USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 555 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 19 SER OG : rot -130:sc= -0.35 USER MOD Single : A 23 SER OG : rot -55:sc= 0.0333 USER MOD Single : A 24 LYS NZ :NH3+ -123:sc= 1.17 (180deg=0.545) USER MOD Single : A 30 ASN : amide:sc= -0.128! C(o=-0.13!,f=-5.1!) USER MOD Single : A 31 LYS NZ :NH3+ -169:sc=-0.00365 (180deg=-0.133) USER MOD Single : A 35 SER OG : rot -28:sc= 0.5 USER MOD Single : A 37 THR OG1 : rot -37:sc= 0.821 USER MOD Single : A 39 GLN : amide:sc= 0.749 K(o=0.75,f=0) USER MOD Single : A 44 SER OG : rot 170:sc= 0.944 USER MOD Single : A 46 GLN : amide:sc= -0.0379 K(o=-0.038,f=-5.9!) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 56 THR OG1 : rot 8:sc= 0.466 USER MOD Single : A 60 LYS NZ :NH3+ -156:sc= 1.21 (180deg=0.322) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 68 SER OG : rot -37:sc= 0.812 USER MOD Single : A 80 THR OG1 : rot -152:sc= 0.836 USER MOD Single : A 82 GLN : amide:sc= -4.3! K(o=-4.3!,f=-1.4) USER MOD Single : A 85 ASN : amide:sc= -0.69 K(o=-0.69,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 289 N LEU A 18 -8.002 -11.780 -0.206 1.00 3.51 N ATOM 290 CA LEU A 18 -7.257 -10.715 0.468 1.00 13.44 C ATOM 291 C LEU A 18 -6.345 -11.302 1.563 1.00 4.32 C ATOM 292 O LEU A 18 -6.817 -11.932 2.512 1.00 32.42 O ATOM 293 CB LEU A 18 -8.253 -9.686 1.042 1.00 31.55 C ATOM 294 CG LEU A 18 -7.654 -8.379 1.610 1.00 54.01 C ATOM 295 CD1 LEU A 18 -7.182 -8.553 3.052 1.00 24.04 C ATOM 296 CD2 LEU A 18 -6.512 -7.875 0.724 1.00 52.43 C ATOM 0 HA LEU A 18 -6.610 -10.207 -0.247 1.00 13.44 H new ATOM 0 HB2 LEU A 18 -8.960 -9.422 0.256 1.00 31.55 H new ATOM 0 HB3 LEU A 18 -8.824 -10.171 1.834 1.00 31.55 H new ATOM 0 HG LEU A 18 -8.447 -7.631 1.612 1.00 54.01 H new ATOM 0 HD11 LEU A 18 -6.768 -7.613 3.415 1.00 24.04 H new ATOM 0 HD12 LEU A 18 -8.025 -8.844 3.678 1.00 24.04 H new ATOM 0 HD13 LEU A 18 -6.416 -9.327 3.093 1.00 24.04 H new ATOM 0 HD21 LEU A 18 -6.106 -6.954 1.143 1.00 52.43 H new ATOM 0 HD22 LEU A 18 -5.727 -8.630 0.678 1.00 52.43 H new ATOM 0 HD23 LEU A 18 -6.889 -7.681 -0.280 1.00 52.43 H new ATOM 308 N SER A 19 -5.037 -11.085 1.427 1.00 53.33 N ATOM 309 CA SER A 19 -4.038 -11.705 2.314 1.00 1.01 C ATOM 310 C SER A 19 -3.240 -10.667 3.116 1.00 54.21 C ATOM 311 O SER A 19 -3.423 -9.463 2.954 1.00 41.15 O ATOM 312 CB SER A 19 -3.064 -12.548 1.483 1.00 0.42 C ATOM 313 OG SER A 19 -3.748 -13.512 0.697 1.00 53.13 O ATOM 0 H SER A 19 -4.637 -10.482 0.708 1.00 53.33 H new ATOM 0 HA SER A 19 -4.582 -12.329 3.023 1.00 1.01 H new ATOM 0 HB2 SER A 19 -2.480 -11.896 0.833 1.00 0.42 H new ATOM 0 HB3 SER A 19 -2.360 -13.051 2.146 1.00 0.42 H new ATOM 0 HG SER A 19 -3.337 -14.392 0.828 1.00 53.13 H new ATOM 319 N LEU A 20 -2.355 -11.150 3.990 1.00 43.12 N ATOM 320 CA LEU A 20 -1.455 -10.284 4.770 1.00 0.12 C ATOM 321 C LEU A 20 -0.186 -9.965 3.946 1.00 75.24 C ATOM 322 O LEU A 20 0.373 -10.846 3.292 1.00 52.32 O ATOM 323 CB LEU A 20 -1.099 -10.991 6.100 1.00 70.22 C ATOM 324 CG LEU A 20 -0.512 -10.112 7.232 1.00 61.04 C ATOM 325 CD1 LEU A 20 0.934 -9.711 6.951 1.00 32.32 C ATOM 326 CD2 LEU A 20 -1.378 -8.873 7.463 1.00 75.12 C ATOM 0 H LEU A 20 -2.239 -12.145 4.180 1.00 43.12 H new ATOM 0 HA LEU A 20 -1.950 -9.340 4.999 1.00 0.12 H new ATOM 0 HB2 LEU A 20 -2.001 -11.473 6.479 1.00 70.22 H new ATOM 0 HB3 LEU A 20 -0.383 -11.783 5.881 1.00 70.22 H new ATOM 0 HG LEU A 20 -0.514 -10.713 8.141 1.00 61.04 H new ATOM 0 HD11 LEU A 20 1.307 -9.095 7.770 1.00 32.32 H new ATOM 0 HD12 LEU A 20 1.549 -10.606 6.861 1.00 32.32 H new ATOM 0 HD13 LEU A 20 0.980 -9.144 6.021 1.00 32.32 H new ATOM 0 HD21 LEU A 20 -0.946 -8.271 8.262 1.00 75.12 H new ATOM 0 HD22 LEU A 20 -1.421 -8.283 6.547 1.00 75.12 H new ATOM 0 HD23 LEU A 20 -2.385 -9.180 7.744 1.00 75.12 H new ATOM 338 N LEU A 21 0.264 -8.707 3.974 1.00 31.21 N ATOM 339 CA LEU A 21 1.395 -8.269 3.135 1.00 52.23 C ATOM 340 C LEU A 21 2.762 -8.688 3.711 1.00 44.53 C ATOM 341 O LEU A 21 3.052 -8.472 4.888 1.00 72.54 O ATOM 342 CB LEU A 21 1.362 -6.743 2.936 1.00 64.22 C ATOM 343 CG LEU A 21 2.518 -6.156 2.100 1.00 51.31 C ATOM 344 CD1 LEU A 21 2.548 -6.763 0.701 1.00 21.24 C ATOM 345 CD2 LEU A 21 2.407 -4.634 2.014 1.00 20.53 C ATOM 0 H LEU A 21 -0.131 -7.974 4.563 1.00 31.21 H new ATOM 0 HA LEU A 21 1.279 -8.769 2.173 1.00 52.23 H new ATOM 0 HB2 LEU A 21 0.419 -6.477 2.457 1.00 64.22 H new ATOM 0 HB3 LEU A 21 1.367 -6.266 3.916 1.00 64.22 H new ATOM 0 HG LEU A 21 3.452 -6.409 2.602 1.00 51.31 H new ATOM 0 HD11 LEU A 21 3.373 -6.331 0.134 1.00 21.24 H new ATOM 0 HD12 LEU A 21 2.685 -7.842 0.775 1.00 21.24 H new ATOM 0 HD13 LEU A 21 1.608 -6.551 0.192 1.00 21.24 H new ATOM 0 HD21 LEU A 21 3.233 -4.242 1.420 1.00 20.53 H new ATOM 0 HD22 LEU A 21 1.461 -4.364 1.544 1.00 20.53 H new ATOM 0 HD23 LEU A 21 2.448 -4.209 3.017 1.00 20.53 H new ATOM 357 N GLU A 22 3.596 -9.276 2.853 1.00 33.15 N ATOM 358 CA GLU A 22 4.978 -9.631 3.204 1.00 70.54 C ATOM 359 C GLU A 22 5.777 -8.389 3.648 1.00 73.12 C ATOM 360 O GLU A 22 5.670 -7.324 3.036 1.00 45.22 O ATOM 361 CB GLU A 22 5.654 -10.288 1.990 1.00 41.14 C ATOM 362 CG GLU A 22 7.130 -10.625 2.188 1.00 33.24 C ATOM 363 CD GLU A 22 7.373 -11.630 3.303 1.00 14.13 C ATOM 364 OE1 GLU A 22 7.225 -12.845 3.061 1.00 65.23 O ATOM 365 OE2 GLU A 22 7.730 -11.206 4.421 1.00 70.40 O ATOM 0 H GLU A 22 3.337 -9.520 1.897 1.00 33.15 H new ATOM 0 HA GLU A 22 4.958 -10.330 4.040 1.00 70.54 H new ATOM 0 HB2 GLU A 22 5.116 -11.203 1.743 1.00 41.14 H new ATOM 0 HB3 GLU A 22 5.559 -9.621 1.133 1.00 41.14 H new ATOM 0 HG2 GLU A 22 7.533 -11.022 1.256 1.00 33.24 H new ATOM 0 HG3 GLU A 22 7.678 -9.709 2.408 1.00 33.24 H new ATOM 372 N SER A 23 6.594 -8.536 4.694 1.00 43.54 N ATOM 373 CA SER A 23 7.354 -7.400 5.252 1.00 20.21 C ATOM 374 C SER A 23 8.299 -6.774 4.212 1.00 73.32 C ATOM 375 O SER A 23 8.522 -5.562 4.223 1.00 4.31 O ATOM 376 CB SER A 23 8.142 -7.818 6.503 1.00 2.03 C ATOM 377 OG SER A 23 9.073 -8.851 6.219 1.00 12.31 O ATOM 0 H SER A 23 6.750 -9.423 5.174 1.00 43.54 H new ATOM 0 HA SER A 23 6.624 -6.643 5.538 1.00 20.21 H new ATOM 0 HB2 SER A 23 8.670 -6.954 6.906 1.00 2.03 H new ATOM 0 HB3 SER A 23 7.449 -8.155 7.273 1.00 2.03 H new ATOM 0 HG SER A 23 8.607 -9.607 5.805 1.00 12.31 H new ATOM 383 N LYS A 24 8.842 -7.597 3.310 1.00 14.20 N ATOM 384 CA LYS A 24 9.650 -7.091 2.183 1.00 13.23 C ATOM 385 C LYS A 24 8.868 -6.058 1.357 1.00 20.11 C ATOM 386 O LYS A 24 9.421 -5.043 0.927 1.00 72.12 O ATOM 387 CB LYS A 24 10.114 -8.253 1.280 1.00 71.20 C ATOM 388 CG LYS A 24 11.510 -8.805 1.600 1.00 3.43 C ATOM 389 CD LYS A 24 12.631 -8.008 0.916 1.00 50.23 C ATOM 390 CE LYS A 24 12.832 -6.620 1.522 1.00 24.32 C ATOM 391 NZ LYS A 24 13.331 -6.685 2.921 1.00 32.50 N ATOM 0 H LYS A 24 8.741 -8.612 3.333 1.00 14.20 H new ATOM 0 HA LYS A 24 10.528 -6.599 2.601 1.00 13.23 H new ATOM 0 HB2 LYS A 24 9.392 -9.065 1.359 1.00 71.20 H new ATOM 0 HB3 LYS A 24 10.102 -7.915 0.244 1.00 71.20 H new ATOM 0 HG2 LYS A 24 11.664 -8.789 2.679 1.00 3.43 H new ATOM 0 HG3 LYS A 24 11.566 -9.847 1.285 1.00 3.43 H new ATOM 0 HD2 LYS A 24 13.563 -8.568 0.988 1.00 50.23 H new ATOM 0 HD3 LYS A 24 12.401 -7.906 -0.145 1.00 50.23 H new ATOM 0 HE2 LYS A 24 13.539 -6.058 0.912 1.00 24.32 H new ATOM 0 HE3 LYS A 24 11.888 -6.075 1.500 1.00 24.32 H new ATOM 0 HZ1 LYS A 24 12.676 -6.175 3.547 1.00 32.50 H new ATOM 0 HZ2 LYS A 24 13.394 -7.679 3.221 1.00 32.50 H new ATOM 0 HZ3 LYS A 24 14.273 -6.247 2.974 1.00 32.50 H new ATOM 405 N GLY A 25 7.588 -6.330 1.126 1.00 33.13 N ATOM 406 CA GLY A 25 6.726 -5.362 0.461 1.00 2.23 C ATOM 407 C GLY A 25 6.331 -4.213 1.386 1.00 53.33 C ATOM 408 O GLY A 25 