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 20:sc= 0.399 USER MOD Single : A 31 TYR OH : rot 180:sc=-0.00223 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.0387 USER MOD Single : A 46 SER OG : rot 106:sc= 0.535 USER MOD Single : A 49 LYS NZ :NH3+ -177:sc= -0.328 (180deg=-0.348) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 52 TYR OH : rot 135:sc= 0.315 USER MOD Single : A 59 SER OG : rot 26:sc= 0.0939 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -6.04! K(o=-6!,f=-1.1) USER MOD Single : A 74 GLN : amide:sc= -0.0325 X(o=-0.033,f=0) USER MOD Single : A 78 SER OG : rot -160:sc= 0.103 USER MOD Single : A 79 LYS NZ :NH3+ -143:sc= 0.0209 (180deg=-0.943) 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 158:sc= -0.525 USER MOD Single : A 100 ASN : amide:sc= -0.187 K(o=-0.19,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 246 N GLU A 20 19.881 30.030 -16.598 1.00 4.22 N ATOM 247 CA GLU A 20 19.089 30.386 -15.426 1.00 62.04 C ATOM 248 C GLU A 20 17.763 31.018 -15.838 1.00 53.22 C ATOM 249 O GLU A 20 17.520 32.206 -15.626 1.00 41.53 O ATOM 250 CB GLU A 20 19.869 31.349 -14.529 1.00 50.31 C ATOM 251 CG GLU A 20 20.420 32.557 -15.268 1.00 5.45 C ATOM 252 CD GLU A 20 21.802 32.310 -15.842 1.00 30.35 C ATOM 253 OE1 GLU A 20 22.773 32.282 -15.057 1.00 44.40 O ATOM 254 OE2 GLU A 20 21.912 32.144 -17.074 1.00 71.51 O ATOM 0 HA GLU A 20 18.879 29.473 -14.869 1.00 62.04 H new ATOM 0 HB2 GLU A 20 19.218 31.691 -13.725 1.00 50.31 H new ATOM 0 HB3 GLU A 20 20.695 30.811 -14.063 1.00 50.31 H new ATOM 0 HG2 GLU A 20 19.738 32.826 -16.075 1.00 5.45 H new ATOM 0 HG3 GLU A 20 20.460 33.407 -14.587 1.00 5.45 H new ATOM 261 N PRO A 21 16.883 30.206 -16.442 1.00 33.41 N ATOM 262 CA PRO A 21 15.566 30.663 -16.896 1.00 61.55 C ATOM 263 C PRO A 21 14.629 30.976 -15.735 1.00 53.25 C ATOM 264 O PRO A 21 13.708 31.782 -15.868 1.00 62.53 O ATOM 265 CB PRO A 21 15.038 29.474 -17.704 1.00 52.53 C ATOM 266 CG PRO A 21 15.745 28.290 -17.142 1.00 71.23 C ATOM 267 CD PRO A 21 17.105 28.778 -16.727 1.00 1.13 C ATOM 0 HA PRO A 21 15.630 31.590 -17.467 1.00 61.55 H new ATOM 0 HB2 PRO A 21 13.957 29.375 -17.602 1.00 52.53 H new ATOM 0 HB3 PRO A 21 15.248 29.593 -18.767 1.00 52.53 H new ATOM 0 HG2 PRO A 21 15.202 27.879 -16.291 1.00 71.23 H new ATOM 0 HG3 PRO A 21 15.825 27.495 -17.884 1.00 71.23 H new ATOM 0 HD2 PRO A 21 17.472 28.246 -15.850 1.00 1.13 H new ATOM 0 HD3 PRO A 21 17.842 28.636 -17.518 1.00 1.13 H new ATOM 275 N GLY A 22 14.870 30.335 -14.596 1.00 74.50 N ATOM 276 CA GLY A 22 14.038 30.559 -13.428 1.00 42.20 C ATOM 277 C GLY A 22 14.310 31.898 -12.772 1.00 53.50 C ATOM 278 O GLY A 22 13.589 32.310 -11.863 1.00 75.22 O ATOM 0 H GLY A 22 15.627 29.664 -14.461 1.00 74.50 H new ATOM 0 HA2 GLY A 22 12.988 30.506 -13.718 1.00 42.20 H new ATOM 0 HA3 GLY A 22 14.210 29.762 -12.705 1.00 42.20 H new ATOM 282 N SER A 23 15.354 32.580 -13.232 1.00 50.21 N ATOM 283 CA SER A 23 15.723 33.879 -12.680 1.00 74.51 C ATOM 284 C SER A 23 14.517 34.813 -12.637 1.00 61.32 C ATOM 285 O SER A 23 13.894 35.088 -13.662 1.00 2.13 O ATOM 286 CB SER A 23 16.842 34.510 -13.510 1.00 21.10 C ATOM 287 OG SER A 23 16.386 34.847 -14.809 1.00 1.34 O ATOM 0 H SER A 23 15.960 32.255 -13.986 1.00 50.21 H new ATOM 0 HA SER A 23 16.079 33.726 -11.661 1.00 74.51 H new ATOM 0 HB2 SER A 23 17.212 35.404 -13.008 1.00 21.10 H new ATOM 0 HB3 SER A 23 17.680 33.816 -13.584 1.00 21.10 H new ATOM 0 HG SER A 23 15.408 34.910 -14.806 1.00 1.34 H new ATOM 293 N GLY A 24 14.194 35.297 -11.442 1.00 0.41 N ATOM 294 CA GLY A 24 13.065 36.195 -11.286 1.00 54.21 C ATOM 295 C GLY A 24 12.161 35.797 -10.136 1.00 24.52 C ATOM 296 O GLY A 24 10.954 36.031 -10.175 1.00 55.01 O ATOM 0 H GLY A 24 14.694 35.083 -10.579 1.00 0.41 H new ATOM 0 HA2 GLY A 24 13.431 37.209 -11.122 1.00 54.21 H new ATOM 0 HA3 GLY A 24 12.487 36.210 -12.210 1.00 54.21 H new ATOM 300 N VAL A 25 12.747 35.190 -9.108 1.00 42.11 N ATOM 301 CA VAL A 25 11.987 34.757 -7.942 1.00 3.14 C ATOM 302 C VAL A 25 12.835 34.827 -6.676 1.00 41.14 C ATOM 303 O VAL A 25 14.064 34.805 -6.739 1.00 5.51 O ATOM 304 CB VAL A 25 11.462 33.320 -8.116 1.00 23.43 C ATOM 305 CG1 VAL A 25 10.460 32.981 -7.023 1.00 53.10 C ATOM 306 CG2 VAL A 25 10.842 33.143 -9.493 1.00 70.43 C ATOM 0 H VAL A 25 13.745 34.987 -9.060 1.00 42.11 H new ATOM 0 HA VAL A 25 11.140 35.436 -7.847 1.00 3.14 H new ATOM 0 HB VAL A 25 12.303 32.632 -8.030 1.00 23.43 H new ATOM 0 HG11 VAL A 25 10.100 31.962 -7.163 1.00 53.10 H new ATOM 0 HG12 VAL A 25 10.942 33.065 -6.049 1.00 53.10 H new ATOM 0 HG13 VAL A 25 9.619 33.673 -7.073 1.00 53.10 H new ATOM 0 HG21 VAL A 25 10.476 32.122 -9.599 1.00 70.43 H new ATOM 0 HG22 VAL A 25 10.012 33.840 -9.611 1.00 70.43 H new ATOM 0 HG23 VAL A 25 11.593 33.341 -10.258 1.00 70.43 H new ATOM 316 N ARG A 26 12.170 34.911 -5.529 1.00 20.41 N ATOM 317 CA ARG A 26 12.863 34.984 -4.248 1.00 55.41 C ATOM 318 C ARG A 26 12.406 33.864 -3.318 1.00 65.00 C ATOM 319 O ARG A 26 11.408 33.999 -2.611 1.00 14.23 O ATOM 320 CB ARG A 26 12.615 36.342 -3.588 1.00 1.11 C ATOM 321 CG ARG A 26 13.127 36.427 -2.159 1.00 71.13 C ATOM 322 CD ARG A 26 13.891 37.719 -1.917 1.00 51.30 C ATOM 323 NE ARG A 26 13.019 38.789 -1.439 1.00 40.13 N ATOM 324 CZ ARG A 26 13.373 40.069 -1.414 1.00 10.25 C ATOM 325 NH1 ARG A 26 14.575 40.437 -1.836 1.00 74.13 N ATOM 326 NH2 ARG A 26 12.524 40.985 -0.965 1.00 32.34 N ATOM 0 H ARG A 26 11.153 34.930 -5.460 1.00 20.41 H new ATOM 0 HA ARG A 26 13.931 34.866 -4.433 1.00 55.41 H new ATOM 0 HB2 ARG A 26 13.094 37.119 -4.184 1.00 1.11 H new ATOM 0 HB3 ARG A 26 11.545 36.550 -3.595 1.00 1.11 H new ATOM 0 HG2 ARG A 26 12.288 36.364 -1.466 1.00 71.13 H new ATOM 0 HG3 ARG A 26 13.775 35.575 -1.952 1.00 71.13 H new ATOM 0 HD2 ARG A 26 14.681 37.542 -1.187 1.00 51.30 H new ATOM 0 HD3 ARG A 26 14.376 38.032 -2.842 1.00 51.30 H new ATOM 0 HE ARG A 26 12.088 38.540 -1.106 1.00 40.13 H new ATOM 0 HH11 ARG A 26 15.231 39.736 -2.181 1.00 74.13 H new ATOM 0 HH12 ARG A 26 14.844 41.421 -1.815 1.00 74.13 H new ATOM 0 HH21 ARG A 26 11.599 40.706 -0.639 1.00 32.34 H new ATOM 0 HH22 ARG A 26 12.797 41.968 -0.946 1.00 32.34 H new ATOM 340 N ILE A 27 13.144 32.759 -3.325 1.00 63.03 N ATOM 341 CA ILE A 27 12.816 31.616 -2.482 1.00 52.23 C ATOM 342 C ILE A 27 13.265 31.847 -1.043 1.00 52.34 C ATOM 343 O ILE A 27 14.302 32.463 -0.797 1.00 22.55 O ATOM 344 CB ILE A 27 13.465 30.323 -3.009 1.00 61.22 C ATOM 345 CG1 ILE A 27 13.309 30.230 -4.528 1.00 54.14 C ATOM 346 CG2 ILE A 27 12.849 29.107 -2.333 1.00 1.33 C ATOM 347 CD1 ILE A 27 13.977 29.015 -5.132 1.00 22.33 C ATOM 0 H ILE A 27 13.973 32.631 -3.905 1.00 63.03 H new ATOM 0 HA ILE A 27 11.732 31.506 -2.508 1.00 52.23 H new ATOM 0 HB ILE A 27 14.529 30.346 -2.773 1.00 61.22 H new ATOM 0 HG12 ILE A 27 12.248 30.211 -4.775 1.00 54.14 H new ATOM 0 HG13 ILE A 27 13.727 31.128 -4.983 1.00 54.14 H new ATOM 0 HG21 ILE A 27 13.318 28.201 -2.716 1.00 1.33 H new ATOM 0 HG22 ILE A 27 13.007 29.170 -1.256 1.00 1.33 H new ATOM 0 HG23 ILE A 27 11.780 29.078 -2.541 1.00 1.33 H new ATOM 0 HD11 ILE A 27 13.825 29.015 -6.211 1.00 22.33 H new ATOM 0 HD12 ILE A 27 15.045 29.042 -4.916 1.00 22.33 H new ATOM 0 HD13 ILE A 27 13.543 28.111 -4.705 1.00 22.33 H new ATOM 359 N VAL A 28 12.477 31.348 -0.096 1.00 41.30 N ATOM 360 CA VAL A 28 12.795 31.498 1.319 1.00 35.52 C ATOM 361 C VAL A 28 12.283 30.309 2.125 1.00 11.04 C ATOM 362 O VAL A 28 11.134 30.293 2.567 1.00 72.23 O ATOM 363 CB VAL A 28 12.192 32.793 1.896 1.00 63.50 C ATOM 364 CG1 VAL A 28 12.600 32.969 3.351 1.00 55.22 C ATOM 365 CG2 VAL A 28 12.618 33.994 1.065 1.00 33.40 C ATOM 0 H VAL A 28 11.614 30.837 -0.283 1.00 41.30 H new ATOM 0 HA VAL A 28 13.881 31.546 1.396 1.00 35.52 H new ATOM 0 HB VAL A 28 11.105 32.718 1.855 1.00 63.50 H new ATOM 0 HG11 VAL A 28 12.165 33.889 3.742 1.00 55.22 H new ATOM 0 HG12 VAL A 28 12.241 32.121 3.935 1.00 55.22 H new ATOM 0 HG13 VAL A 28 13.686 33.023 3.420 1.00 55.22 H new ATOM 0 HG21 VAL A 28 12.183 34.901 1.486 1.00 33.40 H new ATOM 0 HG22 VAL A 28 13.705 34.075 1.073 1.00 33.40 H new ATOM 0 HG23 VAL A 28 12.271 33.868 0.039 1.00 33.40 H new ATOM 375 N VAL A 29 13.144 29.314 2.315 1.00 44.53 N ATOM 376 CA VAL A 29 12.781 28.121 3.070 1.00 53.43 C ATOM 377 C VAL A 29 12.753 28.406 4.567 1.00 33.12 C ATOM 378 O VAL A 29 13.798 28.508 5.209 1.00 73.33 O ATOM 379 CB VAL A 29 13.760 26.964 2.796 1.00 