 0 HA ALA A 94 5.388 25.321 -11.735 1.00 35.11 H new ATOM 0 HB1 ALA A 94 6.022 25.550 -9.355 1.00 35.33 H new ATOM 0 HB2 ALA A 94 6.035 23.850 -9.881 1.00 35.33 H new ATOM 0 HB3 ALA A 94 7.567 24.736 -9.696 1.00 35.33 H new ATOM 1369 N ILE A 95 8.347 26.760 -11.374 1.00 54.52 N ATOM 1370 CA ILE A 95 9.045 28.034 -11.495 1.00 24.02 C ATOM 1371 C ILE A 95 8.875 28.625 -12.890 1.00 71.43 C ATOM 1372 O ILE A 95 9.000 29.834 -13.083 1.00 54.10 O ATOM 1373 CB ILE A 95 10.548 27.882 -11.194 1.00 2.31 C ATOM 1374 CG1 ILE A 95 11.196 26.921 -12.192 1.00 71.43 C ATOM 1375 CG2 ILE A 95 10.756 27.394 -9.768 1.00 62.32 C ATOM 1376 CD1 ILE A 95 11.752 27.608 -13.420 1.00 32.03 C ATOM 0 H ILE A 95 8.942 25.977 -11.104 1.00 54.52 H new ATOM 0 HA ILE A 95 8.601 28.708 -10.762 1.00 24.02 H new ATOM 0 HB ILE A 95 11.024 28.857 -11.296 1.00 2.31 H new ATOM 0 HG12 ILE A 95 12.000 26.380 -11.693 1.00 71.43 H new ATOM 0 HG13 ILE A 95 10.458 26.181 -12.502 1.00 71.43 H new ATOM 0 HG21 ILE A 95 11.823 27.292 -9.571 1.00 62.32 H new ATOM 0 HG22 ILE A 95 10.325 28.113 -9.071 1.00 62.32 H new ATOM 0 HG23 ILE A 95 10.269 26.427 -9.640 1.00 62.32 H new ATOM 0 HD11 ILE A 95 12.196 26.865 -14.083 1.00 32.03 H new ATOM 0 HD12 ILE A 95 10.948 28.126 -13.942 1.00 32.03 H new ATOM 0 HD13 ILE A 95 12.513 28.328 -13.121 1.00 32.03 H new ATOM 1388 N ARG A 96 8.587 27.763 -13.860 1.00 62.04 N ATOM 1389 CA ARG A 96 8.399 28.199 -15.239 1.00 14.33 C ATOM 1390 C ARG A 96 7.156 29.076 -15.366 1.00 61.12 C ATOM 1391 O ARG A 96 7.151 30.058 -16.109 1.00 73.30 O ATOM 1392 CB ARG A 96 8.280 26.989 -16.167 1.00 53.53 C ATOM 1393 CG ARG A 96 9.620 26.454 -16.644 1.00 72.05 C ATOM 1394 CD ARG A 96 10.365 27.483 -17.480 1.00 24.21 C ATOM 1395 NE ARG A 96 10.710 26.968 -18.802 1.00 64.03 N ATOM 1396 CZ ARG A 96 9.865 26.948 -19.827 1.00 1.22 C ATOM 1397 NH1 ARG A 96 8.632 27.412 -19.682 1.00 13.51 N ATOM 1398 NH2 ARG A 96 10.253 26.464 -21.000 1.00 23.35 N ATOM 0 H ARG A 96 8.479 26.759 -13.717 1.00 62.04 H new ATOM 0 HA ARG A 96 9.269 28.787 -15.530 1.00 14.33 H new ATOM 0 HB2 ARG A 96 7.745 26.194 -15.647 1.00 53.53 H new ATOM 0 HB3 ARG A 96 7.679 27.264 -17.034 1.00 53.53 H new ATOM 0 HG2 ARG A 96 10.228 26.173 -15.784 1.00 72.05 H new ATOM 0 HG3 ARG A 96 9.463 25.550 -17.232 1.00 72.05 H new ATOM 0 HD2 ARG A 96 9.750 28.376 -17.588 1.00 24.21 H new ATOM 0 HD3 ARG A 96 11.274 27.783 -16.959 1.00 24.21 H new ATOM 0 HE ARG A 96 11.652 26.604 -18.947 1.00 64.03 H new ATOM 0 HH11 ARG A 96 8.330 27.785 -18.782 1.00 13.51 H new ATOM 0 HH12 ARG A 96 7.985 27.396 -20.470 1.00 13.51 H new ATOM 0 HH21 ARG A 96 11.201 26.107 -21.116 1.00 23.35 H new ATOM 0 HH22 ARG A 96 9.603 26.449 -21.786 1.00 23.35 H new ATOM 1412 N ARG A 97 6.105 28.714 -14.637 1.00 65.24 N ATOM 1413 CA ARG A 97 4.857 29.466 -14.670 1.00 60.03 C ATOM 1414 C ARG A 97 4.829 30.521 -13.569 1.00 11.44 C ATOM 1415 O ARG A 97 4.208 31.573 -13.719 1.00 2.31 O ATOM 1416 CB ARG A 97 3.664 28.521 -14.517 1.00 15.40 C ATOM 1417 CG ARG A 97 3.399 27.670 -15.748 1.00 32.32 C