6.331 -3.050 0.987 1.00 70.24 O ATOM 0 H GLY A 25 7.129 -7.203 1.386 1.00 33.13 H new ATOM 0 HA2 GLY A 25 7.238 -4.962 -0.414 1.00 2.23 H new ATOM 0 HA3 GLY A 25 5.827 -5.864 0.103 1.00 2.23 H new ATOM 412 N LEU A 26 6.036 -4.549 2.642 1.00 40.01 N ATOM 413 CA LEU A 26 5.565 -3.577 3.638 1.00 22.34 C ATOM 414 C LEU A 26 6.505 -2.365 3.745 1.00 13.41 C ATOM 415 O LEU A 26 6.064 -1.210 3.686 1.00 72.31 O ATOM 416 CB LEU A 26 5.444 -4.268 5.004 1.00 1.42 C ATOM 417 CG LEU A 26 4.932 -3.391 6.156 1.00 25.13 C ATOM 418 CD1 LEU A 26 3.514 -2.902 5.876 1.00 61.44 C ATOM 419 CD2 LEU A 26 4.995 -4.157 7.476 1.00 63.44 C ATOM 0 H LEU A 26 6.116 -5.501 3.001 1.00 40.01 H new ATOM 0 HA LEU A 26 4.591 -3.208 3.317 1.00 22.34 H new ATOM 0 HB2 LEU A 26 4.776 -5.123 4.899 1.00 1.42 H new ATOM 0 HB3 LEU A 26 6.423 -4.660 5.279 1.00 1.42 H new ATOM 0 HG LEU A 26 5.577 -2.516 6.237 1.00 25.13 H new ATOM 0 HD11 LEU A 26 3.172 -2.283 6.705 1.00 61.44 H new ATOM 0 HD12 LEU A 26 3.506 -2.315 4.958 1.00 61.44 H new ATOM 0 HD13 LEU A 26 2.849 -3.759 5.765 1.00 61.44 H new ATOM 0 HD21 LEU A 26 4.629 -3.522 8.283 1.00 63.44 H new ATOM 0 HD22 LEU A 26 4.375 -5.051 7.408 1.00 63.44 H new ATOM 0 HD23 LEU A 26 6.026 -4.445 7.681 1.00 63.44 H new ATOM 431 N GLU A 27 7.802 -2.627 3.894 1.00 41.22 N ATOM 432 CA GLU A 27 8.790 -1.547 3.964 1.00 24.53 C ATOM 433 C GLU A 27 8.863 -0.771 2.638 1.00 45.15 C ATOM 434 O GLU A 27 9.122 0.431 2.631 1.00 75.15 O ATOM 435 CB GLU A 27 10.175 -2.094 4.338 1.00 2.40 C ATOM 436 CG GLU A 27 10.758 -3.070 3.323 1.00 50.05 C ATOM 437 CD GLU A 27 12.153 -3.537 3.705 1.00 4.32 C ATOM 438 OE1 GLU A 27 13.124 -2.793 3.455 1.00 60.34 O ATOM 439 OE2 GLU A 27 12.290 -4.648 4.259 1.00 63.40 O ATOM 0 H GLU A 27 8.193 -3.566 3.968 1.00 41.22 H new ATOM 0 HA GLU A 27 8.468 -0.858 4.744 1.00 24.53 H new ATOM 0 HB2 GLU A 27 10.863 -1.257 4.457 1.00 2.40 H new ATOM 0 HB3 GLU A 27 10.107 -2.591 5.306 1.00 2.40 H new ATOM 0 HG2 GLU A 27 10.100 -3.934 3.234 1.00 50.05 H new ATOM 0 HG3 GLU A 27 10.793 -2.594 2.343 1.00 50.05 H new ATOM 446 N ALA A 28 8.610 -1.457 1.519 1.00 61.03 N ATOM 447 CA ALA A 28 8.621 -0.814 0.201 1.00 62.12 C ATOM 448 C ALA A 28 7.472 0.198 0.075 1.00 21.32 C ATOM 449 O ALA A 28 7.632 1.269 -0.512 1.00 43.32 O ATOM 450 CB ALA A 28 8.534 -1.863 -0.904 1.00 0.43 C ATOM 0 H ALA A 28 8.396 -2.454 1.499 1.00 61.03 H new ATOM 0 HA ALA A 28 9.561 -0.273 0.094 1.00 62.12 H new ATOM 0 HB1 ALA A 28 8.543 -1.369 -1.876 1.00 0.43 H new ATOM 0 HB2 ALA A 28 9.386 -2.539 -0.832 1.00 0.43 H new ATOM 0 HB3 ALA A 28 7.610 -2.431 -0.794 1.00 0.43 H new ATOM 456 N LEU A 29 6.310 -0.153 0.631 1.00 25.02 N ATOM 457 CA LEU A 29 5.171 0.774 0.697 1.00 74.33 C ATOM 458 C LEU A 29 5.528 2.028 1.511 1.00 33.23 C ATOM 459 O LEU A 29 5.316 3.152 1.057 1.00 53.11 O ATOM 460 CB LEU A 29 3.931 0.083 1.301 1.00 61.00 C ATOM 461 CG LEU A 29 3.072 -0.744 0.320 1.00 55.32 C ATOM 462 CD1 LEU A 29 2.527 0.140 -0.797 1.00 65.25 C ATOM 463 CD2 LEU A 29 3.863 -1.917 -0.256 1.00 74.44 C ATOM 0 H LEU A 29 6.130 -1.069 1.042 1.00 25.02 H new ATOM 0 HA LEU A 29 4.935 1.080 -0.322 1.00 74.33 H new ATOM 0 HB2 LEU A 29 4.261 -0.574 2.106 1.00 61.00 H new ATOM 0 HB3 LEU A 29 3.298 0.847 1.752 1.00 61.00 H new ATOM 0 HG LEU A 29 2.229 -1.152 0.878 1.00 55.32 H new ATOM 0 HD11 LEU A 29 1.925 -0.463 -1.477 1.00 65.25 H new ATOM 0 HD12 LEU A 29 1.910 0.929 -0.368 1.00 65.25 H new ATOM 0 HD13 LEU A 29 3.357 0.586 -1.346 1.00 65.25 H new ATOM 0 HD21 LEU A 29 3.231 -2.480 -0.943 1.00 74.44 H new ATOM 0 HD22 LEU A 29 4.735 -1.540 -0.791 1.00 74.44 H new ATOM 0 HD23 LEU A 29 4.189 -2.569 0.554 1.00 74.44 H new ATOM 475 N ASN A 30 6.085 1.827 2.707 1.00 35.22 N ATOM 476 CA ASN A 30 6.494 2.947 3.571 1.00 62.35 C ATOM 477 C ASN A 30 7.525 3.858 2.880 1.00 70.44 C ATOM 478 O ASN A 30 7.404 5.085 2.920 1.00 75.45 O ATOM 479 CB ASN A 30 7.053 2.426 4.903 1.00 75.40 C ATOM 480 CG ASN A 30 5.962 1.899 5.820 1.00 51.42 C ATOM 481 OD1 ASN A 30 5.377 2.645 6.598 1.00 11.40 O ATOM 482 ND2 ASN A 30 5.676 0.615 5.745 1.00 2.04 N ATOM 0 H ASN A 30 6.265 0.904 3.102 1.00 35.22 H new ATOM 0 HA ASN A 30 5.604 3.545 3.769 1.00 62.35 H new ATOM 0 HB2 ASN A 30 7.774 1.632 4.706 1.00 75.40 H new ATOM 0 HB3 ASN A 30 7.592 3.228 5.407 1.00 75.40 H new ATOM 0 HD21 ASN A 30 4.952 0.218 6.343 1.00 2.04 H new ATOM 0 HD22 ASN A 30 6.179 0.018 5.088 1.00 2.04 H new ATOM 489 N LYS A 31 8.530 3.256 2.243 1.00 1.33 N ATOM 490 CA LYS A 31 9.533 4.014 1.482 1.00 2.51 C ATOM 491 C LYS A 31 8.871 4.874 0.390 1.00 64.11 C ATOM 492 O LYS A 31 9.238 6.036 0.180 1.00 22.11 O ATOM 493 CB LYS A 31 10.546 3.055 0.846 1.00 24.35 C ATOM 494 CG LYS A 31 11.393 2.287 1.855 1.00 31.40 C ATOM 495 CD LYS A 31 12.268 1.242 1.173 1.00 44.24 C ATOM 496 CE LYS A 31 13.119 0.470 2.174 1.00 35.05 C ATOM 497 NZ LYS A 31 14.066 1.354 2.906 1.00 15.33 N ATOM 0 H LYS A 31 8.674 2.246 2.237 1.00 1.33 H new ATOM 0 HA LYS A 31 10.049 4.679 2.174 1.00 2.51 H new ATOM 0 HB2 LYS A 31 10.011 2.342 0.219 1.00 24.35 H new ATOM 0 HB3 LYS A 31 11.206 3.623 0.191 1.00 24.35 H new ATOM 0 HG2 LYS A 31 12.022 2.984 2.408 1.00 31.40 H new ATOM 0 HG3 LYS A 31 10.742 1.800 2.581 1.00 31.40 H new ATOM 0 HD2 LYS A 31 11.637 0.546 0.620 1.00 44.24 H new ATOM 0 HD3 LYS A 31 12.917 1.731 0.446 1.00 44.24 H new ATOM 0 HE2 LYS A 31 12.469 -0.034 2.889 1.00 35.05 H new ATOM 0 HE3 LYS A 31 13.679 -0.305 1.651 1.00 35.05 H new ATOM 0 HZ1 LYS A 31 14.747 0.772 3.434 1.00 15.33 H new ATOM 0 HZ2 LYS A 31 14.577 1.954 2.227 1.00 15.33 H new ATOM 0 HZ3 LYS A 31 13.537 1.956 3.569 1.00 15.33 H new ATOM 511 N ALA A 32 7.894 4.290 -0.299 1.00 42.20 N ATOM 512 CA ALA A 32 7.145 4.987 -1.347 1.00 21.22 C ATOM 513 C ALA A 32 6.270 6.115 -0.770 1.00 52.32 C ATOM 514 O ALA A 32 6.076 7.156 -1.408 1.00 42.55 O ATOM 515 CB ALA A 32 6.293 3.987 -2.117 1.00 65.45 C ATOM 0 H ALA A 32 7.598 3.325 -0.150 1.00 42.20 H new ATOM 0 HA ALA A 32 7.861 5.451 -2.026 1.00 21.22 H new ATOM 0 HB1 ALA A 32 5.736 4.507 -2.896 1.00 65.45 H new ATOM 0 HB2 ALA A 32 6.937 3.234 -2.572 1.00 65.45 H new ATOM 0 HB3 ALA A 32 5.595 3.502 -1.435 1.00 65.45 H new ATOM 521 N ILE A 33 5.737 5.895 0.434 1.00 72.50 N ATOM 522 CA ILE A 33 4.955 6.917 1.143 1.00 63.05 C ATOM 523 C ILE A 33 5.823 8.145 1.467 1.00 53.31 C ATOM 524 O ILE A 33 5.425 9.287 1.222 1.00 63.25 O ATOM 525 CB ILE A 33 4.339 6.342 2.450 1.00 0.03 C ATOM 526 CG1 ILE A 33 3.292 5.263 2.113 1.00 45.11 C ATOM 527 CG2 ILE A 33 3.718 7.451 3.300 1.00 52.14 C ATOM 528 CD1 ILE A 33 2.702 4.570 3.324 1.00 22.21 C ATOM 0 H ILE A 33 5.832 5.016 0.942 1.00 72.50 H new ATOM 0 HA ILE A 33 4.144 7.226 0.484 1.00 63.05 H new ATOM 0 HB ILE A 33 5.138 5.885 3.033 1.00 0.03 H new ATOM 0 HG12 ILE A 33 2.485 5.722 1.542 1.00 45.11 H new ATOM 0 HG13 ILE A 33 3.753 4.514 1.469 1.00 45.11 H new ATOM 0 HG21 ILE A 33 3.295 7.020 4.207 1.00 52.14 H new ATOM 0 HG22 ILE A 33 4.485 8.178 3.567 1.00 52.14 H new ATOM 0 HG23 ILE A 33 2.930 7.947 2.732 1.00 52.14 H new ATOM 0 HD11 ILE A 33 1.975 3.826 2.999 1.00 22.21 H new ATOM 0 HD12 ILE A 33 3.497 4.079 3.886 1.00 22.21 H new ATOM 0 HD13 ILE A 33 2.209 5.305 3.960 1.00 22.21 H new ATOM 540 N VAL A 34 7.022 7.897 1.996 1.00 51.12 N ATOM 541 CA VAL A 34 7.993 8.969 2.254 1.00 53.32 C ATOM 542 C VAL A 34 8.399 9.662 0.942 1.00 0.45 C ATOM 543 O VAL A 34 8.630 10.872 0.903 1.00 10.30 O ATOM 544 CB VAL A 34 9.262 8.423 2.963 1.00 22.15 C ATOM 545 CG1 VAL A 34 10.269 9.543 3.229 1.00 10.13 C ATOM 546 CG2 VAL A 34 8.891 7.709 4.263 1.00 43.22 C ATOM 0 H VAL A 34 7.347 6.965 2.255 1.00 51.12 H new ATOM 0 HA VAL A 34 7.511 9.693 2.911 1.00 53.32 H new ATOM 0 HB VAL A 34 9.733 7.700 2.297 1.00 22.15 H