USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=11 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 Set 1.1: A 39 GLN : amide:sc= 0.472 K(o=-1.4,f=0.8) USER MOD Set 1.2: A 82 GLN : amide:sc= -1.91! K(o=-1.4!,f=0.8) USER MOD Single : A 19 SER OG : rot 180:sc= -0.251 USER MOD Single : A 23 SER OG : rot 180:sc= -0.0818 USER MOD Single : A 24 LYS NZ :NH3+ -168:sc=-0.00382 (180deg=-0.131) USER MOD Single : A 30 ASN : amide:sc= 0.0672 K(o=0.067,f=-3.1!) USER MOD Single : A 31 LYS NZ :NH3+ -120:sc= -0.0971 (180deg=-2.01) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -31:sc= 0.669 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.106 K(o=-0.11,f=-3.1!) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.17) 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) USER MOD Single : A 56 THR OG1 : rot -9:sc= 0.37 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.951 K(o=-0.95,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -157:sc= 0.936 USER MOD Single : A 85 ASN : amide:sc= -0.381 X(o=-0.38,f=0) USER MOD ----------------------------------------------------------------- ATOM 289 N LEU A 18 -7.421 -12.370 0.511 1.00 61.32 N ATOM 290 CA LEU A 18 -6.462 -11.367 1.000 1.00 3.21 C ATOM 291 C LEU A 18 -5.399 -12.007 1.912 1.00 61.54 C ATOM 292 O LEU A 18 -5.698 -12.905 2.703 1.00 32.24 O ATOM 293 CB LEU A 18 -7.197 -10.251 1.764 1.00 53.45 C ATOM 294 CG LEU A 18 -8.173 -9.405 0.928 1.00 1.04 C ATOM 295 CD1 LEU A 18 -8.950 -8.438 1.821 1.00 31.24 C ATOM 296 CD2 LEU A 18 -7.427 -8.637 -0.165 1.00 62.34 C ATOM 0 HA LEU A 18 -5.959 -10.940 0.133 1.00 3.21 H new ATOM 0 HB2 LEU A 18 -7.749 -10.702 2.588 1.00 53.45 H new ATOM 0 HB3 LEU A 18 -6.454 -9.587 2.205 1.00 53.45 H new ATOM 0 HG LEU A 18 -8.882 -10.081 0.450 1.00 1.04 H new ATOM 0 HD11 LEU A 18 -9.635 -7.849 1.210 1.00 31.24 H new ATOM 0 HD12 LEU A 18 -9.518 -9.002 2.561 1.00 31.24 H new ATOM 0 HD13 LEU A 18 -8.253 -7.772 2.329 1.00 31.24 H new ATOM 0 HD21 LEU A 18 -8.137 -8.046 -0.743 1.00 62.34 H new ATOM 0 HD22 LEU A 18 -6.692 -7.975 0.293 1.00 62.34 H new ATOM 0 HD23 LEU A 18 -6.920 -9.342 -0.824 1.00 62.34 H new ATOM 308 N SER A 19 -4.158 -11.540 1.793 1.00 10.41 N ATOM 309 CA SER A 19 -3.044 -12.049 2.614 1.00 2.13 C ATOM 310 C SER A 19 -2.305 -10.900 3.318 1.00 11.34 C ATOM 311 O SER A 19 -2.632 -9.731 3.119 1.00 23.22 O ATOM 312 CB SER A 19 -2.064 -12.844 1.739 1.00 71.32 C ATOM 313 OG SER A 19 -0.979 -13.364 2.497 1.00 14.41 O ATOM 0 H SER A 19 -3.891 -10.807 1.136 1.00 10.41 H new ATOM 0 HA SER A 19 -3.459 -12.706 3.378 1.00 2.13 H new ATOM 0 HB2 SER A 19 -2.594 -13.664 1.253 1.00 71.32 H new ATOM 0 HB3 SER A 19 -1.679 -12.200 0.948 1.00 71.32 H new ATOM 0 HG SER A 19 -0.378 -13.865 1.907 1.00 14.41 H new ATOM 319 N LEU A 20 -1.317 -11.234 4.146 1.00 74.20 N ATOM 320 CA LEU A 20 -0.525 -10.218 4.853 1.00 32.51 C ATOM 321 C LEU A 20 0.690 -9.804 3.999 1.00 60.25 C ATOM 322 O LEU A 20 1.391 -10.652 3.441 1.00 10.41 O ATOM 323 CB LEU A 20 -0.072 -10.756 6.232 1.00 34.13 C ATOM 324 CG LEU A 20 0.120 -9.704 7.351 1.00 54.35 C ATOM 325 CD1 LEU A 20 1.279 -8.758 7.052 1.00 1.31 C ATOM 326 CD2 LEU A 20 -1.171 -8.919 7.581 1.00 73.24 C ATOM 0 H LEU A 20 -1.043 -12.196 4.346 1.00 74.20 H new ATOM 0 HA LEU A 20 -1.145 -9.337 5.018 1.00 32.51 H new ATOM 0 HB2 LEU A 20 -0.806 -11.486 6.572 1.00 34.13 H new ATOM 0 HB3 LEU A 20 0.869 -11.289 6.099 1.00 34.13 H new ATOM 0 HG LEU A 20 0.369 -10.244 8.265 1.00 54.35 H new ATOM 0 HD11 LEU A 20 1.378 -8.036 7.863 1.00 1.31 H new ATOM 0 HD12 LEU A 20 2.202 -9.331 6.961 1.00 1.31 H new ATOM 0 HD13 LEU A 20 1.086 -8.230 6.118 1.00 1.31 H new ATOM 0 HD21 LEU A 20 -1.015 -8.185 8.371 1.00 73.24 H new ATOM 0 HD22 LEU A 20 -1.454 -8.407 6.661 1.00 73.24 H new ATOM 0 HD23 LEU A 20 -1.966 -9.604 7.875 1.00 73.24 H new ATOM 338 N LEU A 21 0.931 -8.499 3.893 1.00 23.33 N ATOM 339 CA LEU A 21 2.009 -7.974 3.050 1.00 43.21 C ATOM 340 C LEU A 21 3.405 -8.360 3.580 1.00 15.31 C ATOM 341 O LEU A 21 3.709 -8.195 4.761 1.00 63.20 O ATOM 342 CB LEU A 21 1.885 -6.447 2.942 1.00 31.22 C ATOM 343 CG LEU A 21 2.905 -5.757 2.015 1.00 61.21 C ATOM 344 CD1 LEU A 21 2.801 -6.296 0.588 1.00 63.55 C ATOM 345 CD2 LEU A 21 2.708 -4.241 2.036 1.00 43.22 C ATOM 0 H LEU A 21 0.394 -7.782 4.381 1.00 23.33 H new ATOM 0 HA LEU A 21 1.905 -8.423 2.062 1.00 43.21 H new ATOM 0 HB2 LEU A 21 0.882 -6.206 2.591 1.00 31.22 H new ATOM 0 HB3 LEU A 21 1.983 -6.021 3.941 1.00 31.22 H new ATOM 0 HG LEU A 21 3.905 -5.980 2.386 1.00 