13.14 C ATOM 380 CG1 VAL A 29 13.270 25.683 3.455 1.00 2.50 C ATOM 381 CG2 VAL A 29 13.946 26.766 1.300 1.00 55.35 C ATOM 0 H VAL A 29 14.099 29.311 1.956 1.00 44.53 H new ATOM 0 HA VAL A 29 11.784 27.828 2.740 1.00 53.43 H new ATOM 0 HB VAL A 29 14.728 27.220 3.228 1.00 13.14 H new ATOM 0 HG11 VAL A 29 13.974 24.876 3.251 1.00 2.50 H new ATOM 0 HG12 VAL A 29 13.194 25.834 4.532 1.00 2.50 H new ATOM 0 HG13 VAL A 29 12.291 25.420 3.055 1.00 2.50 H new ATOM 0 HG21 VAL A 29 14.641 25.945 1.125 1.00 55.35 H new ATOM 0 HG22 VAL A 29 12.985 26.532 0.842 1.00 55.35 H new ATOM 0 HG23 VAL A 29 14.346 27.679 0.859 1.00 55.35 H new ATOM 391 N GLU A 30 11.549 28.533 5.118 1.00 63.44 N ATOM 392 CA GLU A 30 11.386 28.806 6.541 1.00 72.14 C ATOM 393 C GLU A 30 11.413 27.512 7.350 1.00 51.34 C ATOM 394 O GLU A 30 10.498 26.693 7.262 1.00 52.21 O ATOM 395 CB GLU A 30 10.073 29.550 6.792 1.00 12.21 C ATOM 396 CG GLU A 30 9.996 30.204 8.162 1.00 62.43 C ATOM 397 CD GLU A 30 8.613 30.739 8.476 1.00 32.23 C ATOM 398 OE1 GLU A 30 7.798 29.980 9.042 1.00 60.45 O ATOM 399 OE2 GLU A 30 8.345 31.916 8.157 1.00 33.13 O ATOM 0 H GLU A 30 10.674 28.451 4.601 1.00 63.44 H new ATOM 0 HA GLU A 30 12.218 29.432 6.863 1.00 72.14 H new ATOM 0 HB2 GLU A 30 9.946 30.315 6.026 1.00 12.21 H new ATOM 0 HB3 GLU A 30 9.243 28.851 6.685 1.00 12.21 H new ATOM 0 HG2 GLU A 30 10.282 29.478 8.923 1.00 62.43 H new ATOM 0 HG3 GLU A 30 10.717 31.020 8.212 1.00 62.43 H new ATOM 406 N TYR A 31 12.468 27.336 8.136 1.00 25.42 N ATOM 407 CA TYR A 31 12.617 26.141 8.959 1.00 44.02 C ATOM 408 C TYR A 31 13.309 26.471 10.278 1.00 33.23 C ATOM 409 O TYR A 31 13.960 27.508 10.410 1.00 73.32 O ATOM 410 CB TYR A 31 13.413 25.074 8.206 1.00 65.21 C ATOM 411 CG TYR A 31 14.877 25.415 8.040 1.00 22.43 C ATOM 412 CD1 TYR A 31 15.806 25.064 9.012 1.00 4.11 C ATOM 413 CD2 TYR A 31 15.331 26.088 6.913 1.00 70.11 C ATOM 414 CE1 TYR A 31 17.145 25.374 8.866 1.00 73.04 C ATOM 415 CE2 TYR A 31 16.667 26.400 6.757 1.00 5.52 C ATOM 416 CZ TYR A 31 17.570 26.042 7.736 1.00 24.33 C ATOM 417 OH TYR A 31 18.902 26.353 7.586 1.00 64.44 O ATOM 0 H TYR A 31 13.233 28.005 8.221 1.00 25.42 H new ATOM 0 HA TYR A 31 11.621 25.755 9.178 1.00 44.02 H new ATOM 0 HB2 TYR A 31 13.327 24.126 8.738 1.00 65.21 H new ATOM 0 HB3 TYR A 31 12.969 24.929 7.221 1.00 65.21 H new ATOM 0 HD1 TYR A 31 15.476 24.540 9.897 1.00 4.11 H new ATOM 0 HD2 TYR A 31 14.627 26.372 6.145 1.00 70.11 H new ATOM 0 HE1 TYR A 31 17.854 25.095 9.631 1.00 73.04 H new ATOM 0 HE2 TYR A 31 17.003 26.922 5.873 1.00 5.52 H new ATOM 0 HH TYR A 31 19.035 26.822 6.736 1.00 64.44 H new ATOM 427 N CYS A 32 13.163 25.580 11.254 1.00 50.24 N ATOM 428 CA CYS A 32 13.772 25.774 12.564 1.00 63.21 C ATOM 429 C CYS A 32 15.277 25.526 12.506 1.00 31.21 C ATOM 430 O CYS A 32 15.725 24.381 12.447 1.00 50.44 O ATOM 431 CB CYS A 32 13.129 24.840 13.591 1.00 5.04 C ATOM 432 SG CYS A 32 14.027 24.745 15.174 1.00 50.32 S ATOM 0 H CYS A 32 12.628 24.717 11.162 1.00 50.24 H new ATOM 0 HA CYS A 32 13.603 26.807 12.867 1.00 63.21 H new ATOM 0 HB2 CYS A 32 12.110 25.175 13.783 1.00 5.04 H new ATOM 0 HB3 CYS A 32 13.060 23.840 13.164 1.00 5.04 H new ATOM 437 N GLU A 33 16.050 26.607 12.524 1.00 24.23 N ATOM 438 CA GLU A 33 17.504 26.506 12.473 1.00 22.04 C ATOM 439 C GLU A 33 18.025 25.593 13.579 1.00 23.15 C ATOM 440 O GLU A 33 18.631 24.552 13.326 1.00 62.34 O ATOM 441 CB GLU A 33 18.139 27.893 12.600 1.00 35.45 C ATOM 442 CG GLU A 33 18.722 28.417 11.299 1.00 20.41 C ATOM 443 CD GLU A 33 19.289 29.816 11.436 1.00 52.44 C ATOM 444 OE1 GLU A 33 18.624 30.668 12.063 1.00 64.44 O ATOM 445 OE2 GLU A 33 20.398 30.060 10.915 1.00 13.12 O ATOM 0 H GLU A 33 15.694 27.562 12.573 1.00 24.23 H new ATOM 0 HA GLU A 33 17.779 26.075 11.510 1.00 22.04 H new ATOM 0 HB2 GLU A 33 17.388 28.596 12.961 1.00 35.45 H new ATOM 0 HB3 GLU A 33 18.927 27.855 13.352 1.00 35.45 H new ATOM 0 HG2 GLU A 33 19.508 27.742 10.959 1.00 20.41 H new ATOM 0 HG3 GLU A 33 17.948 28.416 10.532 1.00 20.41 H new ATOM 452 N PRO A 34 17.785 25.992 14.837 1.00 21.44 N ATOM 453 CA PRO A 34 18.221 25.224 16.008 1.00 43.41 C ATOM 454 C PRO A 34 17.446 23.921 16.169 1.00 52.32 C ATOM 455 O PRO A 34 16.796 23.696 17.190 1.00 30.41 O ATOM 456 CB PRO A 34 17.931 26.167 17.178 1.00 1.33 C ATOM 457 CG PRO A 34 16.836 27.052 16.690 1.00 63.32 C ATOM 458 CD PRO A 34 17.069 27.222 15.214 1.00 73.20 C ATOM 0 HA PRO A 34 19.266 24.924 15.933 1.00 43.41 H new ATOM 0 HB2 PRO A 34 17.626 25.614 18.066 1.00 1.33 H new ATOM 0 HB3 PRO A 34 18.815 26.744 17.450 1.00 1.33 H new ATOM 0 HG2 PRO A 34 15.860 26.607 16.882 1.00 63.32 H new ATOM 0 HG3 PRO A 34 16.854 28.014 17.202 1.00 63.32 H new ATOM 0 HD2 PRO A 34 16.131 27.324 14.668 1.00 73.20 H new ATOM 0 HD3 PRO A 34 17.660 28.112 15.001 1.00 73.20 H new ATOM 466 N CYS A 35 17.519 23.066 15.155 1.00 75.15 N ATOM 467 CA CYS A 35 16.824 21.785 15.183 1.00 74.42 C ATOM 468 C CYS A 35 17.599 20.728 14.401 1.00 32.01 C ATOM 469 O CYS A 35 17.788 19.607 14.871 1.00 35.13 O ATOM 470 CB CYS A 35 15.415 21.932 14.604 1.00 60.21 C ATOM 471 SG CYS A 35 14.220 22.704 15.742 1.00 44.11 S ATOM 0 H CYS A 35 18.053 23.237 14.303 1.00 75.15 H new ATOM 0 HA CYS A 35 16.751 21.463 16.222 1.00 74.42 H new ATOM 0 HB2 CYS A 35 15.469 22.527 13.692 1.00 60.21 H new ATOM 0 HB3 CYS A 35 15.046 20.946 14.320 1.00 60.21 H new ATOM 476 N GLY A 36 18.046 21.095 13.204 1.00 62.11 N ATOM 477 CA GLY A 36 18.796 20.168 12.376 1.00 13.20 C ATOM 478 C GLY A 36 18.079 19.837 11.082 1.00 63.10 C ATOM 479 O GLY A 36 18.439 18.883 10.392 1.00 73.05 O ATOM 0 H GLY A 36 17.902 22.017 12.793 1.00 62.11 H new ATOM 0 HA2 GLY A 36 19.772 20.597 12.148 1.00 13.20 H new ATOM 0 HA3 GLY A 36 18.974 19.249 12.934 1.00 13.20 H new ATOM 483 N PHE A 37 17.061 20.625 10.752 1.00 5.24 N ATOM 484 CA PHE A 37 16.291 20.409 9.534 1.00 55.04 C ATOM 485 C PHE A 37 17.044 20.932 8.314 1.00 73.32 C ATOM 486 O PHE A 37 16.582 20.795 7.182 1.00 52.05 O ATOM 487 CB PHE A 37 14.927 21.096 9.638 1.00 5.25 C ATOM 488 CG PHE A 37 14.014 20.464 10.649 1.00 14.11 C ATOM 489 CD1 PHE A 37 13.391 19.256 10.380 1.00 51.13 C ATOM 490 CD2 PHE A 37 13.777 21.078 11.868 1.00 11.43 C ATOM 491 CE1 PHE A 37 12.550 18.671 11.308 1.00 54.54 C ATOM 492 CE2 PHE A 37 12.937 20.498 12.800 1.00 1.42 C ATOM 493 CZ PHE A 37 12.322 19.294 12.519 1.00 13.21 C ATOM 0 H PHE A 37 16.751 21.419 11.312 1.00 5.24 H new ATOM 0 HA PHE A 37 16.142 19.336 9.415 1.00 55.04 H new ATOM 0 HB2 PHE A 37 15.076 22.144 9.899 1.00 5.25 H new ATOM 0 HB3 PHE A 37 14.444 21.076 8.661 1.00 5.25 H new ATOM 0 HD1 PHE A 37 13.565 18.765 9.434 1.00 51.13 H new ATOM 0 HD2 PHE A 37 14.254 22.021 12.093 1.00 11.43 H new ATOM 0 HE1 PHE A 37 12.072 17.728 11.086 1.00 54.54 H new ATOM 0 HE2 PHE A 37 12.762 20.986 13.747 1.00 1.42 H new ATOM 0 HZ PHE A 37 11.664 18.840 13.245 1.00 13.21 H new ATOM 503 N GLU A 38 18.206 21.531 8.555 1.00 35.01 N ATOM 504 CA GLU A 38 19.022 22.075 7.476 1.00 11.44 C ATOM 505 C GLU A 38 19.649 20.956 6.650 1.00 35.01 C ATOM 506 O GLU A 38 19.986 21.147 5.482 1.00 23.33 O ATOM 507 CB GLU A 38 20.118 22.981 8.043 1.00 33.53 C ATOM 508 CG GLU A 38 20.838 23.799 6.986 1.00 45.34 C ATOM 509 CD GLU A 38 21.906 24.701 7.573 1.00 2.44 C ATOM 510 OE1 GLU A 38 22.438 24.365 8.653 1.00 54.24 O ATOM 511 OE2 GLU A 38 22.210 25.743 6.955 1.00 23.32 O ATOM 0 H GLU A 38 18.603 21.652 9.487 1.00 35.01 H new ATOM 0 HA GLU A 38 18.374 22.663 6.826 1.00 11.44 H new ATOM 0 HB2 GLU A 38 19.676 23.657 8.775 1.00 33.53 H new ATOM 0 HB3 GLU A 38 20.846 22.368 8.574 1.00 33.53 H new ATOM 0 HG2 GLU A 38 21.295 23.126 6.260 1.00 45.34 H new ATOM 0 HG3 GLU A 38 20.112 24.406 6.445 1.00 45.34 H new ATOM 518 N ALA A 39 19.801 19.788 7.266 1.00 51.21 N ATOM 519 CA ALA A 39 20.385 18.638 6.588 1.00 21.41 C ATOM 520 C ALA A 39 19.642 18.328 5.293 1.00 61.20 C ATOM 521 O ALA A 39 20.256 18.133 4.243 1.00 2.04 O ATOM 522 CB ALA A 39 20.378 17.424 7.506 1.00 12.42 C ATOM 0 H ALA A 39 19.528 19.614 8.233 1.00 51.21 H new ATOM 0 HA ALA A 39 21.417 18.883 6.335 1.00 21.41 H new ATOM 0 HB1 ALA A 39 20.817 16.572 6.986 1.00 12.42 H new ATOM 0 HB2 ALA A 39 20.960 17.642 8.402 1.00 12.42 H new ATOM 0 HB3 ALA A 39 19.352 17.187 7.788 1.00 12.42 H new ATOM 528 N THR A 40 18.316 18.283 5.373 1.00 32.32 N ATOM 529 CA THR A 40 17.489 17.995 4.208 1.00 20.41 C ATOM 530 C THR A 40 17.455 19.181 3.251 1.00 