new ATOM 0 HG11 VAL A 34 11.148 9.132 3.726 1.00 10.13 H new ATOM 0 HG12 VAL A 34 10.566 9.997 2.284 1.00 10.13 H new ATOM 0 HG13 VAL A 34 9.812 10.299 3.867 1.00 10.13 H new ATOM 0 HG21 VAL A 34 9.795 7.334 4.743 1.00 43.22 H new ATOM 0 HG22 VAL A 34 8.388 8.408 4.931 1.00 43.22 H new ATOM 0 HG23 VAL A 34 8.225 6.875 4.043 1.00 43.22 H new ATOM 556 N SER A 35 8.468 8.877 -0.135 1.00 60.53 N ATOM 557 CA SER A 35 8.811 9.400 -1.469 1.00 42.12 C ATOM 558 C SER A 35 7.599 10.059 -2.158 1.00 51.11 C ATOM 559 O SER A 35 7.712 10.582 -3.269 1.00 43.51 O ATOM 560 CB SER A 35 9.358 8.275 -2.360 1.00 0.31 C ATOM 561 OG SER A 35 9.803 8.779 -3.610 1.00 41.12 O ATOM 0 H SER A 35 8.291 7.873 -0.114 1.00 60.53 H new ATOM 0 HA SER A 35 9.577 10.163 -1.329 1.00 42.12 H new ATOM 0 HB2 SER A 35 10.183 7.774 -1.853 1.00 0.31 H new ATOM 0 HB3 SER A 35 8.582 7.527 -2.522 1.00 0.31 H new ATOM 0 HG SER A 35 9.291 9.582 -3.840 1.00 41.12 H new ATOM 567 N GLY A 36 6.439 10.013 -1.500 1.00 33.24 N ATOM 568 CA GLY A 36 5.234 10.661 -2.021 1.00 14.44 C ATOM 569 C GLY A 36 4.812 10.173 -3.407 1.00 35.00 C ATOM 570 O GLY A 36 4.437 10.971 -4.267 1.00 3.24 O ATOM 0 H GLY A 36 6.309 9.535 -0.608 1.00 33.24 H new ATOM 0 HA2 GLY A 36 4.414 10.493 -1.323 1.00 14.44 H new ATOM 0 HA3 GLY A 36 5.402 11.737 -2.062 1.00 14.44 H new ATOM 574 N THR A 37 4.878 8.862 -3.632 1.00 2.35 N ATOM 575 CA THR A 37 4.476 8.277 -4.928 1.00 54.40 C ATOM 576 C THR A 37 3.287 7.315 -4.775 1.00 13.30 C ATOM 577 O THR A 37 2.870 6.666 -5.736 1.00 43.32 O ATOM 578 CB THR A 37 5.655 7.530 -5.603 1.00 22.43 C ATOM 579 OG1 THR A 37 5.271 7.058 -6.907 1.00 65.43 O ATOM 580 CG2 THR A 37 6.125 6.350 -4.758 1.00 43.53 C ATOM 0 H THR A 37 5.202 8.182 -2.945 1.00 2.35 H new ATOM 0 HA THR A 37 4.173 9.110 -5.562 1.00 54.40 H new ATOM 0 HB THR A 37 6.478 8.239 -5.698 1.00 22.43 H new ATOM 0 HG1 THR A 37 4.335 6.767 -6.887 1.00 65.43 H new ATOM 0 HG21 THR A 37 6.952 5.849 -5.261 1.00 43.53 H new ATOM 0 HG22 THR A 37 6.457 6.709 -3.784 1.00 43.53 H new ATOM 0 HG23 THR A 37 5.302 5.647 -4.625 1.00 43.53 H new ATOM 588 N VAL A 38 2.739 7.238 -3.567 1.00 34.10 N ATOM 589 CA VAL A 38 1.622 6.332 -3.275 1.00 61.15 C ATOM 590 C VAL A 38 0.261 6.997 -3.529 1.00 31.33 C ATOM 591 O VAL A 38 -0.179 7.861 -2.766 1.00 4.30 O ATOM 592 CB VAL A 38 1.674 5.833 -1.810 1.00 40.24 C ATOM 593 CG1 VAL A 38 0.488 4.920 -1.499 1.00 60.31 C ATOM 594 CG2 VAL A 38 2.992 5.117 -1.536 1.00 22.03 C ATOM 0 H VAL A 38 3.048 7.792 -2.768 1.00 34.10 H new ATOM 0 HA VAL A 38 1.728 5.485 -3.952 1.00 61.15 H new ATOM 0 HB VAL A 38 1.610 6.701 -1.154 1.00 40.24 H new ATOM 0 HG11 VAL A 38 0.549 4.584 -0.464 1.00 60.31 H new ATOM 0 HG12 VAL A 38 -0.442 5.468 -1.648 1.00 60.31 H new ATOM 0 HG13 VAL A 38 0.510 4.056 -2.163 1.00 60.31 H new ATOM 0 HG21 VAL A 38 3.011 4.773 -0.502 1.00 22.03 H new ATOM 0 HG22 VAL A 38 3.087 4.261 -2.205 1.00 22.03 H new ATOM 0 HG23 VAL A 38 3.821 5.804 -1.705 1.00 22.03 H new ATOM 604 N GLN A 39 -0.401 6.589 -4.609 1.00 4.23 N ATOM 605 CA GLN A 39 -1.756 7.057 -4.914 1.00 12.03 C ATOM 606 C GLN A 39 -2.790 5.943 -4.693 1.00 11.04 C ATOM 607 O GLN A 39 -2.627 4.822 -5.182 1.00 71.32 O ATOM 608 CB GLN A 39 -1.847 7.561 -6.361 1.00 74.35 C ATOM 609 CG GLN A 39 -0.969 8.771 -6.651 1.00 54.34 C ATOM 610 CD GLN A 39 -1.189 9.342 -8.041 1.00 61.30 C ATOM 611 OE1 GLN A 39 -0.522 8.964 -9.001 1.00 64.42 O ATOM 612 NE2 GLN A 39 -2.133 10.253 -8.162 1.00 43.21 N ATOM 0 H GLN A 39 -0.022 5.933 -5.292 1.00 4.23 H new ATOM 0 HA GLN A 39 -1.977 7.880 -4.235 1.00 12.03 H new ATOM 0 HB2 GLN A 39 -1.567 6.752 -7.035 1.00 74.35 H new ATOM 0 HB3 GLN A 39 -2.884 7.816 -6.582 1.00 74.35 H new ATOM 0 HG2 GLN A 39 -1.169 9.545 -5.910 1.00 54.34 H new ATOM 0 HG3 GLN A 39 0.078 8.488 -6.541 1.00 54.34 H new ATOM 0 HE21 GLN A 39 -2.668 10.544 -7.344 1.00 43.21 H new ATOM 0 HE22 GLN A 39 -2.328 10.667 -9.074 1.00 43.21 H new ATOM 621 N ARG A 40 -3.848 6.259 -3.947 1.00 2.13 N ATOM 622 CA ARG A 40 -4.955 5.318 -3.730 1.00 72.42 C ATOM 623 C ARG A 40 -5.921 5.300 -4.930 1.00 34.24 C ATOM 624 O ARG A 40 -5.644 5.900 -5.968 1.00 11.12 O ATOM 625 CB ARG A 40 -5.723 5.675 -2.444 1.00 62.20 C ATOM 626 CG ARG A 40 -5.001 5.299 -1.151 1.00 34.35 C ATOM 627 CD ARG A 40 -3.839 6.231 -0.821 1.00 60.53 C ATOM 628 NE ARG A 40 -4.282 7.588 -0.496 1.00 31.41 N ATOM 629 CZ ARG A 40 -4.655 7.977 0.699 1.00 51.03 C ATOM 630 NH1 ARG A 40 -4.743 7.134 1.679 1.00 33.33 N ATOM 631 NH2 ARG A 40 -4.960 9.217 0.907 1.00 72.53 N ATOM 0 H ARG A 40 -3.965 7.159 -3.481 1.00 2.13 H new ATOM 0 HA ARG A 40 -4.524 4.322 -3.624 1.00 72.42 H new ATOM 0 HB2 ARG A 40 -5.918 6.747 -2.438 1.00 62.20 H new ATOM 0 HB3 ARG A 40 -6.691 5.175 -2.463 1.00 62.20 H new ATOM 0 HG2 ARG A 40 -5.714 5.312 -0.327 1.00 34.35 H new ATOM 0 HG3 ARG A 40 -4.628 4.278 -1.234 1.00 34.35 H new ATOM 0 HD2 ARG A 40 -3.279 5.824 0.021 1.00 60.53 H new ATOM 0 HD3 ARG A 40 -3.156 6.269 -1.670 1.00 60.53 H new ATOM 0 HE ARG A 40 -4.302 8.276 -1.249 1.00 31.41 H new ATOM 0 HH11 ARG A 40 -4.520 6.150 1.527 1.00 33.33 H new ATOM 0 HH12 ARG A 40 -5.035 7.454 2.602 1.00 33.33 H new ATOM 0 HH21 ARG A 40 -4.910 9.890 0.142 1.00 72.53 H new ATOM 0 HH22 ARG A 40 -5.250 9.522 1.836 1.00 72.53 H new ATOM 645 N ALA A 41 -7.058 4.613 -4.775 1.00 53.52 N ATOM 646 CA ALA A 41 -8.070 4.510 -5.841 1.00 73.42 C ATOM 647 C ALA A 41 -8.489 5.884 -6.400 1.00 3.41 C ATOM 648 O ALA A 41 -8.581 6.067 -7.614 1.00 2.55 O ATOM 649 CB ALA A 41 -9.292 3.751 -5.335 1.00 71.20 C ATOM 0 H ALA A 41 -7.304 4.117 -3.919 1.00 53.52 H new ATOM 0 HA ALA A 41 -7.612 3.960 -6.663 1.00 73.42 H new ATOM 0 HB1 ALA A 41 -10.033 3.681 -6.132 1.00 71.20 H new ATOM 0 HB2 ALA A 41 -8.996 2.748 -5.027 1.00 71.20 H new ATOM 0 HB3 ALA A 41 -9.722 4.280 -4.485 1.00 71.20 H new ATOM 655 N ASP A 42 -8.741 6.850 -5.511 1.00 10.34 N ATOM 656 CA ASP A 42 -9.120 8.213 -5.929 1.00 52.32 C ATOM 657 C ASP A 42 -7.905 9.021 -6.427 1.00 33.53 C ATOM 658 O ASP A 42 -8.027 10.199 -6.775 1.00 54.25 O ATOM 659 CB ASP A 42 -9.781 8.959 -4.764 1.00 51.13 C ATOM 660 CG ASP A 42 -11.014 8.248 -4.239 1.00 32.53 C ATOM 661 OD1 ASP A 42 -10.876 7.392 -3.339 1.00 12.14 O ATOM 662 OD2 ASP A 42 -12.127 8.544 -4.724 1.00 3.30 O ATOM 0 H ASP A 42 -8.691 6.719 -4.501 1.00 10.34 H new ATOM 0 HA ASP A 42 -9.824 8.114 -6.755 1.00 52.32 H new ATOM 0 HB2 ASP A 42 -9.060 9.073 -3.955 1.00 51.13 H new ATOM 0 HB3 ASP A 42 -10.056 9.962 -5.089 1.00 51.13 H new ATOM 667 N GLY A 43 -6.735 8.390 -6.450 1.00 40.43 N ATOM 668 CA GLY A 43 -5.508 9.083 -6.831 1.00 10.21 C ATOM 669 C GLY A 43 -4.903 9.887 -5.681 1.00 71.14 C ATOM 670 O GLY A 43 -3.862 10.528 -5.839 1.00 51.14 O ATOM 0 H GLY A 43 -6.610 7.406 -6.211 1.00 40.43 H new ATOM 0 HA2 GLY A 43 -4.778 8.354 -7.182 1.00 10.21 H new ATOM 0 HA3 GLY A 43 -5.718 9.752 -7.666 1.00 10.21 H new ATOM 674 N SER A 44 -5.557 9.839 -4.521 1.00 45.02 N ATOM 675 CA SER A 44 -5.108 10.574 -3.330 1.00 34.11 C ATOM 676 C SER A 44 -3.717 10.125 -2.868 1.00 15.40 C ATOM 677 O SER A 44 -3.429 8.927 -2.802 1.00 22.32 O ATOM 678 CB SER A 44 -6.109 10.392 -2.179 1.00 40.35 C ATOM 679 OG SER A 44 -5.609 10.941 -0.969 1.00 34.01 O ATOM 0 H SER A 44 -6.407 9.295 -4.376 1.00 45.02 H new ATOM 0 HA SER A 44 -5.051 11.627 -3.608 1.00 34.11 H new ATOM 0 HB2 SER A 44 -7.053 10.872 -2.436 1.00 40.35 H new ATOM 0 HB3 SER A 44 -6.318 9.331 -2.040 1.00 40.35 H new ATOM 0 HG SER A 44 -6.323 10.957 -0.298 1.00 34.01 H new ATOM 685 N ILE A 45 -2.869 11.093 -2.535 1.00 42.35 N ATOM 686 CA ILE A 45 -1.507 10.812 -2.069 1.00 51.40 C ATOM 687 C ILE A 45 -1.499 10.397 -0.590 1.00 21.42 C ATOM 688 O ILE A 45 -1.949 11.148 0.276 1.00 74.42 O ATOM 689 