61.21 H new ATOM 0 HD11 LEU A 21 3.531 -5.792 -0.045 1.00 63.55 H new ATOM 0 HD12 LEU A 21 2.999 -7.368 0.589 1.00 63.55 H new ATOM 0 HD13 LEU A 21 1.798 -6.112 0.202 1.00 63.55 H new ATOM 0 HD21 LEU A 21 3.437 -3.770 1.376 1.00 43.22 H new ATOM 0 HD22 LEU A 21 1.701 -4.000 1.695 1.00 43.22 H new ATOM 0 HD23 LEU A 21 2.846 -3.870 3.052 1.00 43.22 H new ATOM 357 N GLU A 22 4.240 -8.881 2.682 1.00 0.10 N ATOM 358 CA GLU A 22 5.633 -9.234 3.001 1.00 34.35 C ATOM 359 C GLU A 22 6.436 -8.008 3.475 1.00 53.33 C ATOM 360 O GLU A 22 6.107 -6.875 3.129 1.00 21.44 O ATOM 361 CB GLU A 22 6.302 -9.848 1.762 1.00 42.21 C ATOM 362 CG GLU A 22 6.169 -8.984 0.508 1.00 54.42 C ATOM 363 CD GLU A 22 6.797 -9.615 -0.724 1.00 1.43 C ATOM 364 OE1 GLU A 22 6.409 -10.748 -1.071 1.00 3.34 O ATOM 365 OE2 GLU A 22 7.667 -8.979 -1.355 1.00 33.03 O ATOM 0 H GLU A 22 3.977 -9.072 1.715 1.00 0.10 H new ATOM 0 HA GLU A 22 5.621 -9.958 3.816 1.00 34.35 H new ATOM 0 HB2 GLU A 22 7.359 -10.010 1.972 1.00 42.21 H new ATOM 0 HB3 GLU A 22 5.862 -10.826 1.568 1.00 42.21 H new ATOM 0 HG2 GLU A 22 5.113 -8.797 0.314 1.00 54.42 H new ATOM 0 HG3 GLU A 22 6.636 -8.016 0.690 1.00 54.42 H new ATOM 372 N SER A 23 7.502 -8.241 4.244 1.00 13.54 N ATOM 373 CA SER A 23 8.306 -7.143 4.815 1.00 41.22 C ATOM 374 C SER A 23 9.019 -6.323 3.728 1.00 54.54 C ATOM 375 O SER A 23 9.016 -5.091 3.763 1.00 22.02 O ATOM 376 CB SER A 23 9.356 -7.694 5.788 1.00 1.51 C ATOM 377 OG SER A 23 10.317 -8.485 5.108 1.00 73.32 O ATOM 0 H SER A 23 7.833 -9.174 4.489 1.00 13.54 H new ATOM 0 HA SER A 23 7.613 -6.489 5.343 1.00 41.22 H new ATOM 0 HB2 SER A 23 9.854 -6.868 6.296 1.00 1.51 H new ATOM 0 HB3 SER A 23 8.866 -8.292 6.556 1.00 1.51 H new ATOM 0 HG SER A 23 10.976 -8.823 5.750 1.00 73.32 H new ATOM 383 N LYS A 24 9.632 -7.017 2.767 1.00 72.11 N ATOM 384 CA LYS A 24 10.326 -6.353 1.652 1.00 44.10 C ATOM 385 C LYS A 24 9.347 -5.500 0.826 1.00 25.02 C ATOM 386 O LYS A 24 9.713 -4.463 0.272 1.00 34.14 O ATOM 387 CB LYS A 24 11.020 -7.401 0.767 1.00 64.12 C ATOM 388 CG LYS A 24 11.944 -6.812 -0.299 1.00 33.22 C ATOM 389 CD LYS A 24 13.032 -5.930 0.317 1.00 14.35 C ATOM 390 CE LYS A 24 14.032 -5.443 -0.727 1.00 21.12 C ATOM 391 NZ LYS A 24 14.849 -6.559 -1.275 1.00 73.32 N ATOM 0 H LYS A 24 9.664 -8.036 2.735 1.00 72.11 H new ATOM 0 HA LYS A 24 11.084 -5.685 2.062 1.00 44.10 H new ATOM 0 HB2 LYS A 24 11.599 -8.071 1.403 1.00 64.12 H new ATOM 0 HB3 LYS A 24 10.258 -8.007 0.276 1.00 64.12 H new ATOM 0 HG2 LYS A 24 12.408 -7.620 -0.865 1.00 33.22 H new ATOM 0 HG3 LYS A 24 11.357 -6.225 -1.005 1.00 33.22 H new ATOM 0 HD2 LYS A 24 12.570 -5.072 0.805 1.00 14.35 H new ATOM 0 HD3 LYS A 24 13.558 -6.490 1.090 1.00 14.35 H new ATOM 0 HE2 LYS A 24 13.498 -4.951 -1.540 1.00 21.12 H new ATOM 0 HE3 LYS A 24 14.689 -4.697 -0.280 1.00 21.12 H new ATOM 0 HZ1 LYS A 24 15.644 -6.171 -1.822 1.00 73.32 H new ATOM 0 HZ2 LYS A 24 15.216 -7.137 -0.492 1.00 73.32 H new ATOM 0 HZ3 LYS A 24 14.259 -7.150 -1.895 1.00 73.32 H new ATOM 405 N GLY A 25 8.099 -5.952 0.751 1.00 51.31 N ATOM 406 CA GLY A 25 7.047 -5.158 0.131 1.00 41.05 C ATOM 407 C GLY A 25 6.589 -4.009 1.025 1.00 61.14 C ATOM 408 O GLY A 25 6.427 -2.878 0.567 1.00 55.24 O ATOM 0 H GLY A 25 7.794 -6.857 1.109 1.00 51.31 H new ATOM 0 HA2 GLY A 25 7.407 -4.757 -0.817 1.00 41.05 H new ATOM 0 HA3 GLY A 25 6.196 -5.800 -0.097 1.00 41.05 H new ATOM 412 N LEU A 26 6.406 -4.303 2.311 1.00 32.14 N ATOM 413 CA LEU A 26 5.957 -3.314 3.300 1.00 65.32 C ATOM 414 C LEU A 26 6.853 -2.070 3.293 1.00 34.20 C ATOM 415 O LEU A 26 6.368 -0.935 3.227 1.00 63.02 O ATOM 416 CB LEU A 26 5.956 -3.949 4.698 1.00 64.11 C ATOM 417 CG LEU A 26 5.464 -3.043 5.840 1.00 34.45 C ATOM 418 CD1 LEU A 26 3.997 -2.676 5.645 1.00 30.21 C ATOM 419 CD2 LEU A 26 5.679 -3.715 7.194 1.00 23.20 C ATOM 0 H LEU A 26 6.564 -5.232 2.701 1.00 32.14 H new ATOM 0 HA LEU A 26 4.947 -3.001 3.036 1.00 65.32 H new ATOM 0 HB2 LEU A 26 5.331 -4.841 4.671 1.00 64.11 H new ATOM 0 HB3 LEU A 26 6.970 -4.277 4.929 1.00 64.11 H new ATOM 0 HG LEU A 26 6.049 -2.123 5.821 1.00 34.45 H new ATOM 0 HD11 LEU A 26 3.670 -2.035 6.464 1.00 30.21 H new ATOM 0 HD12 LEU A 26 3.877 -2.147 4.700 1.00 30.21 H new ATOM 0 HD13 LEU A 26 3.394 -3.584 5.632 1.00 30.21 H new ATOM 0 HD21 LEU A 26 5.324 -3.057 7.987 1.00 23.20 H new ATOM 0 HD22 LEU A 26 5.126 -4.654 7.226 1.00 23.20 H new ATOM 0 HD23 LEU A 26 6.741 -3.915 7.336 1.00 23.20 H new ATOM 431 N GLU A 27 8.166 -2.286 3.354 1.00 41.20 N ATOM 432 CA GLU A 