34.14 C ATOM 531 O THR A 40 17.115 19.034 2.077 1.00 11.11 O ATOM 532 CB THR A 40 16.047 17.637 4.617 1.00 45.23 C ATOM 533 OG1 THR A 40 16.047 16.462 5.435 1.00 3.31 O ATOM 534 CG2 THR A 40 15.179 17.407 3.389 1.00 34.35 C ATOM 0 H THR A 40 17.792 18.442 6.233 1.00 32.32 H new ATOM 0 HA THR A 40 17.939 17.139 3.705 1.00 20.41 H new ATOM 0 HB THR A 40 15.635 18.472 5.183 1.00 45.23 H new ATOM 0 HG1 THR A 40 15.127 16.242 5.692 1.00 3.31 H new ATOM 0 HG21 THR A 40 14.166 17.156 3.702 1.00 34.35 H new ATOM 0 HG22 THR A 40 15.158 18.313 2.784 1.00 34.35 H new ATOM 0 HG23 THR A 40 15.591 16.587 2.801 1.00 34.35 H new ATOM 542 N TYR A 41 17.809 20.356 3.760 1.00 32.43 N ATOM 543 CA TYR A 41 17.817 21.568 2.951 1.00 53.24 C ATOM 544 C TYR A 41 19.164 21.753 2.260 1.00 44.40 C ATOM 545 O TYR A 41 19.284 22.517 1.301 1.00 64.12 O ATOM 546 CB TYR A 41 17.504 22.788 3.819 1.00 41.23 C ATOM 547 CG TYR A 41 17.743 24.107 3.118 1.00 32.14 C ATOM 548 CD1 TYR A 41 16.868 24.564 2.140 1.00 3.52 C ATOM 549 CD2 TYR A 41 18.843 24.895 3.434 1.00 71.41 C ATOM 550 CE1 TYR A 41 17.083 25.768 1.497 1.00 14.21 C ATOM 551 CE2 TYR A 41 19.064 26.100 2.797 1.00 2.31 C ATOM 552 CZ TYR A 41 18.182 26.533 1.829 1.00 35.34 C ATOM 553 OH TYR A 41 18.399 27.732 1.192 1.00 43.53 O ATOM 0 H TYR A 41 18.094 20.494 4.730 1.00 32.43 H new ATOM 0 HA TYR A 41 17.047 21.468 2.185 1.00 53.24 H new ATOM 0 HB2 TYR A 41 16.463 22.739 4.138 1.00 41.23 H new ATOM 0 HB3 TYR A 41 18.116 22.749 4.720 1.00 41.23 H new ATOM 0 HD1 TYR A 41 16.006 23.968 1.878 1.00 3.52 H new ATOM 0 HD2 TYR A 41 19.537 24.559 4.191 1.00 71.41 H new ATOM 0 HE1 TYR A 41 16.394 26.109 0.738 1.00 14.21 H new ATOM 0 HE2 TYR A 41 19.924 26.701 3.056 1.00 2.31 H new ATOM 0 HH TYR A 41 19.215 28.146 1.543 1.00 43.53 H new ATOM 563 N LEU A 42 20.176 21.049 2.754 1.00 64.21 N ATOM 564 CA LEU A 42 21.517 21.133 2.185 1.00 2.32 C ATOM 565 C LEU A 42 21.886 19.840 1.466 1.00 22.31 C ATOM 566 O LEU A 42 23.017 19.674 1.009 1.00 35.32 O ATOM 567 CB LEU A 42 22.540 21.430 3.283 1.00 64.31 C ATOM 568 CG LEU A 42 23.516 22.573 3.000 1.00 31.23 C ATOM 569 CD1 LEU A 42 22.762 23.873 2.770 1.00 51.31 C ATOM 570 CD2 LEU A 42 24.506 22.724 4.146 1.00 44.14 C ATOM 0 H LEU A 42 20.094 20.413 3.547 1.00 64.21 H new ATOM 0 HA LEU A 42 21.527 21.945 1.458 1.00 2.32 H new ATOM 0 HB2 LEU A 42 22.001 21.659 4.202 1.00 64.31 H new ATOM 0 HB3 LEU A 42 23.117 20.524 3.469 1.00 64.31 H new ATOM 0 HG LEU A 42 24.073 22.335 2.094 1.00 31.23 H new ATOM 0 HD11 LEU A 42 23.472 24.675 2.570 1.00 51.31 H new ATOM 0 HD12 LEU A 42 22.093 23.760 1.917 1.00 51.31 H new ATOM 0 HD13 LEU A 42 22.179 24.118 3.658 1.00 51.31 H new ATOM 0 HD21 LEU A 42 25.193 23.542 3.928 1.00 44.14 H new ATOM 0 HD22 LEU A 42 23.966 22.940 5.068 1.00 44.14 H new ATOM 0 HD23 LEU A 42 25.070 21.799 4.264 1.00 44.14 H new ATOM 582 N GLU A 43 20.924 18.928 1.368 1.00 32.21 N ATOM 583 CA GLU A 43 21.148 17.650 0.703 1.00 63.21 C ATOM 584 C GLU A 43 20.450 17.612 -0.654 1.00 2.45 C ATOM 585 O GLU A 43 20.863 16.884 -1.557 1.00 51.22 O ATOM 586 CB GLU A 43 20.648 16.499 1.578 1.00 14.03 C ATOM 587 CG GLU A 43 19.142 16.303 1.524 1.00 52.25 C ATOM 588 CD GLU A 43 18.669 15.163 2.404 1.00 64.40 C ATOM 589 OE1 GLU A 43 19.517 14.547 3.084 1.00 14.43 O ATOM 590 OE2 GLU A 43 17.452 14.886 2.412 1.00 35.25 O ATOM 0 H GLU A 43 19.982 19.050 1.741 1.00 32.21 H new ATOM 0 HA GLU A 43 22.220 17.536 0.544 1.00 63.21 H new ATOM 0 HB2 GLU A 43 21.137 15.577 1.265 1.00 14.03 H new ATOM 0 HB3 GLU A 43 20.945 16.683 2.610 1.00 14.03 H new ATOM 0 HG2 GLU A 43 18.648 17.224 1.833 1.00 52.25 H new ATOM 0 HG3 GLU A 43 18.841 16.111 0.494 1.00 52.25 H new ATOM 597 N LEU A 44 19.390 18.402 -0.788 1.00 62.44 N ATOM 598 CA LEU A 44 18.633 18.460 -2.034 1.00 60.51 C ATOM 599 C LEU A 44 18.877 19.779 -2.759 1.00 4.10 C ATOM 600 O LEU A 44 18.920 19.825 -3.988 1.00 25.20 O ATOM 601 CB LEU A 44 17.139 18.287 -1.754 1.00 40.32 C ATOM 602 CG LEU A 44 16.428 19.493 -1.139 1.00 1.04 C ATOM 603 CD1 LEU A 44 15.872 20.398 -2.227 1.00 33.30 C ATOM 604 CD2 LEU A 44 15.318 19.037 -0.202 1.00 44.05 C ATOM 0 H LEU A 44 19.036 19.011 -0.050 1.00 62.44 H new ATOM 0 HA LEU A 44 18.973 17.647 -2.675 1.00 60.51 H new ATOM 0 HB2 LEU A 44 16.641 18.035 -2.690 1.00 40.32 H new ATOM 0 HB3 LEU A 44 17.011 17.435 -1.086 1.00 40.32 H new ATOM 0 HG LEU A 44 17.155 20.062 -0.559 1.00 1.04 H new ATOM 0 HD11 LEU A 44 15.370 21.250 -1.770 1.00 33.30 H new ATOM 0 HD12 LEU A 44 16.688 20.753 -2.857 1.00 33.30 H new ATOM 0 HD13 LEU A 44 15.160 19.841 -2.835 1.00 33.30 H new ATOM 0 HD21 LEU A 44 14.823 19.908 0.227 1.00 44.05 H new ATOM 0 HD22 LEU A 44 14.592 18.445 -0.759 1.00 44.05 H new ATOM 0 HD23 LEU A 44 15.743 18.431 0.598 1.00 44.05 H new ATOM 616 N ALA A 45 19.039 20.850 -1.989 1.00 11.30 N ATOM 617 CA ALA A 45 19.283 22.170 -2.558 1.00 25.15 C ATOM 618 C ALA A 45 20.671 22.248 -3.186 1.00 55.42 C ATOM 619 O ALA A 45 20.945 23.131 -3.999 1.00 1.21 O ATOM 620 CB ALA A 45 19.124 23.242 -1.490 1.00 4.30 C ATOM 0 H ALA A 45 19.006 20.830 -0.970 1.00 11.30 H new ATOM 0 HA ALA A 45 18.547 22.343 -3.343 1.00 25.15 H new ATOM 0 HB1 ALA A 45 19.309 24.223 -1.928 1.00 4.30 H new ATOM 0 HB2 ALA A 45 18.111 23.209 -1.089 1.00 4.30 H new ATOM 0 HB3 ALA A 45 19.838 23.063 -0.686 1.00 4.30 H new ATOM 626 N SER A 46 21.542 21.320 -2.804 1.00 73.13 N ATOM 627 CA SER A 46 22.902 21.287 -3.328 1.00 4.14 C ATOM 628 C SER A 46 22.898 21.087 -4.840 1.00 40.31 C ATOM 629 O SER A 46 23.889 21.361 -5.516 1.00 62.01 O ATOM 630 CB SER A 46 23.703 20.169 -2.656 1.00 54.14 C ATOM 631 OG SER A 46 24.336 20.633 -1.477 1.00 31.14 O ATOM 0 H SER A 46 21.330 20.581 -2.134 1.00 73.13 H new ATOM 0 HA SER A 46 23.373 22.245 -3.108 1.00 4.14 H new ATOM 0 HB2 SER A 46 23.041 19.338 -2.414 1.00 54.14 H new ATOM 0 HB3 SER A 46 24.453 19.788 -3.349 1.00 54.14 H new ATOM 0 HG SER A 46 23.869 20.276 -0.693 1.00 31.14 H new ATOM 637 N ALA A 47 21.775 20.608 -5.364 1.00 73.01 N ATOM 638 CA ALA A 47 21.639 20.373 -6.796 1.00 62.02 C ATOM 639 C ALA A 47 20.524 21.227 -7.390 1.00 0.24 C ATOM 640 O ALA A 47 20.577 21.611 -8.558 1.00 71.43 O ATOM 641 CB ALA A 47 21.378 18.899 -7.067 1.00 21.43 C ATOM 0 H ALA A 47 20.946 20.375 -4.818 1.00 73.01 H new ATOM 0 HA ALA A 47 22.575 20.659 -7.276 1.00 62.02 H new ATOM 0 HB1 ALA A 47 21.279 18.738 -8.141 1.00 21.43 H new ATOM 0 HB2 ALA A 47 22.210 18.306 -6.687 1.00 21.43 H new ATOM 0 HB3 ALA A 47 20.458 18.595 -6.568 1.00 21.43 H new ATOM 647 N VAL A 48 19.514 21.522 -6.577 1.00 21.31 N ATOM 648 CA VAL A 48 18.386 22.331 -7.022 1.00 10.23 C ATOM 649 C VAL A 48 18.787 23.794 -7.179 1.00 30.41 C ATOM 650 O VAL A 48 18.485 24.427 -8.191 1.00 34.24 O ATOM 651 CB VAL A 48 17.205 22.237 -6.037 1.00 40.03 C ATOM 652 CG1 VAL A 48 16.070 23.150 -6.476 1.00 3.24 C ATOM 653 CG2 VAL A 48 16.726 20.798 -5.916 1.00 42.24 C ATOM 0 H VAL A 48 19.454 21.213 -5.607 1.00 21.31 H new ATOM 0 HA VAL A 48 18.075 21.936 -7.989 1.00 10.23 H new ATOM 0 HB VAL A 48 17.546 22.566 -5.055 1.00 40.03 H new ATOM 0 HG11 VAL A 48 15.245 23.070 -5.769 1.00 3.24 H new ATOM 0 HG12 VAL A 48 16.423 24.181 -6.507 1.00 3.24 H new ATOM 0 HG13 VAL A 48 15.728 22.854 -7.468 1.00 3.24 H new ATOM 0 HG21 VAL A 48 15.892 20.750 -5.216 1.00 42.24 H new ATOM 0 HG22 VAL A 48 16.402 20.439 -6.893 1.00 42.24 H new ATOM 0 HG23 VAL A 48 17.541 20.173 -5.552 1.00 42.24 H new ATOM 663 N LYS A 49 19.471 24.325 -6.171 1.00 54.43 N ATOM 664 CA LYS A 49 19.916 25.714 -6.197 1.00 30.44 C ATOM 665 C LYS A 49 20.738 25.999 -7.450 1.00 34.43 C ATOM 666 O LYS A 49 20.772 27.128 -7.936 1.00 53.31 O ATOM 667 CB LYS A 49 20.744 26.028 -4.949 1.00 20.14 C ATOM 668 CG LYS A 49 19.978 25.849 -3.649 1.00 71.13 C ATOM 669 CD LYS A 49 18.903 26.910 -3.485 1.00 41.30 C ATOM 670 CE LYS A 49 17.555 26.421 -3.991 1.00 34.04 C ATOM 671 NZ LYS A 49 16.432 26.925 -3.152 1.00 72.02 N ATOM 0 H LYS A 49 19.729 23.815 -5.326 1.00 54.43 H new ATOM 0 HA LYS A 49 19.033 26.353 -6.211 1.00 30.44 H new ATOM 0 HB2 LYS A 49 21.623 25.383 -4.935 1.00 20.14 H new ATOM 0 HB3 LYS A 49 21.103 27.055 -5.011 1.00 20.14 H new ATOM 0 HG2 LYS A 49 19.520 24.860 -3.628 1.00 71.13 H new ATOM 0 HG3 LYS A 49 20.670 25.898 -2.808 1.00 71.13 H new ATOM 0 HD2 LYS A 49 18.820 27.186 -2.434 1.00 41.30 H new ATOM 0 HD3 LYS A 49 19.192 27.809 -4.028 1.00 41.30 H new ATOM 0 HE2 LYS A 49 17.414 26.747 -5.021 1.00 