CB ILE A 45 -0.589 12.051 -2.241 1.00 63.42 C ATOM 690 CG1 ILE A 45 -0.531 12.488 -3.715 1.00 63.30 C ATOM 691 CG2 ILE A 45 0.819 11.765 -1.710 1.00 15.31 C ATOM 692 CD1 ILE A 45 0.110 11.467 -4.633 1.00 73.04 C ATOM 0 H ILE A 45 -3.099 12.086 -2.578 1.00 42.35 H new ATOM 0 HA ILE A 45 -1.129 9.991 -2.678 1.00 51.40 H new ATOM 0 HB ILE A 45 -1.014 12.868 -1.658 1.00 63.42 H new ATOM 0 HG12 ILE A 45 -1.544 12.691 -4.064 1.00 63.30 H new ATOM 0 HG13 ILE A 45 0.024 13.424 -3.785 1.00 63.30 H new ATOM 0 HG21 ILE A 45 1.444 12.648 -1.842 1.00 15.31 H new ATOM 0 HG22 ILE A 45 0.764 11.514 -0.651 1.00 15.31 H new ATOM 0 HG23 ILE A 45 1.252 10.929 -2.259 1.00 15.31 H new ATOM 0 HD11 ILE A 45 0.114 11.848 -5.654 1.00 73.04 H new ATOM 0 HD12 ILE A 45 1.135 11.281 -4.311 1.00 73.04 H new ATOM 0 HD13 ILE A 45 -0.457 10.537 -4.595 1.00 73.04 H new ATOM 704 N GLN A 46 -0.994 9.199 -0.306 1.00 13.24 N ATOM 705 CA GLN A 46 -0.832 8.741 1.077 1.00 1.52 C ATOM 706 C GLN A 46 0.498 9.244 1.658 1.00 31.31 C ATOM 707 O GLN A 46 1.571 8.768 1.289 1.00 22.11 O ATOM 708 CB GLN A 46 -0.904 7.207 1.159 1.00 20.34 C ATOM 709 CG GLN A 46 -0.724 6.653 2.572 1.00 52.23 C ATOM 710 CD GLN A 46 -1.759 7.182 3.557 1.00 64.24 C ATOM 711 OE1 GLN A 46 -1.566 8.220 4.183 1.00 71.23 O ATOM 712 NE2 GLN A 46 -2.864 6.478 3.694 1.00 34.15 N ATOM 0 H GLN A 46 -0.690 8.527 -1.011 1.00 13.24 H new ATOM 0 HA GLN A 46 -1.650 9.154 1.668 1.00 1.52 H new ATOM 0 HB2 GLN A 46 -1.867 6.877 0.770 1.00 20.34 H new ATOM 0 HB3 GLN A 46 -0.136 6.782 0.512 1.00 20.34 H new ATOM 0 HG2 GLN A 46 -0.784 5.565 2.540 1.00 52.23 H new ATOM 0 HG3 GLN A 46 0.273 6.906 2.931 1.00 52.23 H new ATOM 0 HE21 GLN A 46 -2.992 5.620 3.158 1.00 34.15 H new ATOM 0 HE22 GLN A 46 -3.592 6.791 4.336 1.00 34.15 H new ATOM 721 N ASN A 47 0.415 10.221 2.555 1.00 2.42 N ATOM 722 CA ASN A 47 1.607 10.818 3.172 1.00 23.01 C ATOM 723 C ASN A 47 1.890 10.208 4.554 1.00 73.54 C ATOM 724 O ASN A 47 2.957 10.421 5.139 1.00 45.33 O ATOM 725 CB ASN A 47 1.418 12.332 3.298 1.00 24.22 C ATOM 726 CG ASN A 47 1.174 12.995 1.956 1.00 62.21 C ATOM 727 OD1 ASN A 47 2.105 13.407 1.273 1.00 24.40 O ATOM 728 ND2 ASN A 47 -0.079 13.109 1.565 1.00 54.14 N ATOM 0 H ASN A 47 -0.467 10.621 2.876 1.00 2.42 H new ATOM 0 HA ASN A 47 2.463 10.606 2.532 1.00 23.01 H new ATOM 0 HB2 ASN A 47 0.577 12.537 3.960 1.00 24.22 H new ATOM 0 HB3 ASN A 47 2.303 12.769 3.761 1.00 24.22 H new ATOM 0 HD21 ASN A 47 -0.296 13.550 0.671 1.00 54.14 H new ATOM 0 HD22 ASN A 47 -0.832 12.756 2.156 1.00 54.14 H new ATOM 735 N GLN A 48 0.929 9.445 5.064 1.00 61.41 N ATOM 736 CA GLN A 48 1.043 8.812 6.380 1.00 5.50 C ATOM 737 C GLN A 48 1.486 7.344 6.258 1.00 15.21 C ATOM 738 O GLN A 48 0.778 6.514 5.687 1.00 74.41 O ATOM 739 CB GLN A 48 -0.303 8.907 7.115 1.00 11.30 C ATOM 740 CG GLN A 48 -0.775 10.341 7.327 1.00 20.32 C ATOM 741 CD GLN A 48 -2.211 10.425 7.816 1.00 12.05 C ATOM 742 OE1 GLN A 48 -2.479 10.419 9.014 1.00 34.25 O ATOM 743 NE2 GLN A 48 -3.148 10.497 6.890 1.00 1.50 N ATOM 0 H GLN A 48 0.052 9.247 4.582 1.00 61.41 H new ATOM 0 HA GLN A 48 1.806 9.340 6.952 1.00 5.50 H new ATOM 0 HB2 GLN A 48 -1.058 8.364 6.547 1.00 11.30 H new ATOM 0 HB3 GLN A 48 -0.216 8.414 8.083 1.00 11.30 H new ATOM 0 HG2 GLN A 48 -0.121 10.830 8.049 1.00 20.32 H new ATOM 0 HG3 GLN A 48 -0.683 10.891 6.390 1.00 20.32 H new ATOM 0 HE21 GLN A 48 -2.891 10.500 5.903 1.00 1.50 H new ATOM 0 HE22 GLN A 48 -4.130 10.550 7.161 1.00 1.50 H new ATOM 752 N SER A 49 2.666 7.039 6.793 1.00 61.45 N ATOM 753 CA SER A 49 3.232 5.681 6.738 1.00 73.13 C ATOM 754 C SER A 49 2.364 4.657 7.491 1.00 42.40 C ATOM 755 O SER A 49 1.566 5.017 8.360 1.00 63.12 O ATOM 756 CB SER A 49 4.659 5.673 7.307 1.00 71.42 C ATOM 757 OG SER A 49 4.690 6.146 8.646 1.00 44.32 O ATOM 0 H SER A 49 3.258 7.716 7.275 1.00 61.45 H new ATOM 0 HA SER A 49 3.255 5.386 5.689 1.00 73.13 H new ATOM 0 HB2 SER A 49 5.061 4.661 7.269 1.00 71.42 H new ATOM 0 HB3 SER A 49 5.303 6.295 6.686 1.00 71.42 H new ATOM 0 HG SER A 49 5.612 6.126 8.979 1.00 44.32 H new ATOM 763 N LEU A 50 2.532 3.376 7.159 1.00 51.04 N ATOM 764 CA LEU A 50 1.727 2.305 7.761 1.00 71.23 C ATOM 765 C LEU A 50 2.608 1.184 8.339 1.00 3.41 C ATOM 766 O LEU A 50 3.624 0.805 7.753 1.00 63.32 O ATOM 767 CB LEU A 50 0.706 1.761 6.737 1.00 32.41 C ATOM 768 CG LEU A 50 1.230 1.508 5.304 1.00 22.35 C ATOM 769 CD1 LEU A 50 2.095 0.254 5.225 1.00 53.11 C ATOM 770 CD2 LEU A 50 0.069 1.424 4.315 1.00 23.41 C ATOM 0 H LEU A 50 3.218 3.052 6.477 1.00 51.04 H new ATOM 0 HA LEU A 50 1.174 2.728 8.599 1.00 71.23 H new ATOM 0 HB2 LEU A 50 0.303 0.825 7.123 1.00 32.41 H new ATOM 0 HB3 LEU A 50 -0.124 2.465 6.677 1.00 32.41 H new ATOM 0 HG LEU A 50 1.861 2.355 5.034 1.00 22.35 H new ATOM 0 HD11 LEU A 50 2.441 0.115 4.201 1.00 53.11 H new ATOM 0 HD12 LEU A 50 2.954 0.362 5.887 1.00 53.11 H new ATOM 0 HD13 LEU A 50 1.508 -0.612 5.531 1.00 53.11 H new ATOM 0 HD21 LEU A 50 0.457 1.246 3.312 1.00 23.41 H new ATOM 0 HD22 LEU A 50 -0.592 0.605 4.599 1.00 23.41 H new ATOM 0 HD23 LEU A 50 -0.488 2.361 4.327 1.00 23.41 H new ATOM 782 N HIS A 51 2.216 0.664 9.503 1.00 11.11 N ATOM 783 CA HIS A 51 3.018 -0.352 10.201 1.00 12.44 C ATOM 784 C HIS A 51 2.705 -1.781 9.726 1.00 52.53 C ATOM 785 O HIS A 51 3.531 -2.679 9.869 1.00 35.12 O ATOM 786 CB HIS A 51 2.812 -0.233 11.715 1.00 62.13 C ATOM 787 CG HIS A 51 3.210 1.105 12.264 1.00 62.34 C ATOM 788 ND1 HIS A 51 4.130 1.929 11.651 1.00 33.32 N ATOM 789 CD2 HIS A 51 2.810 1.768 13.377 1.00 45.12 C ATOM 790 CE1 HIS A 51 4.279 3.027 12.357 1.00 12.02 C ATOM 791 NE2 HIS A 51 3.492 2.960 13.410 1.00 2.40 N ATOM 0 H HIS A 51 1.355 0.925 9.983 1.00 11.11 H new ATOM 0 HA HIS A 51 4.064 -0.162 9.959 1.00 12.44 H new ATOM 0 HB2 HIS A 51 1.763 -0.416 11.948 1.00 62.13 H new ATOM 0 HB3 HIS A 51 3.390 -1.010 12.216 1.00 62.13 H new ATOM 0 HD2 HIS A 51 2.089 1.423 14.103 1.00 45.12 H new ATOM 0 HE1 HIS A 51 4.937 3.848 12.114 1.00 12.02 H new ATOM 0 HE2 HIS A 51 3.403 3.675 14.132 1.00 2.40 H new ATOM 800 N GLU A 52 1.511 -1.987 9.171 1.00 2.45 N ATOM 801 CA GLU A 52 1.131 -3.293 8.618 1.00 52.32 C ATOM 802 C GLU A 52 0.110 -3.118 7.478 1.00 54.12 C ATOM 803 O GLU A 52 -0.623 -2.127 7.437 1.00 4.14 O ATOM 804 CB GLU A 52 0.575 -4.199 9.729 1.00 14.10 C ATOM 805 CG GLU A 52 0.335 -5.647 9.298 1.00 43.04 C ATOM 806 CD GLU A 52 0.089 -6.581 10.476 1.00 42.51 C ATOM 807 OE1 GLU A 52 -1.071 -6.712 10.918 1.00 62.15 O ATOM 808 OE2 GLU A 52 1.061 -7.185 10.976 1.00 72.51 O ATOM 0 H GLU A 52 0.790 -1.270 9.091 1.00 2.45 H new ATOM 0 HA GLU A 52 2.017 -3.772 8.202 1.00 52.32 H new ATOM 0 HB2 GLU A 52 1.270 -4.192 10.569 1.00 14.10 H new ATOM 0 HB3 GLU A 52 -0.364 -3.779 10.089 1.00 14.10 H new ATOM 0 HG2 GLU A 52 -0.522 -5.684 8.626 1.00 43.04 H new ATOM 0 HG3 GLU A 52 1.198 -6.001 8.734 1.00 43.04 H new ATOM 815 N ALA A 53 0.070 -4.073 6.548 1.00 44.31 N ATOM 816 CA ALA A 53 -0.776 -3.949 5.354 1.00 0.41 C ATOM 817 C ALA A 53 -1.290 -5.308 4.847 1.00 52.10 C ATOM 818 O ALA A 53 -0.926 -6.365 5.365 1.00 1.12 O ATOM 819 CB ALA A 53 -0.007 -3.223 4.254 1.00 32.24 C ATOM 0 H ALA A 53 0.609 -4.937 6.595 1.00 44.31 H new ATOM 0 HA ALA A 53 -1.656 -3.369 5.634 1.00 0.41 H new ATOM 0 HB1 ALA A 53 -0.637 -3.132 3.369 1.00 32.24 H new ATOM 0 HB2 ALA A 53 0.275 -2.229 4.602 1.00 32.24 H new ATOM 0 HB3 ALA A 53 0.891 -3.788 4.004 1.00 32.24 H new ATOM 825 N LEU A 54 -2.131 -5.255 3.817 1.00 3.43 N ATOM 826 CA LEU A 54 -2.783 -6.441 3.250 1.00 52.32 C ATOM 827 C LEU A 54 -2.540 -6.518 1.729 1.00 70.14 C ATOM 828 O LEU A 54 -2.580 -5.502 1.042 1.00 10.45 O ATOM 829 CB LEU A 54 -4.289 -6.369 3.552 1.00 64.12 C ATOM 830 CG LEU A 54 -4.645 -6.331 5.053 1.00 