27 9.124 -1.183 3.297 1.00 14.12 C ATOM 433 C GLU A 27 9.016 -0.433 1.960 1.00 32.53 C ATOM 434 O GLU A 27 9.246 0.769 1.902 1.00 44.45 O ATOM 435 CB GLU A 27 10.560 -1.690 3.489 1.00 22.52 C ATOM 436 CG GLU A 27 11.108 -2.458 2.291 1.00 52.45 C ATOM 437 CD GLU A 27 12.538 -2.919 2.491 1.00 73.33 C ATOM 438 OE1 GLU A 27 12.756 -3.899 3.231 1.00 50.22 O ATOM 439 OE2 GLU A 27 13.450 -2.284 1.920 1.00 53.43 O ATOM 0 H GLU A 27 8.589 -3.210 3.442 1.00 41.20 H new ATOM 0 HA GLU A 27 8.882 -0.497 4.109 1.00 14.12 H new ATOM 0 HB2 GLU A 27 11.211 -0.840 3.692 1.00 22.52 H new ATOM 0 HB3 GLU A 27 10.593 -2.334 4.368 1.00 22.52 H new ATOM 0 HG2 GLU A 27 10.475 -3.325 2.101 1.00 52.45 H new ATOM 0 HG3 GLU A 27 11.056 -1.825 1.405 1.00 52.45 H new ATOM 446 N ALA A 28 8.657 -1.149 0.892 1.00 34.12 N ATOM 447 CA ALA A 28 8.523 -0.545 -0.438 1.00 61.20 C ATOM 448 C ALA A 28 7.360 0.454 -0.479 1.00 12.51 C ATOM 449 O ALA A 28 7.457 1.513 -1.106 1.00 64.14 O ATOM 450 CB ALA A 28 8.337 -1.628 -1.495 1.00 42.42 C ATOM 0 H ALA A 28 8.454 -2.148 0.921 1.00 34.12 H new ATOM 0 HA ALA A 28 9.440 0.002 -0.655 1.00 61.20 H new ATOM 0 HB1 ALA A 28 8.239 -1.165 -2.477 1.00 42.42 H new ATOM 0 HB2 ALA A 28 9.201 -2.292 -1.492 1.00 42.42 H new ATOM 0 HB3 ALA A 28 7.437 -2.202 -1.273 1.00 42.42 H new ATOM 456 N LEU A 29 6.261 0.110 0.193 1.00 51.10 N ATOM 457 CA LEU A 29 5.116 1.021 0.325 1.00 20.10 C ATOM 458 C LEU A 29 5.519 2.285 1.101 1.00 60.14 C ATOM 459 O LEU A 29 5.345 3.405 0.617 1.00 65.54 O ATOM 460 CB LEU A 29 3.941 0.313 1.032 1.00 24.23 C ATOM 461 CG LEU A 29 3.047 -0.572 0.141 1.00 60.21 C ATOM 462 CD1 LEU A 29 2.305 0.274 -0.889 1.00 53.33 C ATOM 463 CD2 LEU A 29 3.857 -1.670 -0.545 1.00 31.03 C ATOM 0 H LEU A 29 6.136 -0.791 0.655 1.00 51.10 H new ATOM 0 HA LEU A 29 4.795 1.315 -0.675 1.00 20.10 H new ATOM 0 HB2 LEU A 29 4.345 -0.305 1.834 1.00 24.23 H new ATOM 0 HB3 LEU A 29 3.314 1.072 1.500 1.00 24.23 H new ATOM 0 HG LEU A 29 2.312 -1.055 0.785 1.00 60.21 H new ATOM 0 HD11 LEU A 29 1.680 -0.371 -1.507 1.00 53.33 H new ATOM 0 HD12 LEU A 29 1.678 1.004 -0.377 1.00 53.33 H new ATOM 0 HD13 LEU A 29 3.026 0.794 -1.520 1.00 53.33 H new ATOM 0 HD21 LEU A 29 3.196 -2.276 -1.165 1.00 31.03 H new ATOM 0 HD22 LEU A 29 4.627 -1.218 -1.169 1.00 31.03 H new ATOM 0 HD23 LEU A 29 4.326 -2.301 0.210 1.00 31.03 H new ATOM 475 N ASN A 30 6.086 2.094 2.291 1.00 21.21 N ATOM 476 CA ASN A 30 6.534 3.212 3.135 1.00 74.54 C ATOM 477 C ASN A 30 7.581 4.083 2.419 1.00 75.13 C ATOM 478 O ASN A 30 7.528 5.315 2.481 1.00 43.10 O ATOM 479 CB ASN A 30 7.102 2.670 4.448 1.00 12.10 C ATOM 480 CG ASN A 30 6.050 1.953 5.271 1.00 34.53 C ATOM 481 OD1 ASN A 30 4.889 2.349 5.301 1.00 2.03 O ATOM 482 ND2 ASN A 30 6.437 0.873 5.915 1.00 53.22 N ATOM 0 H ASN A 30 6.249 1.173 2.698 1.00 21.21 H new ATOM 0 HA ASN A 30 5.672 3.845 3.344 1.00 74.54 H new ATOM 0 HB2 ASN A 30 7.922 1.985 4.232 1.00 12.10 H new ATOM 0 HB3 ASN A 30 7.518 3.493 5.030 1.00 12.10 H new ATOM 0 HD21 ASN A 30 5.763 0.336 6.461 1.00 53.22 H new ATOM 0 HD22 ASN A 30 7.411 0.573 5.868 1.00 53.22 H new ATOM 489 N LYS A 31 8.528 3.438 1.740 1.00 51.15 N ATOM 490 CA LYS A 31 9.522 4.144 0.919 1.00 11.02 C ATOM 491 C LYS A 31 8.836 5.022 -0.140 1.00 55.15 C ATOM 492 O LYS A 31 9.192 6.187 -0.334 1.00 32.51 O ATOM 493 CB LYS A 31 10.456 3.130 0.234 1.00 1.11 C ATOM 494 CG LYS A 31 11.540 2.555 1.145 1.00 70.32 C ATOM 495 CD LYS A 31 12.350 1.470 0.434 1.00 11.32 C ATOM 496 CE LYS A 31 13.520 0.979 1.281 1.00 20.51 C ATOM 497 NZ LYS A 31 13.083 0.366 2.563 1.00 33.23 N ATOM 0 H LYS A 31 8.632 2.423 1.740 1.00 51.15 H new ATOM 0 HA LYS A 31 10.108 4.789 1.573 1.00 11.02 H new ATOM 0 HB2 LYS A 31 9.856 2.309 -0.159 1.00 1.11 H new ATOM 0 HB3 LYS A 31 10.933 3.613 -0.619 1.00 1.11 H new ATOM 0 HG2 LYS A 31 12.206 3.354 1.469 1.00 70.32 H new ATOM 0 HG3 LYS A 31 11.081 2.139 2.042 1.00 70.32 H new ATOM 0 HD2 LYS A 31 11.698 0.630 0.195 1.00 11.32 H new ATOM 0 HD3 LYS A 31 12.726 1.860 -0.512 1.00 11.32 H new ATOM 0 HE2 LYS A 31 14.094 0.249 0.711 1.00 20.51 H new ATOM 0 HE3 LYS A 31 14.187 1.815 1.492 1.00 20.51 H new ATOM 0 HZ1 LYS A 31 13.493 0.895 3.359 1.00 33.23 H new ATOM 0 HZ2 LYS A 31 12.045 0.396 2.626 1.00 33.23 H new ATOM 0 HZ3 LYS A 31 13.404 -0.622 2.602 1.00 33.23 H new ATOM 511 N ALA A 32 7.835 4.456 -0.810 1.00 11.42 N ATOM 512 CA ALA A 32 7.076 5.176 -1.834 1.00 43.34 C ATOM 513 C ALA A 32 6.220 6.304 -1.220 1.00 12.34 C ATOM 514 O ALA A 32 5.960 7.326 -1.864 1.00 63.00 