34.04 H new ATOM 0 HE3 LYS A 49 17.543 25.331 -3.997 1.00 34.04 H new ATOM 0 HZ1 LYS A 49 15.535 26.529 -3.498 1.00 72.02 H new ATOM 0 HZ2 LYS A 49 16.580 26.636 -2.164 1.00 72.02 H new ATOM 0 HZ3 LYS A 49 16.396 27.963 -3.207 1.00 72.02 H new ATOM 685 N GLU A 50 21.396 24.967 -7.967 1.00 64.55 N ATOM 686 CA GLU A 50 22.217 25.108 -9.165 1.00 32.23 C ATOM 687 C GLU A 50 21.345 25.297 -10.403 1.00 12.14 C ATOM 688 O GLU A 50 21.796 25.831 -11.416 1.00 30.34 O ATOM 689 CB GLU A 50 23.114 23.881 -9.342 1.00 44.44 C ATOM 690 CG GLU A 50 24.150 24.039 -10.443 1.00 1.51 C ATOM 691 CD GLU A 50 25.071 25.222 -10.212 1.00 72.01 C ATOM 692 OE1 GLU A 50 25.368 25.521 -9.036 1.00 52.25 O ATOM 693 OE2 GLU A 50 25.494 25.848 -11.206 1.00 52.11 O ATOM 0 H GLU A 50 21.377 24.025 -7.576 1.00 64.55 H new ATOM 0 HA GLU A 50 22.843 25.992 -9.044 1.00 32.23 H new ATOM 0 HB2 GLU A 50 23.624 23.676 -8.401 1.00 44.44 H new ATOM 0 HB3 GLU A 50 22.491 23.014 -9.563 1.00 44.44 H new ATOM 0 HG2 GLU A 50 24.745 23.128 -10.511 1.00 1.51 H new ATOM 0 HG3 GLU A 50 23.642 24.160 -11.400 1.00 1.51 H new ATOM 700 N GLN A 51 20.095 24.855 -10.312 1.00 14.33 N ATOM 701 CA GLN A 51 19.160 24.975 -11.424 1.00 71.14 C ATOM 702 C GLN A 51 18.950 26.437 -11.804 1.00 34.10 C ATOM 703 O GLN A 51 19.032 26.802 -12.977 1.00 3.32 O ATOM 704 CB GLN A 51 17.820 24.331 -11.064 1.00 11.32 C ATOM 705 CG GLN A 51 17.940 22.881 -10.624 1.00 41.04 C ATOM 706 CD GLN A 51 18.248 21.946 -11.777 1.00 62.30 C ATOM 707 OE1 GLN A 51 19.407 21.768 -12.155 1.00 34.12 O ATOM 708 NE2 GLN A 51 17.210 21.341 -12.343 1.00 41.41 N ATOM 0 H GLN A 51 19.707 24.411 -9.480 1.00 14.33 H new ATOM 0 HA GLN A 51 19.586 24.454 -12.281 1.00 71.14 H new ATOM 0 HB2 GLN A 51 17.353 24.907 -10.265 1.00 11.32 H new ATOM 0 HB3 GLN A 51 17.156 24.386 -11.927 1.00 11.32 H new ATOM 0 HG2 GLN A 51 18.725 22.797 -9.873 1.00 41.04 H new ATOM 0 HG3 GLN A 51 17.009 22.571 -10.148 1.00 41.04 H new ATOM 0 HE21 GLN A 51 16.266 21.517 -11.998 1.00 41.41 H new ATOM 0 HE22 GLN A 51 17.356 20.700 -13.123 1.00 41.41 H new ATOM 717 N TYR A 52 18.677 27.269 -10.805 1.00 31.21 N ATOM 718 CA TYR A 52 18.452 28.691 -11.034 1.00 73.04 C ATOM 719 C TYR A 52 19.401 29.536 -10.190 1.00 52.02 C ATOM 720 O TYR A 52 19.038 30.057 -9.135 1.00 51.25 O ATOM 721 CB TYR A 52 17.002 29.058 -10.713 1.00 71.40 C ATOM 722 CG TYR A 52 16.289 28.026 -9.869 1.00 23.55 C ATOM 723 CD1 TYR A 52 16.658 27.805 -8.547 1.00 41.13 C ATOM 724 CD2 TYR A 52 15.246 27.271 -10.392 1.00 2.31 C ATOM 725 CE1 TYR A 52 16.010 26.863 -7.773 1.00 23.35 C ATOM 726 CE2 TYR A 52 14.592 26.328 -9.624 1.00 74.30 C ATOM 727 CZ TYR A 52 14.978 26.127 -8.315 1.00 74.32 C ATOM 728 OH TYR A 52 14.329 25.188 -7.546 1.00 72.12 O ATOM 0 H TYR A 52 18.606 26.983 -9.829 1.00 31.21 H new ATOM 0 HA TYR A 52 18.648 28.899 -12.086 1.00 73.04 H new ATOM 0 HB2 TYR A 52 16.985 30.015 -10.192 1.00 71.40 H new ATOM 0 HB3 TYR A 52 16.455 29.193 -11.646 1.00 71.40 H new ATOM 0 HD1 TYR A 52 17.465 28.380 -8.118 1.00 41.13 H new ATOM 0 HD2 TYR A 52 14.942 27.424 -11.417 1.00 2.31 H new ATOM 0 HE1 TYR A 52 16.310 26.704 -6.748 1.00 23.35 H new ATOM 0 HE2 TYR A 52 13.783 25.751 -10.046 1.00 74.30 H new ATOM 0 HH TYR A 52 13.361 25.270 -7.677 1.00 72.12 H new ATOM 738 N PRO A 53 20.648 29.676 -10.665 1.00 15.11 N ATOM 739 CA PRO A 53 21.675 30.458 -9.971 1.00 65.32 C ATOM 740 C PRO A 53 21.388 31.955 -10.008 1.00 23.14 C ATOM 741 O PRO A 53 22.082 32.745 -9.369 1.00 15.51 O ATOM 742 CB PRO A 53 22.952 30.139 -10.754 1.00 32.13 C ATOM 743 CG PRO A 53 22.477 29.760 -12.114 1.00 64.30 C ATOM 744 CD PRO A 53 21.149 29.083 -11.916 1.00 24.23 C ATOM 0 HA PRO A 53 21.733 30.206 -8.912 1.00 65.32 H new ATOM 0 HB2 PRO A 53 23.618 31.001 -10.793 1.00 32.13 H new ATOM 0 HB3 PRO A 53 23.509 29.326 -10.288 1.00 32.13 H new ATOM 0 HG2 PRO A 53 22.376 30.639 -12.751 1.00 64.30 H new ATOM 0 HG3 PRO A 53 23.186 29.092 -12.603 1.00 64.30 H new ATOM 0 HD2 PRO A 53 20.473 29.273 -12.750 1.00 24.23 H new ATOM 0 HD3 PRO A 53 21.257 28.002 -11.833 1.00 24.23 H new ATOM 752 N GLY A 54 20.361 32.338 -10.759 1.00 74.24 N ATOM 753 CA GLY A 54 20.000 33.740 -10.864 1.00 60.45 C ATOM 754 C GLY A 54 19.056 34.180 -9.763 1.00 23.41 C ATOM 755 O GLY A 54 19.134 35.312 -9.286 1.00 54.31 O ATOM 0 H GLY A 54 19.772 31.703 -11.297 1.00 74.24 H new ATOM 0 HA2 GLY A 54 20.904 34.348 -10.828 1.00 60.45 H new ATOM 0 HA3 GLY A 54 19.533 33.920 -11.832 1.00 60.45 H new ATOM 759 N ILE A 55 18.162 33.283 -9.359 1.00 4.41 N ATOM 760 CA ILE A 55 17.200 33.586 -8.307 1.00 54.12 C ATOM 761 C ILE A 55 17.904 33.969 -7.010 1.00 43.54 C ATOM 762 O ILE A 55 19.124 34.132 -6.980 1.00 54.24 O ATOM 763 CB ILE A 55 16.266 32.391 -8.037 1.00 65.13 C ATOM 764 CG1 ILE A 55 17.058 31.221 -7.449 1.00 72.23 C ATOM 765 CG2 ILE A 55 15.561 31.970 -9.318 1.00 11.03 C ATOM 766 CD1 ILE A 55 16.716 30.925 -6.006 1.00 20.03 C ATOM 0 H ILE A 55 18.084 32.342 -9.744 1.00 4.41 H new ATOM 0 HA ILE A 55 16.606 34.430 -8.657 1.00 54.12 H new ATOM 0 HB ILE A 55 15.510 32.695 -7.313 1.00 65.13 H new ATOM 0 HG12 ILE A 55 16.872 30.330 -8.048 1.00 72.23 H new ATOM 0 HG13 ILE A 55 18.123 31.440 -7.524 1.00 72.23 H new ATOM 0 HG21 ILE A 55 14.905 31.125 -9.111 1.00 11.03 H new ATOM 0 HG22 ILE A 55 14.970 32.803 -9.699 1.00 11.03 H new ATOM 0 HG23 ILE A 55 16.302 31.680 -10.063 1.00 11.03 H new ATOM 0 HD11 ILE A 55 17.315 30.085 -5.655 1.00 20.03 H new ATOM 0 HD12 ILE A 55 16.928 31.802 -5.395 1.00 20.03 H new ATOM 0 HD13 ILE A 55 15.658 30.675 -5.927 1.00 20.03 H new ATOM 778 N GLU A 56 17.128 34.110 -5.941 1.00 11.34 N ATOM 779 CA GLU A 56 17.679 34.474 -4.640 1.00 71.42 C ATOM 780 C GLU A 56 17.050 33.636 -3.530 1.00 5.20 C ATOM 781 O GLU A 56 15.896 33.846 -3.158 1.00 14.21 O ATOM 782 CB GLU A 56 17.452 35.961 -4.363 1.00 12.12 C ATOM 783 CG GLU A 56 18.684 36.819 -4.598 1.00 54.11 C ATOM 784 CD GLU A 56 19.706 36.689 -3.486 1.00 64.43 C ATOM 785 OE1 GLU A 56 19.301 36.667 -2.306 1.00 13.14 O ATOM 786 OE2 GLU A 56 20.913 36.608 -3.798 1.00 22.22 O ATOM 0 H GLU A 56 16.117 33.978 -5.949 1.00 11.34 H new ATOM 0 HA GLU A 56 18.751 34.276 -4.659 1.00 71.42 H new ATOM 0 HB2 GLU A 56 16.643 36.321 -4.998 1.00 12.12 H new ATOM 0 HB3 GLU A 56 17.126 36.084 -3.330 1.00 12.12 H new ATOM 0 HG2 GLU A 56 19.144 36.536 -5.544 1.00 54.11 H new ATOM 0 HG3 GLU A 56 18.383 37.863 -4.690 1.00 54.11 H new ATOM 793 N ILE A 57 17.819 32.687 -3.006 1.00 53.11 N ATOM 794 CA ILE A 57 17.338 31.819 -1.939 1.00 21.43 C ATOM 795 C ILE A 57 18.074 32.095 -0.632 1.00 31.21 C ATOM 796 O ILE A 57 19.278 32.348 -0.628 1.00 51.44 O ATOM 797 CB ILE A 57 17.505 30.332 -2.304 1.00 70.14 C ATOM 798 CG1 ILE A 57 17.244 29.451 -1.081 1.00 71.21 C ATOM 799 CG2 ILE A 57 18.898 30.076 -2.860 1.00 51.44 C ATOM 800 CD1 ILE A 57 15.844 29.590 -0.524 1.00 64.40 C ATOM 0 H ILE A 57 18.777 32.500 -3.303 1.00 53.11 H new ATOM 0 HA ILE A 57 16.278 32.036 -1.810 1.00 21.43 H new ATOM 0 HB ILE A 57 16.775 30.078 -3.073 1.00 70.14 H new ATOM 0 HG12 ILE A 57 17.418 28.409 -1.350 1.00 71.21 H new ATOM 0 HG13 ILE A 57 17.963 29.703 -0.302 1.00 71.21 H new ATOM 0 HG21 ILE A 57 19.000 29.021 -3.113 1.00 51.44 H new ATOM 0 HG22 ILE A 57 19.049 30.680 -3.755 1.00 51.44 H new ATOM 0 HG23 ILE A 57 19.643 30.343 -2.111 1.00 51.44 H new ATOM 0 HD11 ILE A 57 15.730 28.937 0.341 1.00 64.40 H new ATOM 0 HD12 ILE A 57 15.673 30.624 -0.223 1.00 64.40 H new ATOM 0 HD13 ILE A 57 15.119 29.310 -1.288 1.00 64.40 H new ATOM 812 N GLU A 58 17.341 32.042 0.476 1.00 23.11 N ATOM 813 CA GLU A 58 17.926 32.286 1.790 1.00 75.53 C ATOM 814 C GLU A 58 17.183 31.503 2.869 1.00 13.41 C ATOM 815 O GLU A 58 16.089 30.990 2.636 1.00 34.55 O ATOM 816 CB GLU A 58 17.896 33.780 2.116 1.00 3.21 C ATOM 817 CG GLU A 58 18.866 34.604 1.285 1.00 22.45 C ATOM 818 CD GLU A 58 19.171 35.951 1.910 1.00 13.40 C ATOM 819 OE1 GLU A 58 19.610 35.979 3.078 1.00 22.24 O ATOM 820 OE2 GLU A 58 18.970 36.979 1.229 1.00 15.13 O ATOM 0 H GLU A 58 16.343 31.833 0.490 1.00 23.11 H new ATOM 0 HA GLU A 58 18.962 31.947 1.768 1.00 75.53 H new ATOM 0 HB2 GLU A 58 16.885 34.157 1.960 1.00 3.21 H new ATOM 0 HB3 GLU A 58 18.128 33.918 3.172 1.00 3.21 H new ATOM 0 HG2 GLU A 58 19.795 34.047 1.159 1.00 22.45 H new ATOM 0 HG3 GLU A 58 18.448 34.756 0.290 1.00 22.45 H new ATOM 827 N SER A 59 17.786 31.417 4.050 1.00 1.54 N ATOM 828 CA SER A 59 17.185 30.695 5.165 1.00 