62.24 C ATOM 831 CD1 LEU A 54 -6.082 -5.859 5.274 1.00 24.34 C ATOM 832 CD2 LEU A 54 -4.424 -7.702 5.694 1.00 71.12 C ATOM 0 H LEU A 54 -2.383 -4.385 3.347 1.00 3.43 H new ATOM 0 HA LEU A 54 -2.362 -7.340 3.700 1.00 52.32 H new ATOM 0 HB2 LEU A 54 -4.700 -5.480 3.073 1.00 64.12 H new ATOM 0 HB3 LEU A 54 -4.778 -7.231 3.098 1.00 64.12 H new ATOM 0 HG LEU A 54 -3.982 -5.612 5.533 1.00 62.24 H new ATOM 0 HD11 LEU A 54 -6.300 -5.844 6.342 1.00 24.34 H new ATOM 0 HD12 LEU A 54 -6.202 -4.856 4.865 1.00 24.34 H new ATOM 0 HD13 LEU A 54 -6.770 -6.540 4.773 1.00 24.34 H new ATOM 0 HD21 LEU A 54 -4.681 -7.654 6.752 1.00 71.12 H new ATOM 0 HD22 LEU A 54 -5.056 -8.441 5.200 1.00 71.12 H new ATOM 0 HD23 LEU A 54 -3.378 -7.989 5.587 1.00 71.12 H new ATOM 844 N ILE A 55 -2.301 -7.717 1.202 1.00 65.45 N ATOM 845 CA ILE A 55 -1.933 -7.877 -0.215 1.00 74.53 C ATOM 846 C ILE A 55 -2.876 -8.837 -0.969 1.00 42.44 C ATOM 847 O ILE A 55 -3.313 -9.856 -0.432 1.00 54.32 O ATOM 848 CB ILE A 55 -0.473 -8.393 -0.346 1.00 23.13 C ATOM 849 CG1 ILE A 55 -0.012 -8.389 -1.817 1.00 11.14 C ATOM 850 CG2 ILE A 55 -0.329 -9.792 0.254 1.00 20.25 C ATOM 851 CD1 ILE A 55 0.011 -7.014 -2.454 1.00 51.22 C ATOM 0 H ILE A 55 -2.353 -8.591 1.726 1.00 65.45 H new ATOM 0 HA ILE A 55 -2.024 -6.890 -0.669 1.00 74.53 H new ATOM 0 HB ILE A 55 0.168 -7.712 0.214 1.00 23.13 H new ATOM 0 HG12 ILE A 55 0.987 -8.821 -1.875 1.00 11.14 H new ATOM 0 HG13 ILE A 55 -0.673 -9.035 -2.395 1.00 11.14 H new ATOM 0 HG21 ILE A 55 0.702 -10.129 0.149 1.00 20.25 H new ATOM 0 HG22 ILE A 55 -0.596 -9.764 1.311 1.00 20.25 H new ATOM 0 HG23 ILE A 55 -0.991 -10.482 -0.269 1.00 20.25 H new ATOM 0 HD11 ILE A 55 0.346 -7.098 -3.488 1.00 51.22 H new ATOM 0 HD12 ILE A 55 -0.991 -6.585 -2.431 1.00 51.22 H new ATOM 0 HD13 ILE A 55 0.694 -6.369 -1.902 1.00 51.22 H new ATOM 863 N THR A 56 -3.189 -8.492 -2.217 1.00 1.01 N ATOM 864 CA THR A 56 -3.924 -9.393 -3.121 1.00 43.02 C ATOM 865 C THR A 56 -3.024 -10.539 -3.609 1.00 75.41 C ATOM 866 O THR A 56 -1.803 -10.395 -3.663 1.00 44.44 O ATOM 867 CB THR A 56 -4.480 -8.630 -4.350 1.00 65.43 C ATOM 868 OG1 THR A 56 -3.427 -7.885 -4.989 1.00 41.42 O ATOM 869 CG2 THR A 56 -5.606 -7.681 -3.944 1.00 1.40 C ATOM 0 H THR A 56 -2.946 -7.592 -2.632 1.00 1.01 H new ATOM 0 HA THR A 56 -4.757 -9.804 -2.551 1.00 43.02 H new ATOM 0 HB THR A 56 -4.881 -9.364 -5.049 1.00 65.43 H new ATOM 0 HG1 THR A 56 -2.567 -8.122 -4.584 1.00 41.42 H new ATOM 0 HG21 THR A 56 -5.977 -7.159 -4.826 1.00 1.40 H new ATOM 0 HG22 THR A 56 -6.417 -8.251 -3.492 1.00 1.40 H new ATOM 0 HG23 THR A 56 -5.228 -6.955 -3.225 1.00 1.40 H new ATOM 877 N ARG A 57 -3.626 -11.673 -3.976 1.00 72.34 N ATOM 878 CA ARG A 57 -2.855 -12.870 -4.363 1.00 21.42 C ATOM 879 C ARG A 57 -1.912 -12.623 -5.556 1.00 71.41 C ATOM 880 O ARG A 57 -0.809 -13.169 -5.597 1.00 41.13 O ATOM 881 CB ARG A 57 -3.803 -14.035 -4.685 1.00 52.32 C ATOM 882 CG ARG A 57 -4.547 -14.606 -3.473 1.00 30.31 C ATOM 883 CD ARG A 57 -3.609 -15.301 -2.479 1.00 11.14 C ATOM 884 NE ARG A 57 -2.794 -14.358 -1.714 1.00 43.55 N ATOM 885 CZ ARG A 57 -1.545 -14.553 -1.378 1.00 4.34 C ATOM 886 NH1 ARG A 57 -0.931 -15.648 -1.702 1.00 35.22 N ATOM 887 NH2 ARG A 57 -0.912 -13.651 -0.705 1.00 62.13 N ATOM 0 H ARG A 57 -4.638 -11.793 -4.015 1.00 72.34 H new ATOM 0 HA ARG A 57 -2.229 -13.123 -3.507 1.00 21.42 H new ATOM 0 HB2 ARG A 57 -4.535 -13.698 -5.419 1.00 52.32 H new ATOM 0 HB3 ARG A 57 -3.229 -14.835 -5.152 1.00 52.32 H new ATOM 0 HG2 ARG A 57 -5.077 -13.801 -2.964 1.00 30.31 H new ATOM 0 HG3 ARG A 57 -5.299 -15.317 -3.815 1.00 30.31 H new ATOM 0 HD2 ARG A 57 -4.200 -15.905 -1.791 1.00 11.14 H new ATOM 0 HD3 ARG A 57 -2.954 -15.984 -3.021 1.00 11.14 H new ATOM 0 HE ARG A 57 -3.231 -13.484 -1.421 1.00 43.55 H new ATOM 0 HH11 ARG A 57 -1.422 -16.372 -2.226 1.00 35.22 H new ATOM 0 HH12 ARG A 57 0.043 -15.785 -1.433 1.00 35.22 H new ATOM 0 HH21 ARG A 57 -1.386 -12.789 -0.436 1.00 62.13 H new ATOM 0 HH22 ARG A 57 0.062 -13.801 -0.442 1.00 62.13 H new ATOM 901 N ASP A 58 -2.333 -11.798 -6.514 1.00 14.20 N ATOM 902 CA ASP A 58 -1.494 -11.490 -7.682 1.00 5.01 C ATOM 903 C ASP A 58 -0.624 -10.242 -7.429 1.00 43.15 C ATOM 904 O ASP A 58 0.135 -9.815 -8.299 1.00 31.01 O ATOM 905 CB ASP A 58 -2.376 -11.292 -8.921 1.00 52.33 C ATOM 906 CG ASP A 58 -1.581 -11.281 -10.219 1.00 72.10 C ATOM 907 OD1 ASP A 58 -1.310 -12.366 -10.765 1.00 51.20 O ATOM 908 OD2 ASP A 58 -1.242 -10.185 -10.708 1.00 10.12 O ATOM 0 H ASP A 58 -3.241 -11.332 -6.510 1.00 14.20 H new ATOM 0 HA ASP A 58 -0.823 -12.331 -7.856 1.00 5.01 H new ATOM 0 HB2 ASP A 58 -3.119 -12.088 -8.963 1.00 52.33 H new ATOM 0 HB3 ASP A 58 -2.921 -10.353 -8.827 1.00 52.33 H new ATOM 913 N ARG A 59 -0.731 -9.676 -6.221 1.00 62.45 N ATOM 914 CA ARG A 59 0.069 -8.511 -5.816 1.00 71.23 C ATOM 915 C ARG A 59 -0.320 -7.242 -6.597 1.00 21.12 C ATOM 916 O ARG A 59 0.502 -6.346 -6.793 1.00 51.45 O ATOM 917 CB ARG A 59 1.568 -8.815 -5.991 1.00 22.12 C ATOM 918 CG ARG A 59 2.042 -10.038 -5.204 1.00 24.42 C ATOM 919 CD ARG A 59 3.458 -10.449 -5.588 1.00 51.03 C ATOM 920 NE ARG A 59 3.558 -10.824 -6.998 1.00 32.11 N ATOM 921 CZ ARG A 59 4.650 -11.253 -7.573 1.00 40.43 C ATOM 922 NH1 ARG A 59 5.748 -11.388 -6.898 1.00 32.33 N ATOM 923 NH2 ARG A 59 4.640 -11.552 -8.829 1.00 51.42 N ATOM 0 H ARG A 59 -1.370 -10.009 -5.499 1.00 62.45 H new ATOM 0 HA ARG A 59 -0.139 -8.316 -4.764 1.00 71.23 H new ATOM 0 HB2 ARG A 59 1.777 -8.971 -7.049 1.00 22.12 H new ATOM 0 HB3 ARG A 59 2.145 -7.945 -5.677 1.00 22.12 H new ATOM 0 HG2 ARG A 59 2.005 -9.819 -4.137 1.00 24.42 H new ATOM 0 HG3 ARG A 59 1.362 -10.871 -5.383 1.00 24.42 H new ATOM 0 HD2 ARG A 59 4.142 -9.626 -5.383 1.00 51.03 H new ATOM 0 HD3 ARG A 59 3.773 -11.288 -4.967 1.00 51.03 H new ATOM 0 HE ARG A 59 2.718 -10.745 -7.572 1.00 32.11 H new ATOM 0 HH11 ARG A 59 5.767 -11.158 -5.904 1.00 32.33 H new ATOM 0 HH12 ARG A 59 6.593 -11.724 -7.360 1.00 32.33 H new ATOM 0 HH21 ARG A 59 3.781 -11.453 -9.370 1.00 51.42 H new ATOM 0 HH22 ARG A 59 5.491 -11.887 -9.280 1.00 51.42 H new ATOM 937 N LYS A 60 -1.586 -7.154 -7.011 1.00 33.40 N ATOM 938 CA LYS A 60 -2.081 -5.986 -7.755 1.00 14.43 C ATOM 939 C LYS A 60 -2.455 -4.834 -6.804 1.00 41.14 C ATOM 940 O LYS A 60 -1.943 -3.717 -6.921 1.00 22.11 O ATOM 941 CB LYS A 60 -3.307 -6.360 -8.607 1.00 21.14 C ATOM 942 CG LYS A 60 -3.070 -7.505 -9.587 1.00 60.23 C ATOM 943 CD LYS A 60 -4.283 -7.725 -10.492 1.00 52.11 C ATOM 944 CE LYS A 60 -4.114 -8.940 -11.402 1.00 61.13 C ATOM 945 NZ LYS A 60 -2.899 -8.847 -12.255 1.00 72.41 N ATOM 0 H LYS A 60 -2.289 -7.875 -6.846 1.00 33.40 H new ATOM 0 HA LYS A 60 -1.275 -5.654 -8.409 1.00 14.43 H new ATOM 0 HB2 LYS A 60 -4.127 -6.631 -7.942 1.00 21.14 H new ATOM 0 HB3 LYS A 60 -3.628 -5.481 -9.166 1.00 21.14 H new ATOM 0 HG2 LYS A 60 -2.193 -7.288 -10.197 1.00 60.23 H new ATOM 0 HG3 LYS A 60 -2.855 -8.420 -9.035 1.00 60.23 H new ATOM 0 HD2 LYS A 60 -5.173 -7.855 -9.877 1.00 52.11 H new ATOM 0 HD3 LYS A 60 -4.444 -6.836 -11.102 1.00 52.11 H new ATOM 0 HE2 LYS A 60 -4.058 -9.842 -10.792 1.00 61.13 H new ATOM 0 HE3 LYS A 60 -4.994 -9.039 -12.038 1.00 61.13 H new ATOM 0 HZ1 LYS A 60 -3.024 -9.437 -13.102 1.00 72.41 H new ATOM 0 HZ2 LYS A 60 -2.750 -7.858 -12.540 1.00 72.41 H new ATOM 0 HZ3 LYS A 60 -2.072 -9.181 -11.719 1.00 72.41 H new ATOM 959 N GLN A 61 -3.354 -5.117 -5.861 1.00 64.44 N ATOM 960 CA GLN A 61 -3.836 -4.102 -4.913 1.00 64.15 C ATOM 961 C GLN A 61 -3.362 -4.380 -3.479 1.00 41.55 C ATOM 962 O GLN A 61 -3.125 -5.532 -3.096 1.00 4.22 O ATOM 963 CB GLN A 61 -5.372 -4.034 -4.941 1.00 61.04 C ATOM 964 CG GLN A 61 -5.953 -3.545 -6.264 1.00 32.30 C ATOM 965 CD GLN A 61 -7.474 -3.500 -6.258 1.00 