ATOM 1418 CD ARG A 97 2.465 26.512 -15.433 1.00 72.44 C ATOM 1419 NE ARG A 97 1.069 26.935 -15.373 1.00 15.31 N ATOM 1420 CZ ARG A 97 0.322 27.163 -16.448 1.00 45.40 C ATOM 1421 NH1 ARG A 97 0.836 27.009 -17.660 1.00 62.25 N ATOM 1422 NH2 ARG A 97 -0.941 27.547 -16.312 1.00 24.45 N ATOM 0 H ARG A 97 6.093 27.905 -14.017 1.00 65.24 H new ATOM 0 HA ARG A 97 4.791 29.971 -15.634 1.00 60.03 H new ATOM 0 HB2 ARG A 97 3.838 27.866 -13.663 1.00 15.40 H new ATOM 0 HB3 ARG A 97 2.773 29.108 -14.293 1.00 15.40 H new ATOM 0 HG2 ARG A 97 2.962 28.288 -16.532 1.00 32.32 H new ATOM 0 HG3 ARG A 97 4.342 27.284 -16.135 1.00 32.32 H new ATOM 0 HD2 ARG A 97 2.577 25.739 -16.193 1.00 72.44 H new ATOM 0 HD3 ARG A 97 2.750 26.066 -14.480 1.00 72.44 H new ATOM 0 HE ARG A 97 0.643 27.063 -14.455 1.00 15.31 H new ATOM 0 HH11 ARG A 97 1.807 26.715 -17.769 1.00 62.25 H new ATOM 0 HH12 ARG A 97 0.261 27.185 -18.484 1.00 62.25 H new ATOM 0 HH21 ARG A 97 -1.340 27.668 -15.381 1.00 24.45 H new ATOM 0 HH22 ARG A 97 -1.513 27.722 -17.138 1.00 24.45 H new ATOM 1436 N ALA A 98 5.505 30.232 -12.462 1.00 31.14 N ATOM 1437 CA ALA A 98 5.559 31.156 -11.336 1.00 14.03 C ATOM 1438 C ALA A 98 6.262 32.452 -11.722 1.00 44.35 C ATOM 1439 O ALA A 98 5.761 33.545 -11.457 1.00 25.11 O ATOM 1440 CB ALA A 98 6.259 30.506 -10.152 1.00 63.41 C ATOM 0 H ALA A 98 6.023 29.365 -12.321 1.00 31.14 H new ATOM 0 HA ALA A 98 4.536 31.400 -11.050 1.00 14.03 H new ATOM 0 HB1 ALA A 98 6.292 31.208 -9.319 1.00 63.41 H new ATOM 0 HB2 ALA A 98 5.712 29.612 -9.852 1.00 63.41 H new ATOM 0 HB3 ALA A 98 7.275 30.232 -10.436 1.00 63.41 H new ATOM 1446 N SER A 99 7.427 32.323 -12.351 1.00 12.55 N ATOM 1447 CA SER A 99 8.202 33.485 -12.770 1.00 12.32 C ATOM 1448 C SER A 99 7.555 34.164 -13.973 1.00 41.14 C ATOM 1449 O SER A 99 7.903 35.290 -14.325 1.00 52.45 O ATOM 1450 CB SER A 99 9.635 33.073 -13.112 1.00 33.42 C ATOM 1451 OG SER A 99 10.280 34.067 -13.888 1.00 62.34 O ATOM 0 H SER A 99 7.854 31.426 -12.581 1.00 12.55 H new ATOM 0 HA SER A 99 8.224 34.194 -11.942 1.00 12.32 H new ATOM 0 HB2 SER A 99 10.197 32.903 -12.194 1.00 33.42 H new ATOM 0 HB3 SER A 99 9.625 32.130 -13.659 1.00 33.42 H new ATOM 0 HG SER A 99 11.195 33.780 -14.092 1.00 62.34 H new ATOM 1457 N ASN A 100 6.611 33.469 -14.600 1.00 45.24 N ATOM 1458 CA ASN A 100 5.915 34.004 -15.765 1.00 65.44 C ATOM 1459 C ASN A 100 5.030 35.184 -15.376 1.00 62.42 C ATOM 1460 O ASN A 100 4.838 36.113 -16.158 1.00 53.35 O ATOM 1461 CB ASN A 100 5.069 32.913 -16.425 1.00 25.52 C ATOM 1462 CG ASN A 100 4.922 33.120 -17.920 1.00 20.31 C ATOM 1463 OD1 ASN A 100 5.741 33.790 -18.549 1.00 25.53 O ATOM 1464 ND2 ASN A 100 3.873 32.544 -18.496 1.00 42.22 N ATOM 0 H ASN A 100 6.311 32.535 -14.321 1.00 45.24 H new ATOM 0 HA ASN A 100 6.664 34.354 -16.476 1.00 65.44 H new ATOM 0 HB2 ASN A 100 5.525 31.941 -16.239 1.00 25.52 H new ATOM 0 HB3 ASN A 100 4.081 32.895 -15.965 1.00 25.52 H new ATOM 0 HD21 ASN A 100 3.721 32.648 -19.499 1.00 42.22 H new ATOM 0 HD22 ASN A 100 3.220 31.997 -17.935 1.00 42.22 H new