O ATOM 515 CB ALA A 32 6.206 4.197 -2.615 1.00 54.54 C ATOM 0 H ALA A 32 7.528 3.495 -0.662 1.00 11.42 H new ATOM 0 HA ALA A 32 7.784 5.646 -2.517 1.00 43.34 H new ATOM 0 HB1 ALA A 32 5.643 4.738 -3.376 1.00 54.54 H new ATOM 0 HB2 ALA A 32 6.839 3.450 -3.094 1.00 54.54 H new ATOM 0 HB3 ALA A 32 5.513 3.703 -1.934 1.00 54.54 H new ATOM 521 N ILE A 33 5.775 6.105 0.023 1.00 1.25 N ATOM 522 CA ILE A 33 5.038 7.137 0.765 1.00 3.44 C ATOM 523 C ILE A 33 5.923 8.365 1.026 1.00 31.11 C ATOM 524 O ILE A 33 5.570 9.491 0.664 1.00 31.22 O ATOM 525 CB ILE A 33 4.499 6.583 2.114 1.00 33.13 C ATOM 526 CG1 ILE A 33 3.416 5.519 1.861 1.00 43.10 C ATOM 527 CG2 ILE A 33 3.955 7.708 2.996 1.00 10.33 C ATOM 528 CD1 ILE A 33 2.877 4.871 3.121 1.00 52.23 C ATOM 0 H ILE A 33 5.912 5.237 0.540 1.00 1.25 H new ATOM 0 HA ILE A 33 4.191 7.437 0.148 1.00 3.44 H new ATOM 0 HB ILE A 33 5.329 6.116 2.644 1.00 33.13 H new ATOM 0 HG12 ILE A 33 2.589 5.979 1.320 1.00 43.10 H new ATOM 0 HG13 ILE A 33 3.828 4.744 1.214 1.00 43.10 H new ATOM 0 HG21 ILE A 33 3.585 7.290 3.932 1.00 10.33 H new ATOM 0 HG22 ILE A 33 4.751 8.422 3.207 1.00 10.33 H new ATOM 0 HG23 ILE A 33 3.141 8.215 2.478 1.00 10.33 H new ATOM 0 HD11 ILE A 33 2.119 4.134 2.855 1.00 52.23 H new ATOM 0 HD12 ILE A 33 3.691 4.379 3.654 1.00 52.23 H new ATOM 0 HD13 ILE A 33 2.433 5.634 3.761 1.00 52.23 H new ATOM 540 N VAL A 34 7.088 8.136 1.630 1.00 52.00 N ATOM 541 CA VAL A 34 8.051 9.213 1.886 1.00 15.50 C ATOM 542 C VAL A 34 8.539 9.831 0.564 1.00 50.34 C ATOM 543 O VAL A 34 8.825 11.025 0.484 1.00 73.31 O ATOM 544 CB VAL A 34 9.267 8.702 2.700 1.00 60.22 C ATOM 545 CG1 VAL A 34 10.221 9.849 3.036 1.00 3.12 C ATOM 546 CG2 VAL A 34 8.804 7.991 3.972 1.00 63.23 C ATOM 0 H VAL A 34 7.390 7.217 1.952 1.00 52.00 H new ATOM 0 HA VAL A 34 7.538 9.976 2.472 1.00 15.50 H new ATOM 0 HB VAL A 34 9.809 7.984 2.085 1.00 60.22 H new ATOM 0 HG11 VAL A 34 11.066 9.464 3.607 1.00 3.12 H new ATOM 0 HG12 VAL A 34 10.583 10.303 2.114 1.00 3.12 H new ATOM 0 HG13 VAL A 34 9.695 10.599 3.627 1.00 3.12 H new ATOM 0 HG21 VAL A 34 9.673 7.640 4.529 1.00 63.23 H new ATOM 0 HG22 VAL A 34 8.233 8.685 4.589 1.00 63.23 H new ATOM 0 HG23 VAL A 34 8.176 7.141 3.706 1.00 63.23 H new ATOM 556 N SER A 35 8.627 8.998 -0.471 1.00 12.21 N ATOM 557 CA SER A 35 8.957 9.462 -1.826 1.00 11.42 C ATOM 558 C SER A 35 7.829 10.330 -2.410 1.00 71.44 C ATOM 559 O SER A 35 8.077 11.226 -3.217 1.00 55.01 O ATOM 560 CB SER A 35 9.213 8.259 -2.746 1.00 3.42 C ATOM 561 OG SER A 35 9.504 8.657 -4.082 1.00 41.01 O ATOM 0 H SER A 35 8.474 7.992 -0.401 1.00 12.21 H new ATOM 0 HA SER A 35 9.858 10.071 -1.761 1.00 11.42 H new ATOM 0 HB2 SER A 35 10.045 7.674 -2.354 1.00 3.42 H new ATOM 0 HB3 SER A 35 8.338 7.610 -2.744 1.00 3.42 H new ATOM 0 HG SER A 35 9.662 7.862 -4.633 1.00 41.01 H new ATOM 567 N GLY A 36 6.591 10.060 -1.993 1.00 51.14 N ATOM 568 CA GLY A 36 5.445 10.836 -2.457 1.00 33.22 C ATOM 569 C GLY A 36 4.879 10.358 -3.794 1.00 21.32 C ATOM 570 O GLY A 36 4.468 11.169 -4.629 1.00 51.04 O ATOM 0 H GLY A 36 6.359 9.313 -1.338 1.00 51.14 H new ATOM 0 HA2 GLY A 36 4.659 10.792 -1.703 1.00 33.22 H new ATOM 0 HA3 GLY A 36 5.739 11.881 -2.550 1.00 33.22 H new ATOM 574 N THR A 37 4.852 9.042 -4.002 1.00 63.25 N ATOM 575 CA THR A 37 4.300 8.463 -5.242 1.00 23.34 C ATOM 576 C THR A 37 3.116 7.523 -4.962 1.00 70.42 C ATOM 577 O THR A 37 2.507 6.986 -5.889 1.00 63.45 O ATOM 578 CB THR A 37 5.382 7.694 -6.051 1.00 50.05 C ATOM 579 OG1 THR A 37 4.830 7.176 -7.274 1.00 53.54 O ATOM 580 CG2 THR A 37 5.976 6.551 -5.239 1.00 11.02 C ATOM 0 H THR A 37 5.202 8.354 -3.336 1.00 63.25 H new ATOM 0 HA THR A 37 3.946 9.306 -5.835 1.00 23.34 H new ATOM 0 HB THR A 37 6.176 8.403 -6.285 1.00 50.05 H new ATOM 0 HG1 THR A 37 3.882 6.965 -7.142 1.00 53.54 H new ATOM 0 HG21 THR A 37 6.729 6.035 -5.834 1.00 11.02 H new ATOM 0 HG22 THR A 37 6.438 6.948 -4.335 1.00 11.02 H new ATOM 0 HG23 THR A 37 5.187 5.851 -4.965 1.00 11.02 H new ATOM 588 N VAL A 38 2.791 7.319 -3.687 1.00 44.12 N ATOM 589 CA VAL A 38 1.640 6.486 -3.312 1.00 12.41 C ATOM 590 C VAL A 38 0.326 7.266 -3.435 1.00 24.31 C ATOM 591 O VAL A 38 -0.021 8.050 -2.556 1.00 33.24 O ATOM 592 CB VAL A 38 1.761 5.943 -1.864 1.00 53.23 C ATOM 593 CG1 VAL A 38 0.526 5.128 -1.477 1.00 14.45 C ATOM 594 CG2 VAL A 38 3.020 5.104 -1.703 1.00 54.55 C ATOM 0 H VAL A 38 3.302 7.714 -2.898 1.00 44.12 H new ATOM 0 HA VAL A 38 1.635 5.645 -4.005 1.00 12.41 H new ATOM 0 HB VAL A 38 1.829 6.800 -1.194 1.00 