60.24 C ATOM 966 OE1 GLN A 61 -8.134 -4.296 -5.599 1.00 32.44 O ATOM 967 NE2 GLN A 61 -8.046 -2.566 -6.991 1.00 75.13 N ATOM 0 H GLN A 61 -3.766 -6.041 -5.730 1.00 64.44 H new ATOM 0 HA GLN A 61 -3.417 -3.146 -5.226 1.00 64.15 H new ATOM 0 HB2 GLN A 61 -5.772 -5.025 -4.726 1.00 61.04 H new ATOM 0 HB3 GLN A 61 -5.710 -3.373 -4.143 1.00 61.04 H new ATOM 0 HG2 GLN A 61 -5.565 -2.550 -6.480 1.00 32.30 H new ATOM 0 HG3 GLN A 61 -5.616 -4.200 -7.068 1.00 32.30 H new ATOM 0 HE21 GLN A 61 -7.472 -1.917 -7.529 1.00 75.13 H new ATOM 0 HE22 GLN A 61 -9.063 -2.492 -7.020 1.00 75.13 H new ATOM 976 N VAL A 62 -3.232 -3.307 -2.701 1.00 62.14 N ATOM 977 CA VAL A 62 -2.813 -3.385 -1.298 1.00 11.42 C ATOM 978 C VAL A 62 -3.789 -2.608 -0.398 1.00 31.20 C ATOM 979 O VAL A 62 -4.347 -1.594 -0.808 1.00 75.41 O ATOM 980 CB VAL A 62 -1.383 -2.803 -1.107 1.00 34.03 C ATOM 981 CG1 VAL A 62 -0.926 -2.916 0.348 1.00 21.20 C ATOM 982 CG2 VAL A 62 -0.384 -3.485 -2.041 1.00 51.40 C ATOM 0 H VAL A 62 -3.414 -2.357 -3.024 1.00 62.14 H new ATOM 0 HA VAL A 62 -2.812 -4.438 -1.017 1.00 11.42 H new ATOM 0 HB VAL A 62 -1.422 -1.745 -1.364 1.00 34.03 H new ATOM 0 HG11 VAL A 62 0.077 -2.501 0.448 1.00 21.20 H new ATOM 0 HG12 VAL A 62 -1.613 -2.364 0.989 1.00 21.20 H new ATOM 0 HG13 VAL A 62 -0.916 -3.965 0.646 1.00 21.20 H new ATOM 0 HG21 VAL A 62 0.607 -3.059 -1.887 1.00 51.40 H new ATOM 0 HG22 VAL A 62 -0.357 -4.554 -1.827 1.00 51.40 H new ATOM 0 HG23 VAL A 62 -0.689 -3.329 -3.076 1.00 51.40 H new ATOM 992 N PHE A 63 -4.001 -3.095 0.817 1.00 4.21 N ATOM 993 CA PHE A 63 -4.823 -2.386 1.810 1.00 14.30 C ATOM 994 C PHE A 63 -4.004 -2.096 3.078 1.00 52.20 C ATOM 995 O PHE A 63 -2.935 -2.668 3.280 1.00 41.15 O ATOM 996 CB PHE A 63 -6.078 -3.200 2.149 1.00 71.41 C ATOM 997 CG PHE A 63 -7.015 -3.372 0.976 1.00 23.20 C ATOM 998 CD1 PHE A 63 -6.852 -4.429 0.089 1.00 60.40 C ATOM 999 CD2 PHE A 63 -8.052 -2.475 0.757 1.00 30.24 C ATOM 1000 CE1 PHE A 63 -7.704 -4.585 -0.990 1.00 63.23 C ATOM 1001 CE2 PHE A 63 -8.905 -2.627 -0.320 1.00 72.11 C ATOM 1002 CZ PHE A 63 -8.730 -3.684 -1.194 1.00 43.53 C ATOM 0 H PHE A 63 -3.617 -3.980 1.147 1.00 4.21 H new ATOM 0 HA PHE A 63 -5.139 -1.435 1.382 1.00 14.30 H new ATOM 0 HB2 PHE A 63 -5.778 -4.183 2.512 1.00 71.41 H new ATOM 0 HB3 PHE A 63 -6.612 -2.709 2.963 1.00 71.41 H new ATOM 0 HD1 PHE A 63 -6.051 -5.137 0.244 1.00 60.40 H new ATOM 0 HD2 PHE A 63 -8.194 -1.648 1.437 1.00 30.24 H new ATOM 0 HE1 PHE A 63 -7.567 -5.411 -1.672 1.00 63.23 H new ATOM 0 HE2 PHE A 63 -9.707 -1.921 -0.479 1.00 72.11 H new ATOM 0 HZ PHE A 63 -9.396 -3.805 -2.036 1.00 43.53 H new ATOM 1012 N ARG A 64 -4.503 -1.210 3.932 1.00 14.32 N ATOM 1013 CA ARG A 64 -3.745 -0.765 5.109 1.00 11.20 C ATOM 1014 C ARG A 64 -4.279 -1.377 6.416 1.00 33.11 C ATOM 1015 O ARG A 64 -5.455 -1.717 6.526 1.00 61.33 O ATOM 1016 CB ARG A 64 -3.791 0.768 5.189 1.00 0.02 C ATOM 1017 CG ARG A 64 -3.091 1.353 6.413 1.00 42.34 C ATOM 1018 CD ARG A 64 -3.168 2.873 6.436 1.00 12.42 C ATOM 1019 NE ARG A 64 -2.572 3.439 7.645 1.00 65.30 N ATOM 1020 CZ ARG A 64 -2.625 4.702 7.964 1.00 15.42 C ATOM 1021 NH1 ARG A 64 -3.198 5.560 7.176 1.00 74.41 N ATOM 1022 NH2 ARG A 64 -2.108 5.111 9.072 1.00 74.42 N ATOM 0 H ARG A 64 -5.425 -0.784 3.838 1.00 14.32 H new ATOM 0 HA ARG A 64 -2.717 -1.108 4.994 1.00 11.20 H new ATOM 0 HB2 ARG A 64 -3.333 1.181 4.290 1.00 0.02 H new ATOM 0 HB3 ARG A 64 -4.833 1.089 5.192 1.00 0.02 H new ATOM 0 HG2 ARG A 64 -3.547 0.952 7.318 1.00 42.34 H new ATOM 0 HG3 ARG A 64 -2.046 1.042 6.417 1.00 42.34 H new ATOM 0 HD2 ARG A 64 -2.658 3.274 5.560 1.00 12.42 H new ATOM 0 HD3 ARG A 64 -4.211 3.183 6.368 1.00 12.42 H new ATOM 0 HE ARG A 64 -2.084 2.806 8.279 1.00 65.30 H new ATOM 0 HH11 ARG A 64 -3.612 5.248 6.298 1.00 74.41 H new ATOM 0 HH12 ARG A 64 -3.234 6.546 7.435 1.00 74.41 H new ATOM 0 HH21 ARG A 64 -1.657 4.446 9.700 1.00 74.42 H new ATOM 0 HH22 ARG A 64 -2.150 6.099 9.320 1.00 74.42 H new ATOM 1036 N ILE A 65 -3.395 -1.540 7.398 1.00 61.22 N ATOM 1037 CA ILE A 65 -3.798 -1.893 8.761 1.00 64.00 C ATOM 1038 C ILE A 65 -3.230 -0.872 9.757 1.00 72.14 C ATOM 1039 O ILE A 65 -2.013 -0.720 9.885 1.00 3.45 O ATOM 1040 CB ILE A 65 -3.322 -3.311 9.168 1.00 10.03 C ATOM 1041 CG1 ILE A 65 -3.877 -4.374 8.208 1.00 3.55 C ATOM 1042 CG2 ILE A 65 -3.740 -3.619 10.608 1.00 2.32 C ATOM 1043 CD1 ILE A 65 -3.456 -5.789 8.556 1.00 4.15 C ATOM 0 H ILE A 65 -2.388 -1.433 7.275 1.00 61.22 H new ATOM 0 HA ILE A 65 -4.888 -1.883 8.783 1.00 64.00 H new ATOM 0 HB ILE A 65 -2.234 -3.336 9.107 1.00 10.03 H new ATOM 0 HG12 ILE A 65 -4.966 -4.318 8.208 1.00 3.55 H new ATOM 0 HG13 ILE A 65 -3.546 -4.145 7.195 1.00 3.55 H new ATOM 0 HG21 ILE A 65 -3.399 -4.618 10.880 1.00 2.32 H new ATOM 0 HG22 ILE A 65 -3.293 -2.887 11.281 1.00 2.32 H new ATOM 0 HG23 ILE A 65 -4.826 -3.571 10.690 1.00 2.32 H new ATOM 0 HD11 ILE A 65 -3.886 -6.484 7.835 1.00 4.15 H new ATOM 0 HD12 ILE A 65 -2.369 -5.863 8.528 1.00 4.15 H new ATOM 0 HD13 ILE A 65 -3.811 -6.039 9.556 1.00 4.15 H new ATOM 1055 N GLU A 66 -4.114 -0.167 10.452 1.00 20.32 N ATOM 1056 CA GLU A 66 -3.700 0.848 11.424 1.00 62.11 C ATOM 1057 C GLU A 66 -4.385 0.624 12.781 1.00 74.43 C ATOM 1058 O GLU A 66 -5.603 0.448 12.852 1.00 42.13 O ATOM 1059 CB GLU A 66 -4.004 2.258 10.887 1.00 34.15 C ATOM 1060 CG GLU A 66 -5.471 2.494 10.542 1.00 43.34 C ATOM 1061 CD GLU A 66 -5.727 3.884 9.975 1.00 13.02 C ATOM 1062 OE1 GLU A 66 -5.646 4.864 10.749 1.00 52.43 O ATOM 1063 OE2 GLU A 66 -6.024 4.001 8.764 1.00 11.22 O ATOM 0 H GLU A 66 -5.124 -0.277 10.363 1.00 20.32 H new ATOM 0 HA GLU A 66 -2.624 0.758 11.574 1.00 62.11 H new ATOM 0 HB2 GLU A 66 -3.695 2.992 11.631 1.00 34.15 H new ATOM 0 HB3 GLU A 66 -3.400 2.433 9.996 1.00 34.15 H new ATOM 0 HG2 GLU A 66 -5.794 1.746 9.818 1.00 43.34 H new ATOM 0 HG3 GLU A 66 -6.077 2.354 11.437 1.00 43.34 H new ATOM 1070 N ASP A 67 -3.586 0.597 13.850 1.00 14.41 N ATOM 1071 CA ASP A 67 -4.100 0.412 15.212 1.00 0.34 C ATOM 1072 C ASP A 67 -4.826 -0.944 15.353 1.00 42.53 C ATOM 1073 O ASP A 67 -5.821 -1.057 16.066 1.00 30.24 O ATOM 1074 CB ASP A 67 -5.033 1.581 15.570 1.00 34.21 C ATOM 1075 CG ASP A 67 -5.135 1.815 17.064 1.00 11.14 C ATOM 1076 OD1 ASP A 67 -4.175 2.367 17.638 1.00 55.14 O ATOM 1077 OD2 ASP A 67 -6.165 1.452 17.671 1.00 21.34 O ATOM 0 H ASP A 67 -2.573 0.702 13.799 1.00 14.41 H new ATOM 0 HA ASP A 67 -3.262 0.402 15.909 1.00 0.34 H new ATOM 0 HB2 ASP A 67 -4.671 2.489 15.089 1.00 34.21 H new ATOM 0 HB3 ASP A 67 -6.027 1.382 15.169 1.00 34.21 H new ATOM 1082 N SER A 68 -4.296 -1.968 14.667 1.00 21.34 N ATOM 1083 CA SER A 68 -4.886 -3.325 14.652 1.00 50.24 C ATOM 1084 C SER A 68 -6.213 -3.376 13.873 1.00 73.42 C ATOM 1085 O SER A 68 -6.888 -4.406 13.849 1.00 23.23 O ATOM 1086 CB SER A 68 -5.097 -3.868 16.078 1.00 55.31 C ATOM 1087 OG SER A 68 -5.547 -5.219 16.059 1.00 32.42 O ATOM 0 H SER A 68 -3.448 -1.884 14.106 1.00 21.34 H new ATOM 0 HA SER A 68 -4.167 -3.962 14.137 1.00 50.24 H new ATOM 0 HB2 SER A 68 -4.163 -3.802 16.636 1.00 55.31 H new ATOM 0 HB3 SER A 68 -5.825 -3.248 16.601 1.00 55.31 H new ATOM 0 HG SER A 68 -6.159 -5.349 15.305 1.00 32.42 H new ATOM 1093 N ILE A 69 -6.586 -2.267 13.235 1.00 33.23 N ATOM 1094 CA ILE A 69 -7.813 -2.212 12.432 1.00 20.45 C ATOM 1095 C ILE A 69 -7.510 -2.455 10.940 1.00 72.42 C ATOM 1096 O ILE A 69 -6.802 -1.667 10.306 1.00 71.01 O ATOM 1097 CB ILE A 69 -8.532 -0.848 12.593 1.00 71.32 C ATOM 1098 CG1 ILE A 69 -8.868 -0.583 14.072 1.00 44.25 C ATOM 1099 CG2 ILE A 69 -9.794 -0.793 11.731 1.00 61.03 C ATOM 1100 CD1 ILE A 69 -9.796 -1.611 14.696 1.00 54.24 C ATOM 0 H ILE A 69 -6.059 -1.394 13.257 1.00 33.23 H new ATOM 0 HA ILE A 69 -8.469 -3.002 12.797 