31.30 C ATOM 829 C SER A 59 16.541 31.661 6.155 1.00 24.31 C ATOM 830 O SER A 59 17.150 32.653 6.555 1.00 13.51 O ATOM 831 CB SER A 59 18.239 29.844 5.877 1.00 52.13 C ATOM 832 OG SER A 59 19.186 30.659 6.544 1.00 2.44 O ATOM 0 H SER A 59 18.691 31.839 4.260 1.00 1.54 H new ATOM 0 HA SER A 59 16.409 30.041 4.766 1.00 31.30 H new ATOM 0 HB2 SER A 59 17.753 29.183 6.595 1.00 52.13 H new ATOM 0 HB3 SER A 59 18.748 29.208 5.152 1.00 52.13 H new ATOM 0 HG SER A 59 18.779 31.524 6.760 1.00 2.44 H new ATOM 838 N ARG A 60 15.307 31.362 6.546 1.00 12.20 N ATOM 839 CA ARG A 60 14.579 32.204 7.488 1.00 21.11 C ATOM 840 C ARG A 60 14.015 31.372 8.636 1.00 13.54 C ATOM 841 O ARG A 60 13.648 30.211 8.454 1.00 23.44 O ATOM 842 CB ARG A 60 13.446 32.943 6.774 1.00 13.04 C ATOM 843 CG ARG A 60 13.833 34.332 6.293 1.00 74.32 C ATOM 844 CD ARG A 60 12.818 35.376 6.731 1.00 53.14 C ATOM 845 NE ARG A 60 11.999 35.845 5.616 1.00 44.33 N ATOM 846 CZ ARG A 60 10.914 35.213 5.184 1.00 51.23 C ATOM 847 NH1 ARG A 60 10.518 34.092 5.770 1.00 1.03 N ATOM 848 NH2 ARG A 60 10.222 35.703 4.163 1.00 35.11 N ATOM 0 H ARG A 60 14.790 30.543 6.225 1.00 12.20 H new ATOM 0 HA ARG A 60 15.276 32.934 7.899 1.00 21.11 H new ATOM 0 HB2 ARG A 60 13.118 32.350 5.920 1.00 13.04 H new ATOM 0 HB3 ARG A 60 12.595 33.026 7.450 1.00 13.04 H new ATOM 0 HG2 ARG A 60 14.817 34.593 6.684 1.00 74.32 H new ATOM 0 HG3 ARG A 60 13.912 34.333 5.206 1.00 74.32 H new ATOM 0 HD2 ARG A 60 12.173 34.954 7.502 1.00 53.14 H new ATOM 0 HD3 ARG A 60 13.339 36.222 7.179 1.00 53.14 H new ATOM 0 HE ARG A 60 12.276 36.705 5.143 1.00 44.33 H new ATOM 0 HH11 ARG A 60 11.047 33.712 6.555 1.00 1.03 H new ATOM 0 HH12 ARG A 60 9.684 33.609 5.436 1.00 1.03 H new ATOM 0 HH21 ARG A 60 10.524 36.566 3.710 1.00 35.11 H new ATOM 0 HH22 ARG A 60 9.389 35.217 3.832 1.00 35.11 H new ATOM 862 N LEU A 61 13.948 31.974 9.819 1.00 41.53 N ATOM 863 CA LEU A 61 13.429 31.290 10.998 1.00 72.04 C ATOM 864 C LEU A 61 11.906 31.209 10.954 1.00 42.31 C ATOM 865 O LEU A 61 11.246 32.061 10.361 1.00 10.42 O ATOM 866 CB LEU A 61 13.876 32.012 12.270 1.00 43.55 C ATOM 867 CG LEU A 61 14.128 31.128 13.491 1.00 34.40 C ATOM 868 CD1 LEU A 61 15.256 30.146 13.216 1.00 41.00 C ATOM 869 CD2 LEU A 61 14.445 31.980 14.711 1.00 41.01 C ATOM 0 H LEU A 61 14.247 32.935 9.987 1.00 41.53 H new ATOM 0 HA LEU A 61 13.829 30.276 11.004 1.00 72.04 H new ATOM 0 HB2 LEU A 61 14.791 32.561 12.049 1.00 43.55 H new ATOM 0 HB3 LEU A 61 13.117 32.749 12.531 1.00 43.55 H new ATOM 0 HG LEU A 61 13.221 30.559 13.696 1.00 34.40 H new ATOM 0 HD11 LEU A 61 15.421 29.525 14.097 1.00 41.00 H new ATOM 0 HD12 LEU A 61 14.989 29.512 12.370 1.00 41.00 H new ATOM 0 HD13 LEU A 61 16.168 30.696 12.984 1.00 41.00 H new ATOM 0 HD21 LEU A 61 14.621 31.333 15.571 1.00 41.01 H new ATOM 0 HD22 LEU A 61 15.336 32.576 14.517 1.00 41.01 H new ATOM 0 HD23 LEU A 61 13.605 32.642 14.921 1.00 41.01 H new ATOM 881 N GLY A 62 11.355 30.179 11.588 1.00 33.21 N ATOM 882 CA GLY A 62 9.914 30.007 11.611 1.00 11.03 C ATOM 883 C GLY A 62 9.371 29.854 13.018 1.00 13.31 C ATOM 884 O GLY A 62 8.334 30.424 13.356 1.00 1.21 O ATOM 0 H GLY A 62 11.880 29.461 12.086 1.00 33.21 H new ATOM 0 HA2 GLY A 62 9.441 30.865 11.134 1.00 11.03 H new ATOM 0 HA3 GLY A 62 9.647 29.128 11.024 1.00 11.03 H new ATOM 888 N GLY A 63 10.072 29.081 13.841 1.00 22.32 N ATOM 889 CA GLY A 63 9.638 28.867 15.209 1.00 14.02 C ATOM 890 C GLY A 63 10.220 27.604 15.812 1.00 4.32 C ATOM 891 O GLY A 63 11.075 27.666 16.697 1.00 15.03 O ATOM 0 H GLY A 63 10.933 28.599 13.585 1.00 22.32 H new ATOM 0 HA2 GLY A 63 9.929 29.724 15.817 1.00 14.02 H new ATOM 0 HA3 GLY A 63 8.550 28.811 15.237 1.00 14.02 H new ATOM 895 N THR A 64 9.757 26.453 15.334 1.00 43.50 N ATOM 896 CA THR A 64 10.236 25.171 15.833 1.00 34.43 C ATOM 897 C THR A 64 9.583 24.012 15.087 1.00 45.41 C ATOM 898 O THR A 64 8.406 24.071 14.737 1.00 54.43 O ATOM 899 CB THR A 64 9.959 25.016 17.341 1.00 72.24 C ATOM 900 OG1 THR A 64 10.560 23.811 17.828 1.00 42.10 O ATOM 901 CG2 THR A 64 8.463 24.989 17.616 1.00 10.42 C ATOM 0 H THR A 64 9.051 26.383 14.602 1.00 43.50 H new ATOM 0 HA THR A 64 11.313 25.148 15.664 1.00 34.43 H new ATOM 0 HB THR A 64 10.392 25.872 17.858 1.00 72.24 H new ATOM 0 HG1 THR A 64 10.381 23.721 18.787 1.00 42.10 H new ATOM 0 HG21 THR A 64 8.292 24.879 18.687 1.00 10.42 H new ATOM 0 HG22 THR A 64 8.013 25.919 17.270 1.00 10.42 H new ATOM 0 HG23 THR A 64 8.011 24.149 17.088 1.00 10.42 H new ATOM 909 N GLY A 65 10.358 22.958 14.847 1.00 55.23 N ATOM 910 CA GLY A 65 9.837 21.800 14.143 1.00 11.54 C ATOM 911 C GLY A 65 8.953 22.182 12.972 1.00 4.44 C ATOM 912 O GLY A 65 7.913 21.566 12.744 1.00 64.41 O ATOM 0 H GLY A 65 11.336 22.885 15.127 1.00 55.23 H new ATOM 0 HA2 GLY A 65 10.668 21.193 13.784 1.00 11.54 H new ATOM 0 HA3 GLY A 65 9.268 21.182 14.838 1.00 11.54 H new ATOM 916 N ALA A 66 9.367 23.204 12.229 1.00 22.44 N ATOM 917 CA ALA A 66 8.606 23.667 11.076 1.00 61.33 C ATOM 918 C ALA A 66 9.467 23.675 9.817 1.00 22.22 C ATOM 919 O ALA A 66 10.696 23.661 9.894 1.00 40.34 O ATOM 920 CB ALA A 66 8.040 25.054 11.339 1.00 1.22 C ATOM 0 H ALA A 66 10.225 23.726 12.406 1.00 22.44 H new ATOM 0 HA ALA A 66 7.780 22.974 10.916 1.00 61.33 H new ATOM 0 HB1 ALA A 66 7.474 25.387 10.469 1.00 1.22 H new ATOM 0 HB2 ALA A 66 7.383 25.020 12.208 1.00 1.22 H new ATOM 0 HB3 ALA A 66 8.857 25.750 11.529 1.00 1.22 H new ATOM 926 N PHE A 67 8.815 23.696 8.660 1.00 51.14 N ATOM 927 CA PHE A 67 9.521 23.704 7.384 1.00 5.20 C ATOM 928 C PHE A 67 8.659 24.325 6.289 1.00 62.54 C ATOM 929 O PHE A 67 8.520 23.764 5.202 1.00 21.43 O ATOM 930 CB PHE A 67 9.921 22.281 6.989 1.00 24.03 C ATOM 931 CG PHE A 67 10.876 22.226 5.831 1.00 75.04 C ATOM 932 CD1 PHE A 67 12.190 22.640 5.978 1.00 74.41 C ATOM 933 CD2 PHE A 67 10.458 21.761 4.594 1.00 60.01 C ATOM 934 CE1 PHE A 67 13.070 22.590 4.914 1.00 63.02 C ATOM 935 CE2 PHE A 67 11.334 21.709 3.526 1.00 23.44 C ATOM 936 CZ PHE A 67 12.642 22.125 3.686 1.00 34.31 C ATOM 0 H PHE A 67 7.798 23.708 8.579 1.00 51.14 H new ATOM 0 HA PHE A 67 10.421 24.308 7.499 1.00 5.20 H new ATOM 0 HB2 PHE A 67 10.376 21.788 7.848 1.00 24.03 H new ATOM 0 HB3 PHE A 67 9.023 21.717 6.736 1.00 24.03 H new ATOM 0 HD1 PHE A 67 12.530 23.006 6.935 1.00 74.41 H new ATOM 0 HD2 PHE A 67 9.437 21.436 4.463 1.00 60.01 H new ATOM 0 HE1 PHE A 67 14.092 22.914 5.043 1.00 63.02 H new ATOM 0 HE2 PHE A 67 10.996 21.344 2.567 1.00 23.44 H new ATOM 0 HZ PHE A 67 13.328 22.087 2.853 1.00 34.31 H new ATOM 946 N GLU A 68 8.082 25.485 6.584 1.00 43.31 N ATOM 947 CA GLU A 68 7.232 26.181 5.625 1.00 44.02 C ATOM 948 C GLU A 68 8.065 26.781 4.495 1.00 32.12 C ATOM 949 O GLU A 68 8.959 27.593 4.733 1.00 1.21 O ATOM 950 CB GLU A 68 6.432 27.282 6.324 1.00 42.24 C ATOM 951 CG GLU A 68 5.342 26.754 7.241 1.00 62.32 C ATOM 952 CD GLU A 68 4.621 27.859 7.987 1.00 53.32 C ATOM 953 OE1 GLU A 68 4.751 29.033 7.579 1.00 63.51 O ATOM 954 OE2 GLU A 68 3.926 27.552 8.978 1.00 60.12 O ATOM 0 H GLU A 68 8.187 25.963 7.479 1.00 43.31 H new ATOM 0 HA GLU A 68 6.540 25.455 5.197 1.00 44.02 H new ATOM 0 HB2 GLU A 68 7.115 27.902 6.905 1.00 42.24 H new ATOM 0 HB3 GLU A 68 5.980 27.926 5.569 1.00 42.24 H new ATOM 0 HG2 GLU A 68 4.620 26.187 6.653 1.00 62.32 H new ATOM 0 HG3 GLU A 68 5.781 26.062 7.960 1.00 62.32 H new ATOM 961 N ILE A 69 7.764 26.374 3.266 1.00 2.25 N ATOM 962 CA ILE A 69 8.484 26.871 2.100 1.00 13.34 C ATOM 963 C ILE A 69 7.821 28.125 1.539 1.00 23.00 C ATOM 964 O ILE A 69 6.596 28.210 1.464 1.00 1.42 O ATOM 965 CB ILE A 69 8.563 25.806 0.991 1.00 32.32 C ATOM 966 CG1 ILE A 69 9.220 24.531 1.525 1.00 71.05 C ATOM 967 CG2 ILE A 69 9.332 26.344 -0.206 1.00 61.41 C ATOM 968 CD1 ILE A 69 9.073 23.343 0.600 1.00 42.15 C ATOM 0 H ILE A 69 7.027 25.702 3.052 1.00 2.25 H new ATOM 0 HA ILE A 69 9.494 27.113 2.432 1.00 13.34 H new ATOM 0 HB ILE A 69 7.551 25.563 0.668 1.00 32.32 H new ATOM 0 HG12 ILE A 69 10.280 24.721 1.693 1.00 71.05 H new ATOM 0 HG13 ILE A 69 8.783 24.284 2.492 1.00 71.05 H new ATOM 0 HG21 ILE A 69 9.379 25.580 -0.982 1.00 61.41 H new ATOM 0 HG22 ILE A 69 8.826 27.227 -0.597 1.00 61.41 H new ATOM 0 HG23 ILE A 69 10.343 26.612 0.101 1.00 61.41 H new ATOM 0 HD11 ILE A 69 9.562 22.475 1.042 1.00 42.15 H new ATOM 0 HD12 ILE A 69 8.015 23.127 0.451 1.00 42.15 H new ATOM 0 HD13 ILE A 69 9.536 23.570 -0.360 1.00 42.15 H new ATOM 980 N GLU A 70 8.641 