53.23 H new ATOM 0 HG11 VAL A 38 0.638 4.760 -0.457 1.00 14.45 H new ATOM 0 HG12 VAL A 38 -0.361 5.759 -1.540 1.00 14.45 H new ATOM 0 HG13 VAL A 38 0.419 4.284 -2.158 1.00 14.45 H new ATOM 0 HG21 VAL A 38 3.083 4.735 -0.679 1.00 54.55 H new ATOM 0 HG22 VAL A 38 2.985 4.260 -2.392 1.00 54.55 H new ATOM 0 HG23 VAL A 38 3.895 5.716 -1.922 1.00 54.55 H new ATOM 604 N GLN A 39 -0.393 7.066 -4.533 1.00 4.14 N ATOM 605 CA GLN A 39 -1.709 7.687 -4.703 1.00 15.42 C ATOM 606 C GLN A 39 -2.833 6.667 -4.476 1.00 75.31 C ATOM 607 O GLN A 39 -2.849 5.588 -5.073 1.00 15.51 O ATOM 608 CB GLN A 39 -1.835 8.341 -6.087 1.00 33.43 C ATOM 609 CG GLN A 39 -1.545 7.408 -7.258 1.00 43.12 C ATOM 610 CD GLN A 39 -1.733 8.086 -8.607 1.00 12.23 C ATOM 611 OE1 GLN A 39 -2.538 9.000 -8.752 1.00 14.13 O ATOM 612 NE2 GLN A 39 -1.001 7.640 -9.608 1.00 74.31 N ATOM 0 H GLN A 39 -0.094 6.484 -5.315 1.00 4.14 H new ATOM 0 HA GLN A 39 -1.808 8.470 -3.951 1.00 15.42 H new ATOM 0 HB2 GLN A 39 -2.844 8.738 -6.197 1.00 33.43 H new ATOM 0 HB3 GLN A 39 -1.152 9.189 -6.137 1.00 33.43 H new ATOM 0 HG2 GLN A 39 -0.522 7.040 -7.180 1.00 43.12 H new ATOM 0 HG3 GLN A 39 -2.201 6.540 -7.197 1.00 43.12 H new ATOM 0 HE21 GLN A 39 -0.340 6.878 -9.457 1.00 74.31 H new ATOM 0 HE22 GLN A 39 -1.096 8.057 -10.534 1.00 74.31 H new ATOM 621 N ARG A 40 -3.760 7.013 -3.589 1.00 23.14 N ATOM 622 CA ARG A 40 -4.896 6.143 -3.273 1.00 73.32 C ATOM 623 C ARG A 40 -5.924 6.116 -4.420 1.00 43.35 C ATOM 624 O ARG A 40 -5.714 6.733 -5.465 1.00 25.34 O ATOM 625 CB ARG A 40 -5.559 6.618 -1.973 1.00 40.51 C ATOM 626 CG ARG A 40 -6.136 8.028 -2.055 1.00 42.34 C ATOM 627 CD ARG A 40 -6.718 8.483 -0.720 1.00 70.11 C ATOM 628 NE ARG A 40 -5.689 8.677 0.304 1.00 74.03 N ATOM 629 CZ ARG A 40 -5.566 7.937 1.373 1.00 55.11 C ATOM 630 NH1 ARG A 40 -6.331 6.908 1.550 1.00 53.32 N ATOM 631 NH2 ARG A 40 -4.666 8.222 2.258 1.00 24.12 N ATOM 0 H ARG A 40 -3.750 7.892 -3.072 1.00 23.14 H new ATOM 0 HA ARG A 40 -4.524 5.127 -3.143 1.00 73.32 H new ATOM 0 HB2 ARG A 40 -6.357 5.924 -1.708 1.00 40.51 H new ATOM 0 HB3 ARG A 40 -4.825 6.582 -1.168 1.00 40.51 H new ATOM 0 HG2 ARG A 40 -5.355 8.722 -2.366 1.00 42.34 H new ATOM 0 HG3 ARG A 40 -6.913 8.059 -2.819 1.00 42.34 H new ATOM 0 HD2 ARG A 40 -7.263 9.416 -0.864 1.00 70.11 H new ATOM 0 HD3 ARG A 40 -7.439 7.744 -0.371 1.00 70.11 H new ATOM 0 HE ARG A 40 -5.025 9.440 0.174 1.00 74.03 H new ATOM 0 HH11 ARG A 40 -7.036 6.670 0.852 1.00 53.32 H new ATOM 0 HH12 ARG A 40 -6.229 6.335 2.387 1.00 53.32 H new ATOM 0 HH21 ARG A 40 -4.052 9.025 2.121 1.00 24.12 H new ATOM 0 HH22 ARG A 40 -4.570 7.644 3.093 1.00 24.12 H new ATOM 645 N ALA A 41 -7.034 5.406 -4.216 1.00 52.20 N ATOM 646 CA ALA A 41 -8.091 5.286 -5.234 1.00 65.34 C ATOM 647 C ALA A 41 -8.556 6.654 -5.774 1.00 71.12 C ATOM 648 O ALA A 41 -8.851 6.794 -6.963 1.00 14.14 O ATOM 649 CB ALA A 41 -9.277 4.520 -4.662 1.00 21.55 C ATOM 0 H ALA A 41 -7.230 4.901 -3.352 1.00 52.20 H new ATOM 0 HA ALA A 41 -7.666 4.739 -6.076 1.00 65.34 H new ATOM 0 HB1 ALA A 41 -10.055 4.435 -5.420 1.00 21.55 H new ATOM 0 HB2 ALA A 41 -8.955 3.524 -4.359 1.00 21.55 H new ATOM 0 HB3 ALA A 41 -9.671 5.053 -3.796 1.00 21.55 H new ATOM 655 N ASP A 42 -8.626 7.649 -4.889 1.00 42.32 N ATOM 656 CA ASP A 42 -9.016 9.016 -5.269 1.00 21.51 C ATOM 657 C ASP A 42 -7.973 9.663 -6.206 1.00 33.24 C ATOM 658 O ASP A 42 -8.293 10.552 -6.997 1.00 30.42 O ATOM 659 CB ASP A 42 -9.172 9.879 -4.009 1.00 70.14 C ATOM 660 CG ASP A 42 -10.045 9.217 -2.957 1.00 32.45 C ATOM 661 OD1 ASP A 42 -9.553 8.299 -2.271 1.00 14.11 O ATOM 662 OD2 ASP A 42 -11.220 9.609 -2.809 1.00 65.35 O ATOM 0 H ASP A 42 -8.417 7.537 -3.897 1.00 42.32 H new ATOM 0 HA ASP A 42 -9.964 8.957 -5.803 1.00 21.51 H new ATOM 0 HB2 ASP A 42 -8.188 10.080 -3.586 1.00 70.14 H new ATOM 0 HB3 ASP A 42 -9.604 10.841 -4.283 1.00 70.14 H new ATOM 667 N GLY A 43 -6.727 9.201 -6.115 1.00 62.25 N ATOM 668 CA GLY A 43 -5.628 9.807 -6.866 1.00 72.14 C ATOM 669 C GLY A 43 -4.756 10.711 -5.998 1.00 21.34 C ATOM 670 O GLY A 43 -3.719 11.204 -6.440 1.00 40.54 O ATOM 0 H GLY A 43 -6.453 8.411 -5.530 1.00 62.25 H new ATOM 0 HA2 GLY A 43 -5.011 9.020 -7.300 1.00 72.14 H new ATOM 0 HA3 GLY A 43 -6.035 10.387 -7.695 1.00 72.14 H new ATOM 674 N SER A 44 -5.185 10.934 -4.757 1.00 65.42 N ATOM 675 CA SER A 44 -4.431 11.762 -3.805 1.00 74.44 C ATOM 676 C SER A 44 -3.320 10.952 -3.122 1.00 21.05 C ATOM 677 O SER A 44 -3.465 9.750 -2.901 1.00 43.40 O ATOM 678 CB SER A 44 -5.374 12.343 -2.742 