1.00 20.45 H new ATOM 0 HB ILE A 69 -7.856 -0.064 12.251 1.00 71.32 H new ATOM 0 HG12 ILE A 69 -7.940 -0.554 14.644 1.00 44.25 H new ATOM 0 HG13 ILE A 69 -9.326 0.402 14.157 1.00 44.25 H new ATOM 0 HG21 ILE A 69 -10.281 0.173 11.861 1.00 61.03 H new ATOM 0 HG22 ILE A 69 -9.525 -0.926 10.683 1.00 61.03 H new ATOM 0 HG23 ILE A 69 -10.476 -1.587 12.034 1.00 61.03 H new ATOM 0 HD11 ILE A 69 -9.981 -1.349 15.738 1.00 54.24 H new ATOM 0 HD12 ILE A 69 -10.741 -1.626 14.152 1.00 54.24 H new ATOM 0 HD13 ILE A 69 -9.333 -2.597 14.646 1.00 54.24 H new ATOM 1112 N PRO A 70 -8.032 -3.560 10.359 1.00 62.33 N ATOM 1113 CA PRO A 70 -7.833 -3.872 8.934 1.00 61.32 C ATOM 1114 C PRO A 70 -8.646 -2.950 8.009 1.00 75.41 C ATOM 1115 O PRO A 70 -9.858 -3.116 7.840 1.00 50.05 O ATOM 1116 CB PRO A 70 -8.315 -5.325 8.821 1.00 54.32 C ATOM 1117 CG PRO A 70 -9.317 -5.475 9.915 1.00 74.32 C ATOM 1118 CD PRO A 70 -8.845 -4.589 11.042 1.00 61.34 C ATOM 0 HA PRO A 70 -6.798 -3.729 8.624 1.00 61.32 H new ATOM 0 HB2 PRO A 70 -8.761 -5.520 7.846 1.00 54.32 H new ATOM 0 HB3 PRO A 70 -7.490 -6.027 8.940 1.00 54.32 H new ATOM 0 HG2 PRO A 70 -10.310 -5.179 9.577 1.00 74.32 H new ATOM 0 HG3 PRO A 70 -9.387 -6.513 10.239 1.00 74.32 H new ATOM 0 HD2 PRO A 70 -9.682 -4.146 11.581 1.00 61.34 H new ATOM 0 HD3 PRO A 70 -8.256 -5.147 11.771 1.00 61.34 H new ATOM 1126 N VAL A 71 -7.970 -1.975 7.413 1.00 13.11 N ATOM 1127 CA VAL A 71 -8.627 -0.985 6.556 1.00 23.33 C ATOM 1128 C VAL A 71 -8.851 -1.524 5.131 1.00 21.43 C ATOM 1129 O VAL A 71 -7.993 -1.393 4.257 1.00 12.54 O ATOM 1130 CB VAL A 71 -7.805 0.330 6.492 1.00 42.15 C ATOM 1131 CG1 VAL A 71 -8.552 1.415 5.714 1.00 54.41 C ATOM 1132 CG2 VAL A 71 -7.443 0.807 7.900 1.00 3.34 C ATOM 0 H VAL A 71 -6.963 -1.845 7.506 1.00 13.11 H new ATOM 0 HA VAL A 71 -9.600 -0.776 7.002 1.00 23.33 H new ATOM 0 HB VAL A 71 -6.879 0.124 5.955 1.00 42.15 H new ATOM 0 HG11 VAL A 71 -7.950 2.323 5.687 1.00 54.41 H new ATOM 0 HG12 VAL A 71 -8.736 1.071 4.696 1.00 54.41 H new ATOM 0 HG13 VAL A 71 -9.503 1.624 6.204 1.00 54.41 H new ATOM 0 HG21 VAL A 71 -6.867 1.730 7.835 1.00 3.34 H new ATOM 0 HG22 VAL A 71 -8.355 0.988 8.469 1.00 3.34 H new ATOM 0 HG23 VAL A 71 -6.849 0.043 8.401 1.00 3.34 H new ATOM 1142 N LEU A 72 -10.010 -2.148 4.921 1.00 31.25 N ATOM 1143 CA LEU A 72 -10.411 -2.661 3.600 1.00 64.22 C ATOM 1144 C LEU A 72 -11.112 -1.579 2.752 1.00 43.24 C ATOM 1145 O LEU A 72 -11.840 -1.887 1.803 1.00 22.35 O ATOM 1146 CB LEU A 72 -11.344 -3.870 3.788 1.00 32.11 C ATOM 1147 CG LEU A 72 -10.755 -5.026 4.615 1.00 12.31 C ATOM 1148 CD1 LEU A 72 -11.801 -6.112 4.862 1.00 73.32 C ATOM 1149 CD2 LEU A 72 -9.522 -5.607 3.924 1.00 74.12 C ATOM 0 H LEU A 72 -10.699 -2.314 5.655 1.00 31.25 H new ATOM 0 HA LEU A 72 -9.511 -2.962 3.064 1.00 64.22 H new ATOM 0 HB2 LEU A 72 -12.261 -3.530 4.269 1.00 32.11 H new ATOM 0 HB3 LEU A 72 -11.622 -4.251 2.805 1.00 32.11 H new ATOM 0 HG LEU A 72 -10.450 -4.629 5.583 1.00 12.31 H new ATOM 0 HD11 LEU A 72 -11.358 -6.917 5.449 1.00 73.32 H new ATOM 0 HD12 LEU A 72 -12.644 -5.688 5.407 1.00 73.32 H new ATOM 0 HD13 LEU A 72 -12.148 -6.507 3.907 1.00 73.32 H new ATOM 0 HD21 LEU A 72 -9.120 -6.423 4.524 1.00 74.12 H new ATOM 0 HD22 LEU A 72 -9.800 -5.983 2.939 1.00 74.12 H new ATOM 0 HD23 LEU A 72 -8.766 -4.830 3.815 1.00 74.12 H new ATOM 1161 N LEU A 73 -10.872 -0.312 3.087 1.00 52.41 N ATOM 1162 CA LEU A 73 -11.507 0.814 2.394 1.00 62.32 C ATOM 1163 C LEU A 73 -10.944 1.014 0.973 1.00 12.43 C ATOM 1164 O LEU A 73 -9.729 1.071 0.782 1.00 73.01 O ATOM 1165 CB LEU A 73 -11.312 2.106 3.201 1.00 53.40 C ATOM 1166 CG LEU A 73 -11.947 2.120 4.600 1.00 43.12 C ATOM 1167 CD1 LEU A 73 -11.697 3.462 5.283 1.00 4.55 C ATOM 1168 CD2 LEU A 73 -13.442 1.823 4.521 1.00 53.30 C ATOM 0 H LEU A 73 -10.239 -0.036 3.838 1.00 52.41 H new ATOM 0 HA LEU A 73 -12.568 0.581 2.307 1.00 62.32 H new ATOM 0 HB2 LEU A 73 -10.243 2.289 3.306 1.00 53.40 H new ATOM 0 HB3 LEU A 73 -11.723 2.937 2.627 1.00 53.40 H new ATOM 0 HG LEU A 73 -11.480 1.337 5.197 1.00 43.12 H new ATOM 0 HD11 LEU A 73 -12.153 3.457 6.273 1.00 4.55 H new ATOM 0 HD12 LEU A 73 -10.624 3.627 5.378 1.00 4.55 H new ATOM 0 HD13 LEU A 73 -12.136 4.261 4.686 1.00 4.55 H new ATOM 0 HD21 LEU A 73 -13.869 1.838 5.524 1.00 53.30 H new ATOM 0 HD22 LEU A 73 -13.931 2.579 3.906 1.00 53.30 H new ATOM 0 HD23 LEU A 73 -13.595 0.839 4.077 1.00 53.30 H new ATOM 1180 N PRO A 74 -11.822 1.143 -0.046 1.00 22.31 N ATOM 1181 CA PRO A 74 -11.392 1.416 -1.432 1.00 25.35 C ATOM 1182 C PRO A 74 -10.580 2.722 -1.556 1.00 24.53 C ATOM 1183 O PRO A 74 -9.642 2.811 -2.350 1.00 32.21 O ATOM 1184 CB PRO A 74 -12.719 1.515 -2.211 1.00 41.34 C ATOM 1185 CG PRO A 74 -13.768 1.743 -1.171 1.00 42.23 C ATOM 1186 CD PRO A 74 -13.290 1.023 0.059 1.00 12.53 C ATOM 0 HA PRO A 74 -10.724 0.641 -1.809 1.00 25.35 H new ATOM 0 HB2 PRO A 74 -12.693 2.334 -2.930 1.00 41.34 H new ATOM 0 HB3 PRO A 74 -12.914 0.602 -2.774 1.00 41.34 H new ATOM 0 HG2 PRO A 74 -13.899 2.807 -0.975 1.00 42.23 H new ATOM 0 HG3 PRO A 74 -14.734 1.358 -1.499 1.00 42.23 H new ATOM 0 HD2 PRO A 74 -13.670 1.483 0.971 1.00 12.53 H new ATOM 0 HD3 PRO A 74 -13.612 -0.018 0.070 1.00 12.53 H new ATOM 1194 N GLU A 75 -10.932 3.729 -0.755 1.00 62.42 N ATOM 1195 CA GLU A 75 -10.201 5.007 -0.757 1.00 60.04 C ATOM 1196 C GLU A 75 -8.781 4.864 -0.180 1.00 24.13 C ATOM 1197 O GLU A 75 -7.961 5.775 -0.308 1.00 42.41 O ATOM 1198 CB GLU A 75 -10.969 6.092 0.019 1.00 70.54 C ATOM 1199 CG GLU A 75 -11.358 5.705 1.445 1.00 51.33 C ATOM 1200 CD GLU A 75 -12.773 5.149 1.542 1.00 72.42 C ATOM 1201 OE1 GLU A 75 -12.977 3.963 1.227 1.00 4.23 O ATOM 1202 OE2 GLU A 75 -13.682 5.905 1.933 1.00 43.12 O ATOM 0 H GLU A 75 -11.712 3.690 -0.099 1.00 62.42 H new ATOM 0 HA GLU A 75 -10.114 5.310 -1.800 1.00 60.04 H new ATOM 0 HB2 GLU A 75 -10.358 6.994 0.056 1.00 70.54 H new ATOM 0 HB3 GLU A 75 -11.874 6.343 -0.534 1.00 70.54 H new ATOM 0 HG2 GLU A 75 -10.654 4.962 1.819 1.00 51.33 H new ATOM 0 HG3 GLU A 75 -11.271 6.579 2.090 1.00 51.33 H new ATOM 1209 N GLU A 76 -8.501 3.727 0.454 1.00 45.35 N ATOM 1210 CA GLU A 76 -7.161 3.426 0.977 1.00 75.44 C ATOM 1211 C GLU A 76 -6.500 2.295 0.158 1.00 41.12 C ATOM 1212 O GLU A 76 -5.406 1.827 0.478 1.00 54.13 O ATOM 1213 CB GLU A 76 -7.254 3.047 2.469 1.00 24.23 C ATOM 1214 CG GLU A 76 -5.905 2.860 3.168 1.00 62.04 C ATOM 1215 CD GLU A 76 -5.093 4.147 3.273 1.00 1.21 C ATOM 1216 OE1 GLU A 76 -4.430 4.530 2.281 1.00 22.04 O ATOM 1217 OE2 GLU A 76 -5.107 4.783 4.353 1.00 51.14 O ATOM 0 H GLU A 76 -9.187 2.991 0.621 1.00 45.35 H new ATOM 0 HA GLU A 76 -6.536 4.314 0.883 1.00 75.44 H new ATOM 0 HB2 GLU A 76 -7.814 3.822 2.992 1.00 24.23 H new ATOM 0 HB3 GLU A 76 -7.826 2.124 2.560 1.00 24.23 H new ATOM 0 HG2 GLU A 76 -6.075 2.464 4.169 1.00 62.04 H new ATOM 0 HG3 GLU A 76 -5.323 2.115 2.625 1.00 62.04 H new ATOM 1224 N ALA A 77 -7.165 1.871 -0.920 1.00 44.31 N ATOM 1225 CA ALA A 77 -6.636 0.817 -1.793 1.00 52.31 C ATOM 1226 C ALA A 77 -5.392 1.291 -2.565 1.00 75.52 C ATOM 1227 O ALA A 77 -5.481 2.134 -3.462 1.00 0.01 O ATOM 1228 CB ALA A 77 -7.715 0.333 -2.761 1.00 65.13 C ATOM 0 H ALA A 77 -8.070 2.241 -1.210 1.00 44.31 H new ATOM 0 HA ALA A 77 -6.333 -0.016 -1.159 1.00 52.31 H new ATOM 0 HB1 ALA A 77 -7.306 -0.449 -3.401 1.00 65.13 H new ATOM 0 HB2 ALA A 77 -8.558 -0.065 -2.196 1.00 65.13 H new ATOM 0 HB3 ALA A 77 -8.052 1.167 -3.377 1.00 65.13 H new ATOM 1234 N ILE A 78 -4.234 0.752 -2.195 1.00 12.41 N ATOM 1235 CA ILE A 78 -2.962 1.103 -2.832 1.00 12.10 C ATOM 1236 C ILE A 78 -2.727 0.279 -4.112 1.00 45.20 C ATOM 1237 O ILE A 78 -2.968 -0.930 -4.138 1.00 21.22 O ATOM 1238 CB ILE A 78 -1.770 0.862 -1.867 1.00 32.41 C