29.094 1.144 1.00 12.53 N ATOM 981 CA GLU A 70 8.133 30.343 0.588 1.00 5.44 C ATOM 982 C GLU A 70 8.778 30.639 -0.763 1.00 32.10 C ATOM 983 O GLU A 70 9.916 31.104 -0.831 1.00 52.42 O ATOM 984 CB GLU A 70 8.395 31.501 1.554 1.00 21.14 C ATOM 985 CG GLU A 70 7.743 31.318 2.915 1.00 63.53 C ATOM 986 CD GLU A 70 8.506 32.013 4.025 1.00 13.44 C ATOM 987 OE1 GLU A 70 9.700 31.700 4.211 1.00 63.30 O ATOM 988 OE2 GLU A 70 7.908 32.871 4.709 1.00 65.20 O ATOM 0 H GLU A 70 9.658 29.038 1.198 1.00 12.53 H new ATOM 0 HA GLU A 70 7.058 30.236 0.443 1.00 5.44 H new ATOM 0 HB2 GLU A 70 9.471 31.615 1.688 1.00 21.14 H new ATOM 0 HB3 GLU A 70 8.030 32.426 1.107 1.00 21.14 H new ATOM 0 HG2 GLU A 70 6.725 31.706 2.881 1.00 63.53 H new ATOM 0 HG3 GLU A 70 7.672 30.254 3.139 1.00 63.53 H new ATOM 995 N ILE A 71 8.042 30.364 -1.835 1.00 3.50 N ATOM 996 CA ILE A 71 8.541 30.601 -3.184 1.00 2.10 C ATOM 997 C ILE A 71 8.676 32.094 -3.467 1.00 34.55 C ATOM 998 O ILE A 71 9.481 32.508 -4.299 1.00 72.32 O ATOM 999 CB ILE A 71 7.619 29.970 -4.244 1.00 11.41 C ATOM 1000 CG1 ILE A 71 8.294 29.993 -5.617 1.00 33.30 C ATOM 1001 CG2 ILE A 71 6.287 30.704 -4.291 1.00 34.35 C ATOM 1002 CD1 ILE A 71 9.448 29.023 -5.739 1.00 3.04 C ATOM 0 H ILE A 71 7.099 29.977 -1.795 1.00 3.50 H new ATOM 0 HA ILE A 71 9.523 30.133 -3.244 1.00 2.10 H new ATOM 0 HB ILE A 71 7.431 28.932 -3.969 1.00 11.41 H new ATOM 0 HG12 ILE A 71 7.552 29.761 -6.381 1.00 33.30 H new ATOM 0 HG13 ILE A 71 8.655 31.002 -5.819 1.00 33.30 H new ATOM 0 HG21 ILE A 71 5.646 30.247 -5.045 1.00 34.35 H new ATOM 0 HG22 ILE A 71 5.803 30.642 -3.317 1.00 34.35 H new ATOM 0 HG23 ILE A 71 6.457 31.750 -4.545 1.00 34.35 H new ATOM 0 HD11 ILE A 71 9.879 29.094 -6.738 1.00 3.04 H new ATOM 0 HD12 ILE A 71 10.209 29.268 -4.998 1.00 3.04 H new ATOM 0 HD13 ILE A 71 9.089 28.008 -5.569 1.00 3.04 H new ATOM 1014 N ASN A 72 7.882 32.897 -2.765 1.00 70.24 N ATOM 1015 CA ASN A 72 7.913 34.344 -2.940 1.00 1.42 C ATOM 1016 C ASN A 72 7.827 35.056 -1.593 1.00 53.53 C ATOM 1017 O ASN A 72 7.254 36.140 -1.488 1.00 12.02 O ATOM 1018 CB ASN A 72 6.763 34.795 -3.842 1.00 52.14 C ATOM 1019 CG ASN A 72 7.190 34.952 -5.289 1.00 23.10 C ATOM 1020 OD1 ASN A 72 7.177 36.055 -5.836 1.00 31.22 O ATOM 1021 ND2 ASN A 72 7.572 33.845 -5.916 1.00 44.41 N ATOM 0 H ASN A 72 7.210 32.570 -2.071 1.00 70.24 H new ATOM 0 HA ASN A 72 8.860 34.608 -3.411 1.00 1.42 H new ATOM 0 HB2 ASN A 72 5.952 34.069 -3.782 1.00 52.14 H new ATOM 0 HB3 ASN A 72 6.369 35.744 -3.477 1.00 52.14 H new ATOM 0 HD21 ASN A 72 7.871 33.888 -6.890 1.00 44.41 H new ATOM 0 HD22 ASN A 72 7.567 32.952 -5.423 1.00 44.41 H new ATOM 1028 N GLY A 73 8.401 34.439 -0.565 1.00 61.13 N ATOM 1029 CA GLY A 73 8.378 35.028 0.761 1.00 44.02 C ATOM 1030 C GLY A 73 7.128 34.662 1.536 1.00 4.34 C ATOM 1031 O GLY A 73 7.016 34.968 2.723 1.00 30.32 O ATOM 0 H GLY A 73 8.882 33.541 -0.627 1.00 61.13 H new ATOM 0 HA2 GLY A 73 9.256 34.699 1.317 1.00 44.02 H new ATOM 0 HA3 GLY A 73 8.444 36.113 0.675 1.00 44.02 H new ATOM 1035 N GLN A 74 6.187 34.008 0.864 1.00 11.20 N ATOM 1036 CA GLN A 74 4.938 33.603 1.498 1.00 11.21 C ATOM 1037 C GLN A 74 4.753 32.091 1.421 1.00 44.32 C ATOM 1038 O GLN A 74 5.212 31.447 0.476 1.00 34.24 O ATOM 1039 CB GLN A 74 3.753 34.308 0.835 1.00 10.05 C ATOM 1040 CG GLN A 74 3.642 35.781 1.196 1.00 33.42 C ATOM 1041 CD GLN A 74 3.015 36.002 2.559 1.00 64.11 C ATOM 1042 OE1 GLN A 74 1.796 36.120 2.683 1.00 70.42 O ATOM 1043 NE2 GLN A 74 3.849 36.060 3.591 1.00 35.53 N ATOM 0 H GLN A 74 6.265 33.747 -0.119 1.00 11.20 H new ATOM 0 HA GLN A 74 4.983 33.892 2.548 1.00 11.21 H new ATOM 0 HB2 GLN A 74 3.844 34.213 -0.247 1.00 10.05 H new ATOM 0 HB3 GLN A 74 2.832 33.801 1.123 1.00 10.05 H new ATOM 0 HG2 GLN A 74 4.635 36.231 1.180 1.00 33.42 H new ATOM 0 HG3 GLN A 74 3.047 36.293 0.439 1.00 33.42 H new ATOM 0 HE21 GLN A 74 4.853 35.957 3.442 1.00 35.53 H new ATOM 0 HE22 GLN A 74 3.486 36.208 4.533 1.00 35.53 H new ATOM 1052 N LEU A 75 4.080 31.531 2.419 1.00 24.35 N ATOM 1053 CA LEU A 75 3.835 30.093 2.465 1.00 2.31 C ATOM 1054 C LEU A 75 2.948 29.655 1.304 1.00 2.12 C ATOM 1055 O LEU A 75 1.826 30.137 1.150 1.00 12.13 O ATOM 1056 CB LEU A 75 3.182 29.709 3.794 1.00 2.41 C ATOM 1057 CG LEU A 75 2.872 28.224 3.985 1.00 3.33 C ATOM 1058 CD1 LEU A 75 4.139 27.393 3.854 1.00 42.45 C ATOM 1059 CD2 LEU A 75 2.214 27.986 5.337 1.00 45.42 C ATOM 0 H LEU A 75 3.694 32.050 3.208 1.00 24.35 H new ATOM 0 HA LEU A 75 4.794 29.583 2.378 1.00 2.31 H new ATOM 0 HB2 LEU A 75 3.837 30.030 4.604 1.00 2.41 H new ATOM 0 HB3 LEU A 75 2.253 30.270 3.895 1.00 2.41 H new ATOM 0 HG LEU A 75 2.176 27.915 3.205 1.00 3.33 H new ATOM 0 HD11 LEU A 75 3.899 26.339 3.993 1.00 42.45 H new ATOM 0 HD12 LEU A 75 4.569 27.540 2.863 1.00 42.45 H new ATOM 0 HD13 LEU A 75 4.858 27.704 4.612 1.00 42.45 H new ATOM 0 HD21 LEU A 75 2.000 26.924 5.456 1.00 45.42 H new ATOM 0 HD22 LEU A 75 2.886 28.312 6.131 1.00 45.42 H new ATOM 0 HD23 LEU A 75 1.284 28.552 5.394 1.00 45.42 H new ATOM 1071 N VAL A 76 3.458 28.736 0.490 1.00 4.33 N ATOM 1072 CA VAL A 76 2.712 28.230 -0.655 1.00 34.00 C ATOM 1073 C VAL A 76 2.467 26.730 -0.532 1.00 44.13 C ATOM 1074 O VAL A 76 1.562 26.184 -1.163 1.00 62.13 O ATOM 1075 CB VAL A 76 3.451 28.512 -1.976 1.00 52.34 C ATOM 1076 CG1 VAL A 76 2.626 28.036 -3.162 1.00 61.42 C ATOM 1077 CG2 VAL A 76 3.772 29.994 -2.101 1.00 13.12 C ATOM 0 H VAL A 76 4.385 28.327 0.603 1.00 4.33 H new ATOM 0 HA VAL A 76 1.755 28.752 -0.665 1.00 34.00 H new ATOM 0 HB VAL A 76 4.390 27.959 -1.971 1.00 52.34 H new ATOM 0 HG11 VAL A 76 3.164 28.244 -4.087 1.00 61.42 H new ATOM 0 HG12 VAL A 76 2.452 26.963 -3.077 1.00 61.42 H new ATOM 0 HG13 VAL A 76 1.670 28.559 -3.174 1.00 61.42 H new ATOM 0 HG21 VAL A 76 4.294 30.175 -3.040 1.00 13.12 H new ATOM 0 HG22 VAL A 76 2.846 30.569 -2.083 1.00 13.12 H new ATOM 0 HG23 VAL A 76 4.406 30.301 -1.269 1.00 13.12 H new ATOM 1087 N PHE A 77 3.281 26.069 0.285 1.00 74.24 N ATOM 1088 CA PHE A 77 3.154 24.631 0.490 1.00 34.33 C ATOM 1089 C PHE A 77 3.762 24.217 1.827 1.00 34.22 C ATOM 1090 O PHE A 77 4.923 23.814 1.895 1.00 33.21 O ATOM 1091 CB PHE A 77 3.833 23.869 -0.649 1.00 42.05 C ATOM 1092 CG PHE A 77 2.991 23.769 -1.889 1.00 61.32 C ATOM 1093 CD1 PHE A 77 1.898 22.919 -1.933 1.00 32.40 C ATOM 1094 CD2 PHE A 77 3.293 24.525 -3.010 1.00 74.35 C ATOM 1095 CE1 PHE A 77 1.122 22.824 -3.073 1.00 31.12 C ATOM 1096 CE2 PHE A 77 2.520 24.434 -4.153 1.00 50.51 C ATOM 1097 CZ PHE A 77 1.433 23.584 -4.184 1.00 34.43 C ATOM 0 H PHE A 77 4.035 26.506 0.815 1.00 74.24 H new ATOM 0 HA PHE A 77 2.093 24.384 0.500 1.00 34.33 H new ATOM 0 HB2 PHE A 77 4.773 24.363 -0.896 1.00 42.05 H new ATOM 0 HB3 PHE A 77 4.081 22.865 -0.306 1.00 42.05 H new ATOM 0 HD1 PHE A 77 1.649 22.324 -1.067 1.00 32.40 H new ATOM 0 HD2 PHE A 77 4.142 25.193 -2.991 1.00 74.35 H new ATOM 0 HE1 PHE A 77 0.273 22.156 -3.095 1.00 31.12 H new ATOM 0 HE2 PHE A 77 2.767 25.028 -5.021 1.00 50.51 H new ATOM 0 HZ PHE A 77 0.827 23.513 -5.075 1.00 34.43 H new ATOM 1107 N SER A 78 2.968 24.320 2.889 1.00 62.03 N ATOM 1108 CA SER A 78 3.428 23.961 4.225 1.00 65.01 C ATOM 1109 C SER A 78 3.878 22.504 4.271 1.00 30.24 C ATOM 1110 O SER A 78 3.245 21.627 3.682 1.00 3.12 O ATOM 1111 CB SER A 78 2.318 24.197 5.250 1.00 31.24 C ATOM 1112 OG SER A 78 1.045 24.214 4.628 1.00 33.14 O ATOM 0 H SER A 78 2.003 24.649 2.849 1.00 62.03 H new ATOM 0 HA SER A 78 4.280 24.594 4.472 1.00 65.01 H new ATOM 0 HB2 SER A 78 2.346 23.414 6.008 1.00 31.24 H new ATOM 0 HB3 SER A 78 2.488 25.143 5.764 1.00 31.24 H new ATOM 0 HG SER A 78 0.402 24.668 5.212 1.00 33.14 H new ATOM 1118 N LYS A 79 4.976 22.252 4.976 1.00 12.13 N ATOM 1119 CA LYS A 79 5.512 20.902 5.103 1.00 51.14 C ATOM 1120 C LYS A 79 4.862 20.165 6.269 1.00 12.44 C ATOM 1121 O LYS A 79 4.826 18.934 6.297 1.00 11.52 O ATOM 1122 CB LYS A 79 7.029 20.950 5.297 1.00 20.24 C ATOM 1123 CG LYS A 79 7.597 19.706 5.959 1.00 14.25 C ATOM 1124 CD LYS A 79 7.393 18.473 5.096 1.00 31.52 C ATOM 1125 CE LYS A 79 8.606 18.199 4.220 1.00 32.22 C ATOM 1126 NZ LYS A 79 8.645 19.095 3.031 1.00 31.43 N ATOM 0 H LYS A 79 5.512 22.966 5.469 1.00 12.13 H new ATOM 0 HA LYS A 79 5.286 20.361 4.184 1.00 51.14 H new ATOM 0 HB2 LYS A 79 7.507 21.085 4.327 1.00 20.24 H new ATOM 0 HB3 LYS A 79 7.282 21.821 5.901 1.00 20.24 H new ATOM 0 HG2 LYS A 79 8.661 19.847 6.148 1.00 14.25 H new ATOM 0 HG3 LYS A 79 7.118 