1.00 60.12 C ATOM 679 OG SER A 44 -6.438 13.069 -3.341 1.00 22.35 O ATOM 0 H SER A 44 -6.054 10.553 -4.382 1.00 65.42 H new ATOM 0 HA SER A 44 -3.970 12.576 -4.364 1.00 74.44 H new ATOM 0 HB2 SER A 44 -5.779 11.536 -2.131 1.00 60.12 H new ATOM 0 HB3 SER A 44 -4.814 12.998 -2.074 1.00 60.12 H new ATOM 0 HG SER A 44 -7.024 13.427 -2.642 1.00 22.35 H new ATOM 685 N ILE A 45 -2.225 11.622 -2.768 1.00 12.44 N ATOM 686 CA ILE A 45 -1.051 10.946 -2.197 1.00 3.20 C ATOM 687 C ILE A 45 -1.253 10.595 -0.706 1.00 10.45 C ATOM 688 O ILE A 45 -1.913 11.324 0.035 1.00 35.20 O ATOM 689 CB ILE A 45 0.223 11.824 -2.354 1.00 63.24 C ATOM 690 CG1 ILE A 45 0.483 12.136 -3.841 1.00 44.21 C ATOM 691 CG2 ILE A 45 1.445 11.144 -1.727 1.00 62.43 C ATOM 692 CD1 ILE A 45 0.719 10.907 -4.701 1.00 24.21 C ATOM 0 H ILE A 45 -2.122 12.632 -2.865 1.00 12.44 H new ATOM 0 HA ILE A 45 -0.923 10.016 -2.752 1.00 3.20 H new ATOM 0 HB ILE A 45 0.052 12.762 -1.825 1.00 63.24 H new ATOM 0 HG12 ILE A 45 -0.369 12.687 -4.240 1.00 44.21 H new ATOM 0 HG13 ILE A 45 1.351 12.791 -3.917 1.00 44.21 H new ATOM 0 HG21 ILE A 45 2.320 11.781 -1.852 1.00 62.43 H new ATOM 0 HG22 ILE A 45 1.265 10.980 -0.665 1.00 62.43 H new ATOM 0 HG23 ILE A 45 1.620 10.187 -2.218 1.00 62.43 H new ATOM 0 HD11 ILE A 45 0.894 11.213 -5.732 1.00 24.21 H new ATOM 0 HD12 ILE A 45 1.589 10.365 -4.331 1.00 24.21 H new ATOM 0 HD13 ILE A 45 -0.157 10.259 -4.658 1.00 24.21 H new ATOM 704 N GLN A 46 -0.692 9.460 -0.289 1.00 31.23 N ATOM 705 CA GLN A 46 -0.724 9.026 1.113 1.00 34.42 C ATOM 706 C GLN A 46 0.551 9.471 1.850 1.00 31.55 C ATOM 707 O GLN A 46 1.658 9.328 1.329 1.00 61.23 O ATOM 708 CB GLN A 46 -0.865 7.497 1.175 1.00 21.13 C ATOM 709 CG GLN A 46 -0.767 6.915 2.582 1.00 72.32 C ATOM 710 CD GLN A 46 -0.948 5.405 2.611 1.00 50.15 C ATOM 711 OE1 GLN A 46 -0.622 4.709 1.657 1.00 23.53 O ATOM 712 NE2 GLN A 46 -1.460 4.885 3.708 1.00 25.04 N ATOM 0 H GLN A 46 -0.203 8.815 -0.910 1.00 31.23 H new ATOM 0 HA GLN A 46 -1.580 9.489 1.604 1.00 34.42 H new ATOM 0 HB2 GLN A 46 -1.825 7.214 0.743 1.00 21.13 H new ATOM 0 HB3 GLN A 46 -0.091 7.047 0.553 1.00 21.13 H new ATOM 0 HG2 GLN A 46 0.204 7.168 3.008 1.00 72.32 H new ATOM 0 HG3 GLN A 46 -1.523 7.379 3.215 1.00 72.32 H new ATOM 0 HE21 GLN A 46 -1.722 5.491 4.486 1.00 25.04 H new ATOM 0 HE22 GLN A 46 -1.595 3.876 3.780 1.00 25.04 H new ATOM 721 N ASN A 47 0.392 10.014 3.057 1.00 32.51 N ATOM 722 CA ASN A 47 1.537 10.492 3.849 1.00 63.43 C ATOM 723 C ASN A 47 1.773 9.631 5.101 1.00 43.44 C ATOM 724 O ASN A 47 2.899 9.534 5.594 1.00 40.30 O ATOM 725 CB ASN A 47 1.328 11.956 4.255 1.00 23.03 C ATOM 726 CG ASN A 47 1.185 12.869 3.050 1.00 22.34 C ATOM 727 OD1 ASN A 47 0.083 13.133 2.581 1.00 45.51 O ATOM 728 ND2 ASN A 47 2.295 13.349 2.531 1.00 42.15 N ATOM 0 H ASN A 47 -0.513 10.136 3.511 1.00 32.51 H new ATOM 0 HA ASN A 47 2.423 10.411 3.219 1.00 63.43 H new ATOM 0 HB2 ASN A 47 0.436 12.035 4.877 1.00 23.03 H new ATOM 0 HB3 ASN A 47 2.171 12.287 4.862 1.00 23.03 H new ATOM 0 HD21 ASN A 47 2.254 13.960 1.715 1.00 42.15 H new ATOM 0 HD22 ASN A 47 3.196 13.110 2.945 1.00 42.15 H new ATOM 735 N GLN A 48 0.716 9.006 5.614 1.00 71.40 N ATOM 736 CA GLN A 48 0.827 8.176 6.818 1.00 73.35 C ATOM 737 C GLN A 48 1.372 6.778 6.496 1.00 33.21 C ATOM 738 O GLN A 48 0.682 5.955 5.891 1.00 64.41 O ATOM 739 CB GLN A 48 -0.531 8.057 7.526 1.00 31.30 C ATOM 740 CG GLN A 48 -1.088 9.386 8.029 1.00 73.14 C ATOM 741 CD GLN A 48 -0.092 10.156 8.881 1.00 43.32 C ATOM 742 OE1 GLN A 48 0.644 11.005 8.386 1.00 53.13 O ATOM 743 NE2 GLN A 48 -0.038 9.846 10.159 1.00 41.11 N ATOM 0 H GLN A 48 -0.223 9.056 5.220 1.00 71.40 H new ATOM 0 HA GLN A 48 1.534 8.670 7.484 1.00 73.35 H new ATOM 0 HB2 GLN A 48 -1.250 7.611 6.839 1.00 31.30 H new ATOM 0 HB3 GLN A 48 -0.431 7.374 8.370 1.00 31.30 H new ATOM 0 HG2 GLN A 48 -1.380 9.999 7.176 1.00 73.14 H new ATOM 0 HG3 GLN A 48 -1.990 9.200 8.612 1.00 73.14 H new ATOM 0 HE21 GLN A 48 -0.664 9.136 10.538 1.00 41.11 H new ATOM 0 HE22 GLN A 48 0.630 10.316 10.770 1.00 41.11 H new ATOM 752 N SER A 49 2.614 6.524 6.901 1.00 20.42 N ATOM 753 CA SER A 49 3.236 5.206 6.719 1.00 54.33 C ATOM 754 C SER A 49 2.613 4.171 7.664 1.00 33.35 C ATOM 755 O SER A 49 2.225 4.493 8.789 1.00 1.42 O ATOM 756 CB SER A 49 4.750 5.286 6.957 1.00 34.53 C ATOM 757 OG SER A 49 5.052 5.787 8.252 1.00 22.13 O ATOM 0 H SER A 49 3.213 7.211 7.358 1.00 20.42 H new ATOM 0 HA SER A 49 3.056 4.891 5.691 1.00 54.33 H new ATOM 0 HB2 SER A 49 5.190 4.296 