ATOM 1239 CG1 ILE A 78 -2.065 1.441 -0.469 1.00 23.40 C ATOM 1240 CG2 ILE A 78 -0.483 1.458 -2.439 1.00 45.41 C ATOM 1241 CD1 ILE A 78 -2.313 2.933 -0.451 1.00 44.04 C ATOM 0 H ILE A 78 -4.147 0.062 -1.449 1.00 12.41 H new ATOM 0 HA ILE A 78 -3.021 2.161 -3.088 1.00 12.10 H new ATOM 0 HB ILE A 78 -1.632 -0.214 -1.763 1.00 32.41 H new ATOM 0 HG12 ILE A 78 -2.938 0.935 -0.056 1.00 23.40 H new ATOM 0 HG13 ILE A 78 -1.225 1.216 0.189 1.00 23.40 H new ATOM 0 HG21 ILE A 78 0.340 1.278 -1.747 1.00 45.41 H new ATOM 0 HG22 ILE A 78 -0.260 0.990 -3.398 1.00 45.41 H new ATOM 0 HG23 ILE A 78 -0.610 2.531 -2.580 1.00 45.41 H new ATOM 0 HD11 ILE A 78 -2.512 3.256 0.571 1.00 44.04 H new ATOM 0 HD12 ILE A 78 -1.433 3.453 -0.831 1.00 44.04 H new ATOM 0 HD13 ILE A 78 -3.172 3.167 -1.080 1.00 44.04 H new ATOM 1253 N ALA A 79 -2.249 0.936 -5.167 1.00 73.25 N ATOM 1254 CA ALA A 79 -1.905 0.255 -6.423 1.00 63.15 C ATOM 1255 C ALA A 79 -0.381 0.056 -6.549 1.00 3.14 C ATOM 1256 O ALA A 79 0.374 1.026 -6.665 1.00 24.21 O ATOM 1257 CB ALA A 79 -2.443 1.043 -7.614 1.00 24.54 C ATOM 0 H ALA A 79 -2.089 1.943 -5.181 1.00 73.25 H new ATOM 0 HA ALA A 79 -2.370 -0.731 -6.414 1.00 63.15 H new ATOM 0 HB1 ALA A 79 -2.182 0.528 -8.539 1.00 24.54 H new ATOM 0 HB2 ALA A 79 -3.527 1.123 -7.537 1.00 24.54 H new ATOM 0 HB3 ALA A 79 -2.005 2.041 -7.618 1.00 24.54 H new ATOM 1263 N THR A 80 0.058 -1.204 -6.538 1.00 64.25 N ATOM 1264 CA THR A 80 1.497 -1.541 -6.574 1.00 13.14 C ATOM 1265 C THR A 80 2.205 -0.976 -7.813 1.00 22.53 C ATOM 1266 O THR A 80 3.393 -0.654 -7.769 1.00 13.31 O ATOM 1267 CB THR A 80 1.720 -3.068 -6.547 1.00 50.44 C ATOM 1268 OG1 THR A 80 1.065 -3.673 -7.670 1.00 20.13 O ATOM 1269 CG2 THR A 80 1.195 -3.679 -5.254 1.00 25.44 C ATOM 0 H THR A 80 -0.559 -2.016 -6.504 1.00 64.25 H new ATOM 0 HA THR A 80 1.925 -1.083 -5.682 1.00 13.14 H new ATOM 0 HB THR A 80 2.792 -3.257 -6.602 1.00 50.44 H new ATOM 0 HG1 THR A 80 0.821 -4.596 -7.448 1.00 20.13 H new ATOM 0 HG21 THR A 80 1.366 -4.755 -5.264 1.00 25.44 H new ATOM 0 HG22 THR A 80 1.716 -3.237 -4.405 1.00 25.44 H new ATOM 0 HG23 THR A 80 0.126 -3.483 -5.166 1.00 25.44 H new ATOM 1277 N ILE A 81 1.465 -0.845 -8.911 1.00 64.04 N ATOM 1278 CA ILE A 81 2.022 -0.355 -10.181 1.00 74.23 C ATOM 1279 C ILE A 81 2.607 1.072 -10.053 1.00 63.31 C ATOM 1280 O ILE A 81 3.489 1.468 -10.821 1.00 33.22 O ATOM 1281 CB ILE A 81 0.941 -0.385 -11.298 1.00 3.44 C ATOM 1282 CG1 ILE A 81 1.542 -0.002 -12.667 1.00 64.40 C ATOM 1283 CG2 ILE A 81 -0.232 0.533 -10.948 1.00 12.40 C ATOM 1284 CD1 ILE A 81 2.621 -0.951 -13.154 1.00 24.11 C ATOM 0 H ILE A 81 0.471 -1.071 -8.952 1.00 64.04 H new ATOM 0 HA ILE A 81 2.840 -1.024 -10.449 1.00 74.23 H new ATOM 0 HB ILE A 81 0.567 -1.406 -11.369 1.00 3.44 H new ATOM 0 HG12 ILE A 81 0.742 0.033 -13.407 1.00 64.40 H new ATOM 0 HG13 ILE A 81 1.959 1.003 -12.601 1.00 64.40 H new ATOM 0 HG21 ILE A 81 -0.975 0.494 -11.745 1.00 12.40 H new ATOM 0 HG22 ILE A 81 -0.685 0.204 -10.013 1.00 12.40 H new ATOM 0 HG23 ILE A 81 0.127 1.556 -10.836 1.00 12.40 H new ATOM 0 HD11 ILE A 81 2.993 -0.614 -14.122 1.00 24.11 H new ATOM 0 HD12 ILE A 81 3.441 -0.968 -12.436 1.00 24.11 H new ATOM 0 HD13 ILE A 81 2.205 -1.954 -13.254 1.00 24.11 H new ATOM 1296 N GLN A 82 2.125 1.833 -9.069 1.00 53.24 N ATOM 1297 CA GLN A 82 2.584 3.214 -8.856 1.00 10.44 C ATOM 1298 C GLN A 82 3.732 3.284 -7.829 1.00 53.41 C ATOM 1299 O GLN A 82 4.289 4.356 -7.574 1.00 20.50 O ATOM 1300 CB GLN A 82 1.413 4.089 -8.387 1.00 44.15 C ATOM 1301 CG GLN A 82 0.176 3.978 -9.270 1.00 13.41 C ATOM 1302 CD GLN A 82 -0.952 4.894 -8.830 1.00 32.14 C ATOM 1303 OE1 GLN A 82 -1.071 6.021 -9.298 1.00 64.34 O ATOM 1304 NE2 GLN A 82 -1.776 4.429 -7.911 1.00 12.43 N ATOM 0 H GLN A 82 1.417 1.520 -8.405 1.00 53.24 H new ATOM 0 HA GLN A 82 2.964 3.586 -9.807 1.00 10.44 H new ATOM 0 HB2 GLN A 82 1.147 3.810 -7.367 1.00 44.15 H new ATOM 0 HB3 GLN A 82 1.737 5.129 -8.359 1.00 44.15 H new ATOM 0 HG2 GLN A 82 0.448 4.215 -10.299 1.00 13.41 H new ATOM 0 HG3 GLN A 82 -0.177 2.947 -9.263 1.00 13.41 H new ATOM 0 HE21 GLN A 82 -1.649 3.486 -7.542 1.00 12.43 H new ATOM 0 HE22 GLN A 82 -2.540 5.012 -7.569 1.00 12.43 H new ATOM 1313 N ILE A 83 4.086 2.138 -7.247 1.00 15.53 N ATOM 1314 CA ILE A 83 5.132 2.077 -6.219 1.00 41.02 C ATOM 1315 C ILE A 83 6.533 1.945 -6.845 1.00 52.53 C ATOM 1316 O ILE A 83 6.942 0.865 -7.272 1.00 22.12 O ATOM 1317 CB ILE A 83 4.896 0.895 -5.240 1.00 43.41 C ATOM 1318 CG1 ILE A 83 3.485 0.974 -4.625 1.00 41.11 C ATOM 1319 CG2 ILE A 83 5.962 0.872 -4.144 1.00 12.10 C ATOM 1320 CD1 ILE A 83 3.215 2.249 -3.851 1.00 62.15 C ATOM 0 H ILE A 83 3.664 1.236 -7.469 1.00 15.53 H new ATOM 0 HA ILE A 83 5.080 3.014 -5.665 1.00 41.02 H new ATOM 0 HB ILE A 83 4.973 -0.034 -5.805 1.00 43.41 H new ATOM 0 HG12 ILE A 83 2.748 0.883 -5.423 1.00 41.11 H new ATOM 0 HG13 ILE A 83 3.342 0.122 -3.961 1.00 41.11 H new ATOM 0 HG21 ILE A 83 5.774 0.035 -3.471 1.00 12.10 H new ATOM 0 HG22 ILE A 83 6.947 0.760 -4.597 1.00 12.10 H new ATOM 0 HG23 ILE A 83 5.926 1.805 -3.581 1.00 12.10 H new ATOM 0 HD11 ILE A 83 2.201 2.224 -3.452 1.00 62.15 H new ATOM 0 HD12 ILE A 83 3.927 2.334 -3.030 1.00 62.15 H new ATOM 0 HD13 ILE A 83 3.323 3.107 -4.514 1.00 62.15 H new ATOM 1332 N ALA A 84 7.269 3.055 -6.876 1.00 45.43 N ATOM 1333 CA ALA A 84 8.615 3.098 -7.473 1.00 63.51 C ATOM 1334 C ALA A 84 9.592 2.108 -6.818 1.00 40.03 C ATOM 1335 O ALA A 84 10.596 1.717 -7.422 1.00 30.41 O ATOM 1336 CB ALA A 84 9.169 4.511 -7.374 1.00 22.51 C ATOM 0 H ALA A 84 6.957 3.947 -6.492 1.00 45.43 H new ATOM 0 HA ALA A 84 8.515 2.800 -8.517 1.00 63.51 H new ATOM 0 HB1 ALA A 84 10.165 4.543 -7.816 1.00 22.51 H new ATOM 0 HB2 ALA A 84 8.513 5.197 -7.909 1.00 22.51 H new ATOM 0 HB3 ALA A 84 9.227 4.807 -6.326 1.00 22.51 H new ATOM 1342 N ASN A 85 9.300 1.715 -5.582 1.00 34.24 N ATOM 1343 CA ASN A 85 10.166 0.801 -4.825 1.00 71.30 C ATOM 1344 C ASN A 85 9.823 -0.676 -5.097 1.00 2.34 C ATOM 1345 O ASN A 85 10.494 -1.579 -4.596 1.00 24.21 O ATOM 1346 CB ASN A 85 10.049 1.109 -3.330 1.00 33.43 C ATOM 1347 CG ASN A 85 10.444 2.540 -3.004 1.00 42.34 C ATOM 1348 OD1 ASN A 85 9.852 3.178 -2.148 1.00 1.13 O ATOM 1349 ND2 ASN A 85 11.466 3.049 -3.664 1.00 33.44 N ATOM 0 H ASN A 85 8.466 2.014 -5.076 1.00 34.24 H new ATOM 0 HA ASN A 85 11.193 0.958 -5.154 1.00 71.30 H new ATOM 0 HB2 ASN A 85 9.024 0.934 -3.004 1.00 33.43 H new ATOM 0 HB3 ASN A 85 10.683 0.422 -2.769 1.00 33.43 H new ATOM 0 HD21 ASN A 85 11.780 3.999 -3.464 1.00 33.44 H new ATOM 0 HD22 ASN A 85 11.942 2.493 -4.374 1.00 33.44 H new ATOM 1356 N PHE A 86 8.781 -0.916 -5.892 1.00 23.23 N ATOM 1357 CA PHE A 86 8.386 -2.279 -6.272 1.00 41.30 C ATOM 1358 C PHE A 86 9.122 -2.728 -7.549 1.00 52.33 C ATOM 1359 O PHE A 86 9.258 -1.949 -8.499 1.00 72.14 O ATOM 1360 CB PHE A 86 6.860 -2.355 -6.478 1.00 22.43 C ATOM 1361 CG PHE A 86 6.155 -3.243 -5.478 1.00 22.24 C ATOM 1362 CD1 PHE A 86 5.931 -2.808 -4.178 1.00 10.54 C ATOM 1363 CD2 PHE A 86 5.720 -4.512 -5.837 1.00 52.41 C ATOM 1364 CE1 PHE A 86 5.290 -3.620 -3.260 1.00 1.25 C ATOM 1365 CE2 PHE A 86 5.078 -5.326 -4.922 1.00 71.23 C ATOM 1366 CZ PHE A 86 4.865 -4.881 -3.632 1.00 21.12 C ATOM 0 H PHE A 86 8.191 -0.184 -6.288 1.00 23.23 H new ATOM 0 HA PHE A 86 8.666 -2.954 -5.463 1.00 41.30 H new ATOM 0 HB2 PHE A 86 6.443 -1.350 -6.415 1.00 22.43 H new ATOM 0 HB3 PHE A 86 6.656 -2.722 -7.484 1.00 22.43 H new ATOM 0 HD1 PHE A 86 6.261 -1.824 -3.880 1.00 10.54 H new ATOM 0 HD2 PHE A 86 5.885 -4.868 -6.843 1.00 52.41 H new ATOM 0 HE1 PHE A 86 5.122 -3.269 -2.253 1.00 1.25 H new ATOM 0 HE2 PHE A 86 4.743 -6.310 -5.216 1.00 71.23 H new ATOM 0 HZ PHE A 86 4.367 -5.517 -2.915 1.00 21.12 H new