19.557 6.927 1.00 14.25 H new ATOM 0 HD2 LYS A 79 7.200 17.610 5.733 1.00 31.52 H new ATOM 0 HD3 LYS A 79 6.512 18.609 4.468 1.00 31.52 H new ATOM 0 HE2 LYS A 79 9.515 18.333 4.806 1.00 32.22 H new ATOM 0 HE3 LYS A 79 8.589 17.160 3.891 1.00 32.22 H new ATOM 0 HZ1 LYS A 79 9.007 18.568 2.211 1.00 31.43 H new ATOM 0 HZ2 LYS A 79 7.686 19.440 2.825 1.00 31.43 H new ATOM 0 HZ3 LYS A 79 9.270 19.903 3.226 1.00 31.43 H new ATOM 1140 N LEU A 80 4.348 20.925 7.230 1.00 10.42 N ATOM 1141 CA LEU A 80 3.697 20.344 8.399 1.00 1.54 C ATOM 1142 C LEU A 80 2.249 19.977 8.090 1.00 3.24 C ATOM 1143 O LEU A 80 1.699 19.043 8.672 1.00 72.12 O ATOM 1144 CB LEU A 80 3.748 21.323 9.574 1.00 35.23 C ATOM 1145 CG LEU A 80 5.136 21.826 9.970 1.00 63.32 C ATOM 1146 CD1 LEU A 80 5.443 23.146 9.280 1.00 75.23 C ATOM 1147 CD2 LEU A 80 5.239 21.975 11.481 1.00 40.23 C ATOM 0 H LEU A 80 4.369 21.945 7.223 1.00 10.42 H new ATOM 0 HA LEU A 80 4.233 19.434 8.668 1.00 1.54 H new ATOM 0 HB2 LEU A 80 3.127 22.185 9.329 1.00 35.23 H new ATOM 0 HB3 LEU A 80 3.297 20.841 10.442 1.00 35.23 H new ATOM 0 HG LEU A 80 5.873 21.091 9.647 1.00 63.32 H new ATOM 0 HD11 LEU A 80 6.435 23.488 9.574 1.00 75.23 H new ATOM 0 HD12 LEU A 80 5.413 23.007 8.199 1.00 75.23 H new ATOM 0 HD13 LEU A 80 4.701 23.890 9.571 1.00 75.23 H new ATOM 0 HD21 LEU A 80 6.234 22.334 11.744 1.00 40.23 H new ATOM 0 HD22 LEU A 80 4.492 22.689 11.828 1.00 40.23 H new ATOM 0 HD23 LEU A 80 5.065 21.009 11.955 1.00 40.23 H new ATOM 1159 N GLU A 81 1.640 20.718 7.170 1.00 33.11 N ATOM 1160 CA GLU A 81 0.256 20.468 6.783 1.00 0.43 C ATOM 1161 C GLU A 81 0.185 19.479 5.624 1.00 62.12 C ATOM 1162 O GLU A 81 -0.482 18.449 5.713 1.00 42.12 O ATOM 1163 CB GLU A 81 -0.432 21.778 6.393 1.00 1.31 C ATOM 1164 CG GLU A 81 -0.159 22.920 7.358 1.00 71.02 C ATOM 1165 CD GLU A 81 -0.607 22.608 8.773 1.00 63.14 C ATOM 1166 OE1 GLU A 81 -1.818 22.384 8.976 1.00 30.24 O ATOM 1167 OE2 GLU A 81 0.255 22.588 9.676 1.00 24.40 O ATOM 0 H GLU A 81 2.082 21.495 6.679 1.00 33.11 H new ATOM 0 HA GLU A 81 -0.261 20.035 7.639 1.00 0.43 H new ATOM 0 HB2 GLU A 81 -0.102 22.069 5.396 1.00 1.31 H new ATOM 0 HB3 GLU A 81 -1.508 21.611 6.336 1.00 1.31 H new ATOM 0 HG2 GLU A 81 0.908 23.142 7.359 1.00 71.02 H new ATOM 0 HG3 GLU A 81 -0.671 23.817 7.008 1.00 71.02 H new ATOM 1174 N ASN A 82 0.878 19.800 4.536 1.00 0.50 N ATOM 1175 CA ASN A 82 0.893 18.941 3.358 1.00 43.12 C ATOM 1176 C ASN A 82 1.334 17.527 3.722 1.00 70.41 C ATOM 1177 O ASN A 82 0.767 16.546 3.243 1.00 71.34 O ATOM 1178 CB ASN A 82 1.826 19.519 2.291 1.00 13.23 C ATOM 1179 CG ASN A 82 1.688 18.811 0.957 1.00 12.04 C ATOM 1180 OD1 ASN A 82 0.741 19.053 0.209 1.00 70.23 O ATOM 1181 ND2 ASN A 82 2.635 17.931 0.655 1.00 74.45 N ATOM 0 H ASN A 82 1.436 20.649 4.446 1.00 0.50 H new ATOM 0 HA ASN A 82 -0.120 18.896 2.959 1.00 43.12 H new ATOM 0 HB2 ASN A 82 1.611 20.580 2.160 1.00 13.23 H new ATOM 0 HB3 ASN A 82 2.858 19.443 2.635 1.00 13.23 H new ATOM 0 HD21 ASN A 82 2.596 17.423 -0.229 1.00 74.45 H new ATOM 0 HD22 ASN A 82 3.402 17.763 1.307 1.00 74.45 H new ATOM 1188 N GLY A 83 2.350 17.430 4.574 1.00 30.13 N ATOM 1189 CA GLY A 83 2.849 16.132 4.989 1.00 64.11 C ATOM 1190 C GLY A 83 4.193 15.803 4.369 1.00 21.23 C ATOM 1191 O GLY A 83 4.741 14.724 4.594 1.00 52.40 O ATOM 0 H GLY A 83 2.836 18.227 4.984 1.00 30.13 H new ATOM 0 HA2 GLY A 83 2.938 16.111 6.075 1.00 64.11 H new ATOM 0 HA3 GLY A 83 2.127 15.363 4.713 1.00 64.11 H new ATOM 1236 N TYR A 87 9.047 17.275 -4.529 1.00 72.22 N ATOM 1237 CA TYR A 87 9.293 16.824 -5.894 1.00 31.22 C ATOM 1238 C TYR A 87 10.250 17.768 -6.615 1.00 70.33 C ATOM 1239 O TYR A 87 10.075 18.985 -6.588 1.00 4.40 O ATOM 1240 CB TYR A 87 7.976 16.726 -6.666 1.00 42.22 C ATOM 1241 CG TYR A 87 6.879 16.018 -5.905 1.00 33.40 C ATOM 1242 CD1 TYR A 87 6.882 14.635 -5.768 1.00 53.04 C ATOM 1243 CD2 TYR A 87 5.839 16.731 -5.321 1.00 40.33 C ATOM 1244 CE1 TYR A 87 5.881 13.984 -5.074 1.00 75.45 C ATOM 1245 CE2 TYR A 87 4.834 16.088 -4.624 1.00 44.32 C ATOM 1246 CZ TYR A 87 4.859 14.715 -4.504 1.00 63.50 C ATOM 1247 OH TYR A 87 3.861 14.069 -3.811 1.00 11.53 O ATOM 0 HA TYR A 87 9.753 15.837 -5.847 1.00 31.22 H new ATOM 0 HB2 TYR A 87 7.639 17.731 -6.922 1.00 42.22 H new ATOM 0 HB3 TYR A 87 8.153 16.201 -7.604 1.00 42.22 H new ATOM 0 HD1 TYR A 87 7.681 14.059 -6.212 1.00 53.04 H new ATOM 0 HD2 TYR A 87 5.816 17.807 -5.414 1.00 40.33 H new ATOM 0 HE1 TYR A 87 5.898 12.908 -4.978 1.00 75.45 H new ATOM 0 HE2 TYR A 87 4.034 16.658 -4.176 1.00 44.32 H new ATOM 0 HH TYR A 87 3.219 14.727 -3.472 1.00 11.53 H new ATOM 1257 N GLU A 88 11.261 17.195 -7.261 1.00 23.04 N ATOM 1258 CA GLU A 88 12.247 17.985 -7.990 1.00 33.24 C ATOM 1259 C GLU A 88 11.566 18.918 -8.987 1.00 60.20 C ATOM 1260 O GLU A 88 12.107 19.964 -9.346 1.00 65.41 O ATOM 1261 CB GLU A 88 13.229 17.067 -8.721 1.00 54.20 C ATOM 1262 CG GLU A 88 12.615 16.341 -9.906 1.00 62.33 C ATOM 1263 CD GLU A 88 12.660 17.162 -11.180 1.00 70.54 C ATOM 1264 OE1 GLU A 88 13.237 18.269 -11.152 1.00 13.00 O ATOM 1265 OE2 GLU A 88 12.119 16.697 -12.205 1.00 54.23 O ATOM 0 H GLU A 88 11.419 16.188 -7.294 1.00 23.04 H new ATOM 0 HA GLU A 88 12.796 18.591 -7.269 1.00 33.24 H new ATOM 0 HB2 GLU A 88 14.077 17.658 -9.067 1.00 54.20 H new ATOM 0 HB3 GLU A 88 13.619 16.332 -8.017 1.00 54.20 H new ATOM 0 HG2 GLU A 88 13.144 15.401 -10.065 1.00 62.33 H new ATOM 0 HG3 GLU A 88 11.580 16.090 -9.677 1.00 62.33 H new ATOM 1272 N LYS A 89 10.375 18.531 -9.432 1.00 1.42 N ATOM 1273 CA LYS A 89 9.618 19.332 -10.387 1.00 61.52 C ATOM 1274 C LYS A 89 8.740 20.350 -9.668 1.00 52.52 C ATOM 1275 O LYS A 89 8.439 21.415 -10.208 1.00 52.21 O ATOM 1276 CB LYS A 89 8.753 18.428 -11.268 1.00 34.40 C ATOM 1277 CG LYS A 89 7.671 17.687 -10.501 1.00 72.34 C ATOM 1278 CD LYS A 89 7.093 16.543 -11.318 1.00 32.23 C ATOM 1279 CE LYS A 89 7.870 15.254 -11.099 1.00 71.22 C ATOM 1280 NZ LYS A 89 7.144 14.070 -11.637 1.00 14.20 N ATOM 0 H LYS A 89 9.913 17.667 -9.146 1.00 1.42 H new ATOM 0 HA LYS A 89 10.328 19.871 -11.015 1.00 61.52 H new ATOM 0 HB2 LYS A 89 8.286 19.032 -12.046 1.00 34.40 H new ATOM 0 HB3 LYS A 89 9.394 17.702 -11.769 1.00 34.40 H new ATOM 0 HG2 LYS A 89 8.085 17.298 -9.570 1.00 72.34 H new ATOM 0 HG3 LYS A 89 6.875 18.381 -10.231 1.00 72.34 H new ATOM 0 HD2 LYS A 89 6.049 16.391 -11.045 1.00 32.23 H new ATOM 0 HD3 LYS A 89 7.111 16.805 -12.376 1.00 32.23 H new ATOM 0 HE2 LYS A 89 8.845 15.332 -11.580 1.00 71.22 H new ATOM 0 HE3 LYS A 89 8.051 15.116 -10.033 1.00 71.22 H new ATOM 0 HZ1 LYS A 89 7.706 13.212 -11.468 1.00 14.20 H new ATOM 0 HZ2 LYS A 89 6.224 13.981 -11.160 1.00 14.20 H new ATOM 0 HZ3 LYS A 89 6.994 14.190 -12.659 1.00 14.20 H new ATOM 1294 N ASP A 90 8.333 20.018 -8.448 1.00 62.21 N ATOM 1295 CA ASP A 90 7.491 20.905 -7.654 1.00 45.41 C ATOM 1296 C ASP A 90 8.306 22.064 -7.087 1.00 62.13 C ATOM 1297 O ASP A 90 7.751 23.075 -6.657 1.00 13.52 O ATOM 1298 CB ASP A 90 6.826 20.129 -6.517 1.00 13.33 C ATOM 1299 CG ASP A 90 5.871 20.988 -5.711 1.00 4.44 C ATOM 1300 OD1 ASP A 90 4.873 21.468 -6.287 1.00 73.14 O ATOM 1301 OD2 ASP A 90 6.123 21.181 -4.503 1.00 31.52 O ATOM 0 H ASP A 90 8.573 19.140 -7.987 1.00 62.21 H new ATOM 0 HA ASP A 90 6.718 21.312 -8.306 1.00 45.41 H new ATOM 0 HB2 ASP A 90 6.284 19.278 -6.930 1.00 13.33 H new ATOM 0 HB3 ASP A 90 7.595 19.728 -5.857 1.00 13.33 H new ATOM 1306 N LEU A 91 9.626 21.909 -7.089 1.00 54.12 N ATOM 1307 CA LEU A 91 10.518 22.942 -6.574 1.00 52.02 C ATOM 1308 C LEU A 91 11.024 23.836 -7.702 1.00 12.23 C ATOM 1309 O LEU A 91 11.500 24.946 -7.461 1.00 24.34 O ATOM 1310 CB LEU A 91 11.701 22.304 -5.844 1.00 31.00 C ATOM 1311 CG LEU A 91 11.440 21.858 -4.405 1.00 10.33 C ATOM 1312 CD1 LEU A 91 12.414 20.763 -4.000 1.00 61.33 C ATOM 1313 CD2 LEU A 91 11.541 23.042 -3.453 1.00 74.24 C ATOM 0 H LEU A 91 10.102 21.078 -7.441 1.00 54.12 H new ATOM 0 HA LEU A 91 9.955 23.557 -5.872 1.00 52.02 H new ATOM 0 HB2 LEU A 91 12.032 21.438 -6.417 1.00 31.00 H new ATOM 0 HB3 LEU A 91 12.526 23.017 -5.838 1.00 31.00 H new ATOM 0 HG LEU A 91 10.429 21.456 -4.348 1.00 10.33 H new ATOM 0 HD11 LEU A 91 12.213 20.459 -2.973 1.00 61.33 H new ATOM 0 HD12 LEU A 91 12.294 19.906 -4.663 1.00 61.33 H new ATOM 0 HD13 LEU A 91 13.435 21.138 -4.074 1.00 61.33 H new ATOM 0 HD21 LEU A 91 11.352 22.706 -2.433 1.00 74.24 H new ATOM 0 HD22 LEU A 91 12.540 23.474 -3.514 1.00 74.24 H new ATOM 0 HD23 LEU A 91 10.803 23.795 -3.729 1.00 74.24 H new ATOM 1325 N ILE A 92 10.915 23.347 -8.932 1.00 72.31 N ATOM 1326 CA ILE A 92 11.358 24.103 -10.097 1.00 2.14 C ATOM 1327 C ILE A 92 10.174 24.709 -10.842 1.00 10.32 C ATOM 1328 O ILE A 92 10.294 25.764 -11.463 1.00 41.44 O ATOM 1329 CB ILE A 92 12.164 23.220 -11.068 1.00 1.42 C ATOM 1330 CG1 ILE A 92 12.887 24.088 -12.100 1.00 53.21 C ATOM 1331 CG2 ILE A 92 11.249 22.219 -11.757 1.00 1.11 C ATOM 1332 CD1 ILE A 92 14.293 23.621 -12.405 1.00 33.44 C ATOM 0 H ILE A 92 10.524 22.430 -9.148 1.00 72.31 H new ATOM 0 HA ILE A 92 12.000 24.903 -9.728 1.00 2.14 H new ATOM 0 HB ILE A 92 12.911 22.667 -10.499 1.00 1.42 H new ATOM 0 HG12 ILE A 92 12.308 24.098 -13.023 1.00 53.21 H new ATOM 0 HG13 ILE A 92 12.925 25.115 -11.736 1.00 53.21 H new ATOM 0 HG21 ILE A 92 11.833 21.602 -12.440 1.00 1.11 H new ATOM 0 HG22 ILE A 92 10.776 21.583 -11.009 1.00 1.11 H new ATOM 0 HG23 ILE A 92 10.481 22.753 -12.317 1.00 1.11 H new ATOM 0 HD11 ILE A 92 14.744 24.283 -13.144 1.00 33.44 H new ATOM 0 HD12 ILE A 92 14.888 23.638 -11.492 1.00 33.44 H new ATOM 0 HD13 ILE A 92 14.262 22.605 -12.799 1.00 33.44 H new ATOM 1344 N GLU A 93 9.030 24.035 -10.773 1.00 3.11 N ATOM 1345 CA GLU A 93 7.824 24.509 -11.441 1.00 33.33 C ATOM 1346 C GLU A 93 7.247 25.726 -10.723 1.00 73.32 C ATOM 1347 O GLU A 93 6.471 26.488 -11.298 1.00 40.54 O ATOM 1348 CB GLU A 93 6.777 23.395 -11.501 1.00 34.40 C ATOM 1349 CG GLU A 93 6.101 23.122 -10.168 1.00 34.02 C ATOM 1350 CD GLU A 93 5.208 21.897 -10.206 1.00 60.31 C ATOM 1351 OE1 GLU A 93 5.640 20.866 -10.763 1.00 25.33 O ATOM 1352 OE2 GLU A 93 4.078 21.969 -9.680 1.00 72.42 O ATOM 0 H GLU A 93 8.913 23.160 -10.262 1.00 3.11 H new ATOM 0 HA GLU A 93 8.092 24.801 -12.456 1.00 33.33 H new ATOM 0 HB2 GLU A 93 6.017 23.661 -12.236 1.00 34.40 H new ATOM 0 HB3 GLU A 93 7.253 22.479 -11.852 1.00 34.40 H new ATOM 0 HG2 GLU A 93 6.862 22.988 -9.400 1.00 34.02 H new ATOM 0 HG3 GLU A 93 5.508 23.990 -9.881 1.00 34.02 H new ATOM 1359 N ALA A 94 7.631 25.900 -9.463 1.00 62.50 N ATOM 1360 CA ALA A 94 7.154 27.023 -8.667 1.00 0.41 C ATOM 1361 C ALA A 94 7.713 28.343 -9.189 1.00 71.41 C ATOM 1362 O ALA A 94 6.961 29.223 -9.610 1.00 23.51 O ATOM 1363 CB ALA A 94 7.529 26.831 -7.205 1.00 14.22 C ATOM 0 H ALA A 94 8.272 25.277 -8.971 1.00 62.50 H new ATOM 0 HA ALA A 94 6.068 27.060 -8.751 1.00 0.41 H new ATOM 0 HB1 ALA A 94 7.166 27.678 -6.622 1.00 14.22 H new ATOM 0 HB2 ALA A 94 7.077 25.913 -6.831 1.00 14.22 H new ATOM 0 HB3 ALA A 94 8.613 26.765 -7.113 1.00 14.22 H new ATOM 1369 N ILE A 95 9.035 28.473 -9.158 1.00 52.24 N ATOM 1370 CA ILE A 95 9.693 29.685 -9.629 1.00 43.42 C ATOM 1371 C ILE A 95 9.341 29.972 -11.085 1.00 11.42 C ATOM 1372 O ILE A 95 9.340 31.125 -11.518 1.00 65.34 O ATOM 1373 CB ILE A 95 11.224 29.583 -9.494 1.00 1.42 C ATOM 1374 CG1 ILE A 95 11.749 28.381 -10.282 1.00 53.51 C ATOM 1375 CG2 ILE A 95 11.620 29.477 -8.029 1.00 23.32 C ATOM 1376 CD1 ILE A 95 12.080 28.702 -11.723 1.00 33.41 C ATOM 0 H ILE A 95 9.671 27.754 -8.812 1.00 52.24 H new ATOM 0 HA ILE A 95 9.334 30.502 -9.003 1.00 43.42 H new ATOM 0 HB ILE A 95 11.671 30.487 -9.907 1.00 1.42 H new ATOM 0 HG12 ILE A 95 12.642 27.996 -9.790 1.00 53.51 H new ATOM 0 HG13 ILE A 95 11.003 27.586 -10.257 1.00 53.51 H new ATOM 0 HG21 ILE A 95 12.705 29.406 -7.950 1.00 23.32 H new ATOM 0 HG22 ILE A 95 11.274 30.361 -7.494 1.00 23.32 H new ATOM 0 HG23 ILE A 95 11.165 28.588 -7.593 1.00 23.32 H new ATOM 0 HD11 ILE A 95 12.446 27.804 -12.221 1.00 33.41 H new ATOM 0 HD12 ILE A 95 11.184 29.059 -12.231 1.00 33.41 H new ATOM 0 HD13 ILE A 95 12.848 29.474 -11.756 1.00 33.41 H new ATOM 1388 N ARG A 96 9.040 28.917 -11.834 1.00 72.02 N ATOM 1389 CA ARG A 96 8.685 29.055 -13.241 1.00 53.44 C ATOM 1390 C ARG A 96 7.351 29.781 -13.397 1.00 23.12 C ATOM 1391 O ARG A 96 7.177 30.592 -14.306 1.00 1.40 O ATOM 1392 CB ARG A 96 8.610 27.681 -13.908 1.00 62.33 C ATOM 1393 CG ARG A 96 8.698 27.734 -15.425 1.00 24.33 C ATOM 1394 CD ARG A 96 10.143 27.722 -15.899 1.00 61.44 C ATOM 1395 NE ARG A 96 10.241 27.619 -17.353 1.00 33.20 N ATOM 1396 CZ ARG A 96 11.355 27.281 -17.993 1.00 33.44 C ATOM 1397 NH1 ARG A 96 12.460 27.014 -17.310 1.00 72.44 N ATOM 1398 NH2 ARG A 96 11.365 27.208 -19.317 1.00 53.45 N ATOM 0 H ARG A 96 9.035 27.957 -11.490 1.00 72.02 H new ATOM 0 HA ARG A 96 9.460 29.646 -13.728 1.00 53.44 H new ATOM 0 HB2 ARG A 96 9.419 27.057 -13.527 1.00 62.33 H new ATOM 0 HB3 ARG A 96 7.675 27.199 -13.623 1.00 62.33 H new ATOM 0 HG2 ARG A 96 8.167 26.883 -15.851 1.00 24.33 H new ATOM 0 HG3 ARG A 96 8.202 28.634 -15.788 1.00 24.33 H new ATOM 0 HD2 ARG A 96 10.642 28.632 -15.566 1.00 61.44 H new ATOM 0 HD3 ARG A 96 10.668 26.884 -15.440 1.00 61.44 H new ATOM 0 HE ARG A 96 9.408 27.818 -17.907 1.00 33.20 H new ATOM 0 HH11 ARG A 96 12.456 27.068 -16.291 1.00 72.44 H new ATOM 0 HH12 ARG A 96 13.314 26.755 -17.803 1.00 72.44 H new ATOM 0 HH21 ARG A 96 10.517 27.412 -19.845 1.00 53.45 H new ATOM 0 HH22 ARG A 96 12.221 26.948 -19.807 1.00 53.45 H new ATOM 1412 N ARG A 97 6.413 29.482 -12.504 1.00 4.13 N ATOM 1413 CA ARG A 97 5.095 30.104 -12.543 1.00 5.23 C ATOM 1414 C ARG A 97 5.061 31.360 -11.677 1.00 45.52 C ATOM 1415 O ARG A 97 4.140 32.170 -11.777 1.00 1.01 O ATOM 1416 CB ARG A 97 4.028 29.117 -12.069 1.00 34.50 C ATOM 1417 CG ARG A 97 3.431 28.280 -13.190 1.00 4.45 C ATOM 1418 CD ARG A 97 2.963 26.925 -12.684 1.00 72.23 C ATOM 1419 NE ARG A 97 3.028 25.901 -13.724 1.00 31.13 N ATOM 1420 CZ ARG A 97 2.851 24.605 -13.491 1.00 1.11 C ATOM 1421 NH1 ARG A 97 2.599 24.177 -12.261 1.00 44.34 N ATOM 1422 NH2 ARG A 97 2.925 23.734 -14.489 1.00 45.22 N ATOM 0 H ARG A 97 6.541 28.813 -11.745 1.00 4.13 H new ATOM 0 HA ARG A 97 4.885 30.388 -13.574 1.00 5.23 H new ATOM 0 HB2 ARG A 97 4.465 28.452 -11.324 1.00 34.50 H new ATOM 0 HB3 ARG A 97 3.229 29.669 -11.574 1.00 34.50 H new ATOM 0 HG2 ARG A 97 2.591 28.813 -13.636 1.00 4.45 H new ATOM 0 HG3 ARG A 97 4.173 28.140 -13.976 1.00 4.45 H new ATOM 0 HD2 ARG A 97 3.579 26.622 -11.837 1.00 72.23 H new ATOM 0 HD3 ARG A 97 1.939 27.008 -12.320 1.00 72.23 H new ATOM 0 HE ARG A 97 3.220 26.197 -14.681 1.00 31.13 H new ATOM 0 HH11 ARG A 97 2.541 24.843 -11.491 1.00 44.34 H new ATOM 0 HH12 ARG A 97 2.464 23.181 -12.085 1.00 44.34 H new ATOM 0 HH21 ARG A 97 3.118 24.059 -15.436 1.00 45.22 H new ATOM 0 HH22 ARG A 97 2.789 22.739 -14.309 1.00 45.22 H new ATOM 1436 N ALA A 98 6.072 31.515 -10.828 1.00 50.30 N ATOM 1437 CA ALA A 98 6.158 32.673 -9.946 1.00 65.24 C ATOM 1438 C ALA A 98 6.922 33.813 -10.611 1.00 53.42 C ATOM 1439 O ALA A 98 6.638 34.987 -10.370 1.00 74.41 O ATOM 1440 CB ALA A 98 6.821 32.287 -8.632 1.00 43.03 C ATOM 0 H ALA A 98 6.843 30.854 -10.732 1.00 50.30 H new ATOM 0 HA ALA A 98 5.145 33.020 -9.741 1.00 65.24 H new ATOM 0 HB1 ALA A 98 6.879 33.161 -7.983 1.00 43.03 H new ATOM 0 HB2 ALA A 98 6.234 31.510 -8.143 1.00 43.03 H new ATOM 0 HB3 ALA A 98 7.826 31.913 -8.828 1.00 43.03 H new ATOM 1446 N SER A 99 7.892 33.461 -11.448 1.00 41.14 N ATOM 1447 CA SER A 99 8.700 34.456 -12.145 1.00 34.13 C ATOM 1448 C SER A 99 7.885 35.155 -13.229 1.00 32.40 C ATOM 1449 O SER A 99 8.296 36.183 -13.764 1.00 2.34 O ATOM 1450 CB SER A 99 9.935 33.799 -12.763 1.00 60.21 C ATOM 1451 OG SER A 99 10.908 34.768 -13.112 1.00 55.54 O ATOM 0 H SER A 99 8.138 32.494 -11.660 1.00 41.14 H new ATOM 0 HA SER A 99 9.020 35.202 -11.418 1.00 34.13 H new ATOM 0 HB2 SER A 99 10.363 33.087 -12.058 1.00 60.21 H new ATOM 0 HB3 SER A 99 9.645 33.235 -13.649 1.00 60.21 H new ATOM 0 HG SER A 99 11.788 34.341 -13.170 1.00 55.54 H new ATOM 1457 N ASN A 100 6.726 34.587 -13.548 1.00 22.11 N ATOM 1458 CA ASN A 100 5.853 35.154 -14.569 1.00 14.02 C ATOM 1459 C ASN A 100 5.056 36.329 -14.011 1.00 53.40 C ATOM 1460 O ASN A 100 4.629 37.212 -14.754 1.00 73.12 O ATOM 1461 CB ASN A 100 4.898 34.085 -15.104 1.00 63.34 C ATOM 1462 CG ASN A 100 4.441 34.375 -16.521 1.00 13.22 C ATOM 1463 OD1 ASN A 100 5.157 35.004 -17.300 1.00 23.12 O ATOM 1464 ND2 ASN A 100 3.241 33.918 -16.860 1.00 63.45 N ATOM 0 H ASN A 100 6.370 33.735 -13.114 1.00 22.11 H new ATOM 0 HA ASN A 100 6.478 35.516 -15.386 1.00 14.02 H new ATOM 0 HB2 ASN A 100 5.392 33.114 -15.076 1.00 63.34 H new ATOM 0 HB3 ASN A 100 4.028 34.019 -14.451 1.00 63.34 H new ATOM 0 HD21 ASN A 100 2.879 34.084 -17.799 1.00 63.45 H new ATOM 0 HD22 ASN A 100 2.682 33.401 -16.181 1.00 63.45 H new