6.838 1.00 34.53 H new ATOM 0 HB3 SER A 49 5.204 5.929 6.203 1.00 34.53 H new ATOM 0 HG SER A 49 6.024 5.823 8.370 1.00 22.13 H new ATOM 763 N LEU A 50 2.527 2.920 7.216 1.00 12.05 N ATOM 764 CA LEU A 50 1.862 1.869 7.995 1.00 52.31 C ATOM 765 C LEU A 50 2.815 0.725 8.376 1.00 4.53 C ATOM 766 O LEU A 50 3.869 0.534 7.765 1.00 40.11 O ATOM 767 CB LEU A 50 0.626 1.338 7.235 1.00 21.43 C ATOM 768 CG LEU A 50 0.792 1.134 5.711 1.00 13.32 C ATOM 769 CD1 LEU A 50 1.754 -0.010 5.393 1.00 33.45 C ATOM 770 CD2 LEU A 50 -0.567 0.891 5.052 1.00 60.32 C ATOM 0 H LEU A 50 2.906 2.607 6.322 1.00 12.05 H new ATOM 0 HA LEU A 50 1.532 2.318 8.931 1.00 52.31 H new ATOM 0 HB2 LEU A 50 0.336 0.385 7.678 1.00 21.43 H new ATOM 0 HB3 LEU A 50 -0.200 2.030 7.399 1.00 21.43 H new ATOM 0 HG LEU A 50 1.224 2.048 5.303 1.00 13.32 H new ATOM 0 HD11 LEU A 50 1.843 -0.121 4.312 1.00 33.45 H new ATOM 0 HD12 LEU A 50 2.734 0.210 5.817 1.00 33.45 H new ATOM 0 HD13 LEU A 50 1.372 -0.936 5.822 1.00 33.45 H new ATOM 0 HD21 LEU A 50 -0.431 0.750 3.980 1.00 60.32 H new ATOM 0 HD22 LEU A 50 -1.025 -0.000 5.481 1.00 60.32 H new ATOM 0 HD23 LEU A 50 -1.214 1.751 5.225 1.00 60.32 H new ATOM 782 N HIS A 51 2.434 -0.024 9.408 1.00 65.01 N ATOM 783 CA HIS A 51 3.228 -1.161 9.888 1.00 3.21 C ATOM 784 C HIS A 51 2.589 -2.501 9.478 1.00 61.54 C ATOM 785 O HIS A 51 3.283 -3.502 9.299 1.00 14.21 O ATOM 786 CB HIS A 51 3.386 -1.082 11.410 1.00 73.50 C ATOM 787 CG HIS A 51 4.017 0.198 11.877 1.00 23.44 C ATOM 788 ND1 HIS A 51 3.292 1.287 12.318 1.00 63.14 N ATOM 789 CD2 HIS A 51 5.319 0.567 11.959 1.00 21.14 C ATOM 790 CE1 HIS A 51 4.113 2.262 12.647 1.00 60.42 C ATOM 791 NE2 HIS A 51 5.345 1.851 12.439 1.00 51.53 N ATOM 0 H HIS A 51 1.574 0.135 9.934 1.00 65.01 H new ATOM 0 HA HIS A 51 4.214 -1.110 9.426 1.00 3.21 H new ATOM 0 HB2 HIS A 51 2.406 -1.187 11.876 1.00 73.50 H new ATOM 0 HB3 HIS A 51 3.992 -1.922 11.749 1.00 73.50 H new ATOM 0 HD2 HIS A 51 6.175 -0.037 11.696 1.00 21.14 H new ATOM 0 HE1 HIS A 51 3.825 3.232 13.023 1.00 60.42 H new ATOM 0 HE2 HIS A 51 6.187 2.401 12.608 1.00 51.53 H new ATOM 800 N GLU A 52 1.258 -2.515 9.351 1.00 13.34 N ATOM 801 CA GLU A 52 0.536 -3.688 8.836 1.00 41.22 C ATOM 802 C GLU A 52 -0.243 -3.337 7.560 1.00 54.10 C ATOM 803 O GLU A 52 -0.810 -2.247 7.439 1.00 1.21 O ATOM 804 CB GLU A 52 -0.445 -4.257 9.879 1.00 3.03 C ATOM 805 CG GLU A 52 0.196 -4.737 11.180 1.00 21.52 C ATOM 806 CD GLU A 52 0.560 -3.602 12.124 1.00 24.24 C ATOM 807 OE1 GLU A 52 -0.287 -2.710 12.338 1.00 40.14 O ATOM 808 OE2 GLU A 52 1.687 -3.597 12.658 1.00 22.30 O ATOM 0 H GLU A 52 0.657 -1.728 9.597 1.00 13.34 H new ATOM 0 HA GLU A 52 1.288 -4.444 8.610 1.00 41.22 H new ATOM 0 HB2 GLU A 52 -1.182 -3.490 10.117 1.00 3.03 H new ATOM 0 HB3 GLU A 52 -0.985 -5.090 9.430 1.00 3.03 H new ATOM 0 HG2 GLU A 52 -0.490 -5.416 11.686 1.00 21.52 H new ATOM 0 HG3 GLU A 52 1.094 -5.308 10.946 1.00 21.52 H new ATOM 815 N ALA A 53 -0.280 -4.272 6.616 1.00 22.11 N ATOM 816 CA ALA A 53 -0.999 -4.072 5.356 1.00 72.33 C ATOM 817 C ALA A 53 -1.422 -5.408 4.729 1.00 22.32 C ATOM 818 O ALA A 53 -0.775 -6.438 4.934 1.00 11.52 O ATOM 819 CB ALA A 53 -0.136 -3.277 4.380 1.00 33.01 C ATOM 0 H ALA A 53 0.180 -5.179 6.697 1.00 22.11 H new ATOM 0 HA ALA A 53 -1.906 -3.508 5.574 1.00 72.33 H new ATOM 0 HB1 ALA A 53 -0.680 -3.134 3.446 1.00 33.01 H new ATOM 0 HB2 ALA A 53 0.103 -2.306 4.813 1.00 33.01 H new ATOM 0 HB3 ALA A 53 0.787 -3.823 4.182 1.00 33.01 H new ATOM 825 N LEU A 54 -2.518 -5.387 3.974 1.00 53.24 N ATOM 826 CA LEU A 54 -3.022 -6.583 3.289 1.00 35.43 C ATOM 827 C LEU A 54 -2.646 -6.560 1.800 1.00 62.34 C ATOM 828 O LEU A 54 -2.573 -5.499 1.188 1.00 71.45 O ATOM 829 CB LEU A 54 -4.545 -6.676 3.438 1.00 55.03 C ATOM 830 CG LEU A 54 -5.061 -6.749 4.883 1.00 41.44 C ATOM 831 CD1 LEU A 54 -6.586 -6.687 4.914 1.00 51.23 C ATOM 832 CD2 LEU A 54 -4.555 -8.015 5.577 1.00 60.42 C ATOM 0 H LEU A 54 -3.080 -4.550 3.818 1.00 53.24 H new ATOM 0 HA LEU A 54 -2.562 -7.457 3.750 1.00 35.43 H new ATOM 0 HB2 LEU A 54 -4.994 -5.810 2.953 1.00 55.03 H new ATOM 0 HB3 LEU A 54 -4.893 -7.558 2.901 1.00 55.03 H new ATOM 0 HG LEU A 54 -4.674 -5.887 5.427 1.00 41.44 H new ATOM 0 HD11 LEU A 54 -6.931 -6.740 5.946 1.00 51.23 H new ATOM 0 HD12 LEU A 54 -6.921 -5.751 4.467 1.00 51.23 H new ATOM 0 HD13 LEU A 54 -6.996 -7.525 4.351 1.00 51.23 H new ATOM 0 HD21 LEU A 54 -4.933 -8.045 6.599 1.00 60.42 H new ATOM 0 HD22 LEU A 54 -4.906 -8.893 5.034 1.00 60.42 H new ATOM 0 HD23 LEU A 54 -3.465 -8.010 5.593 1.00 60.42 H new ATOM 844 N ILE A 55 -2.423 -7.729 1.216 1.00 52.23 N ATOM 845 CA ILE A 55 -2.009 -7.819 -0.186 1.00 61.33 C ATOM 846 C ILE A 55 -2.876 -8.815 -0.979 1.00 42.01 C ATOM 847 O ILE A 55 -3.223 -9.891 -0.485 1.00 71.25 O ATOM 848 CB ILE A 55 -0.513 -8.224 -0.292 1.00 74.34 C ATOM 849 CG1 ILE A 55 -0.037 -8.201 -1.754 1.00 23.34 C ATOM 850 CG2 ILE A 55 -0.270 -9.600 0.334 1.00 64.22 C ATOM 851 CD1 ILE A 55 -0.056 -6.827 -2.396 1.00 54.44 C ATOM 0 H ILE A 55 -2.520 -8.629 1.686 1.00 52.23 H new ATOM 0 HA ILE A 55 -2.146 -6.830 -0.623 1.00 61.33 H new ATOM 0 HB ILE A 55 0.069 -7.491 0.266 1.00 74.34 H new ATOM 0 HG12 ILE A 55 0.978 -8.596 -1.800 1.00 23.34 H new ATOM 0 HG13 ILE A 55 -0.667 -8.871 -2.339 1.00 23.34 H new ATOM 0 HG21 ILE A 55 0.785 -9.859 0.246 1.00 64.22 H new ATOM 0 HG22 ILE A 55 -0.551 -9.575 1.387 1.00 64.22 H new ATOM 0 HG23 ILE A 55 -0.871 -10.347 -0.185 1.00 64.22 H new ATOM 0 HD11 ILE A 55 0.294 -6.902 -3.425 1.00 54.44 H new ATOM 0 HD12 ILE A 55 -1.073 -6.435 -2.386 1.00 54.44 H new ATOM 0 HD13 ILE A 55 0.597 -6.156 -1.838 1.00 54.44 H new ATOM 863 N THR A 56 -3.240 -8.430 -2.203 1.00 62.44 N ATOM 864 CA THR A 56 -3.988 -9.310 -3.124 1.00 52.33 C ATOM 865 C THR A 56 -3.145 -10.516 -3.572 1.00 54.24 C ATOM 866 O THR A 56 -1.914 -10.441 -3.607 1.00 40.10 O ATOM 867 CB THR A 56 -4.439 -8.535 -4.390 1.00 42.12 C ATOM 868 OG1 THR A 56 -3.290 -8.029 -5.097 1.00 71.42 O ATOM 869 CG2 THR A 56 -5.362 -7.376 -4.027 1.00 72.55 C ATOM 0 H THR A 56 -3.031 -7.509 -2.589 1.00 62.44 H new ATOM 0 HA THR A 56 -4.859 -9.665 -2.572 1.00 52.33 H new ATOM 0 HB THR A 56 -4.987 -9.228 -5.029 1.00 42.12 H new ATOM 0 HG1 THR A 56 -2.487 -8.159 -4.551 1.00 71.42 H new ATOM 0 HG21 THR A 56 -5.662 -6.852 -4.934 1.00 72.55 H new ATOM 0 HG22 THR A 56 -6.247 -7.761 -3.521 1.00 72.55 H new ATOM 0 HG23 THR A 56 -4.837 -6.686 -3.366 1.00 72.55 H new ATOM 877 N ARG A 57 -3.806 -11.622 -3.935 1.00 51.45 N ATOM 878 CA ARG A 57 -3.099 -12.814 -4.434 1.00 1.23 C ATOM 879 C ARG A 57 -2.275 -12.503 -5.696 1.00 23.35 C ATOM 880 O ARG A 57 -1.192 -13.059 -5.897 1.00 15.13 O ATOM 881 CB ARG A 57 -4.090 -13.947 -4.743 1.00 33.33 C ATOM 882 CG ARG A 57 -4.807 -14.514 -3.519 1.00 73.34 C ATOM 883 CD ARG A 57 -3.825 -15.043 -2.473 1.00 43.31 C ATOM 884 NE ARG A 57 -2.867 -15.994 -3.040 1.00 54.43 N ATOM 885 CZ ARG A 57 -1.820 -16.449 -2.404 1.00 42.14 C ATOM 886 NH1 ARG A 57 -1.620 -16.155 -1.159 1.00 42.44 N ATOM 887 NH2 ARG A 57 -0.986 -17.226 -3.011 1.00 72.41 N ATOM 0 H ARG A 57 -4.821 -11.719 -3.894 1.00 51.45 H new ATOM 0 HA ARG A 57 -2.417 -13.131 -3.645 1.00 1.23 H new ATOM 0 HB2 ARG A 57 -4.836 -13.578 -5.447 1.00 33.33 H new ATOM 0 HB3 ARG A 57 -3.554 -14.755 -5.241 1.00 33.33 H new ATOM 0 HG2 ARG A 57 -5.430 -13.739 -3.072 1.00 73.34 H new ATOM 0 HG3 ARG A 57 -5.474 -15.318 -3.830 1.00 73.34 H new ATOM 0 HD2 ARG A 57 -3.284 -14.207 -2.030 1.00 43.31 H new ATOM 0 HD3 ARG A 57 -4.380 -15.526 -1.669 1.00 43.31 H new ATOM 0 HE ARG A 57 -3.027 -16.322 -3.992 1.00 54.43 H new ATOM 0 HH11 ARG A 57 -2.284 -15.561 -0.662 1.00 42.44 H new ATOM 0 HH12 ARG A 57 -0.798 -16.517 -0.675 1.00 42.44 H new ATOM 0 HH21 ARG A 57 -1.145 -17.483 -3.985 1.00 72.41 H new ATOM 0 HH22 ARG A 57 -0.168 -17.582 -2.516 1.00 72.41 H new ATOM 901 N ASP A 58 -2.797 -11.614 -6.541 1.00 64.23 N ATOM 902 CA ASP A 58 -2.089 -11.175 -7.753 1.00 15.22 C ATOM 903 C ASP A 58 -0.966 -10.177 -7.430 1.00 42.12 C ATOM 904 O ASP A 58 -0.166 -9.828 -8.299 1.00 31.04 O ATOM 905 CB ASP A 58 -3.074 -10.522 -8.723 1.00 4.21 C ATOM 906 CG ASP A 58 -4.237 -11.428 -9.067 1.00 62.51 C ATOM 907 OD1 ASP A 58 -5.146 -11.565 -8.227 1.00 75.00 O ATOM 908 OD2 ASP A 58 -4.250 -11.996 -10.181 1.00 54.43 O ATOM 0 H ASP A 58 -3.711 -11.180 -6.411 1.00 64.23 H new ATOM 0 HA ASP A 58 -1.641 -12.059 -8.207 1.00 15.22 H new ATOM 0 HB2 ASP A 58 -3.454 -9.600 -8.284 1.00 4.21 H new ATOM 0 HB3 ASP A 58 -2.549 -10.247 -9.638 1.00 4.21 H new ATOM 913 N ARG A 59 -0.921 -9.720 -6.174 1.00 31.11 N ATOM 914 CA ARG A 59 0.057 -8.717 -5.731 1.00 73.44 C ATOM 915 C ARG A 59 -0.149 -7.370 -6.451 1.00 54.13 C ATOM 916 O ARG A 59 0.765 -6.551 -6.530 1.00 42.24 O ATOM 917 CB ARG A 59 1.494 -9.229 -5.953 1.00 52.51 C ATOM 918 CG ARG A 59 1.808 -10.530 -5.213 1.00 14.55 C ATOM 919 CD ARG A 59 1.701 -10.359 -3.704 1.00 31.53 C ATOM 920 NE ARG A 59 2.037 -11.582 -2.980 1.00 54.11 N ATOM 921 CZ ARG A 59 3.076 -11.710 -2.203 1.00 2.31 C ATOM 922 NH1 ARG A 59 3.898 -10.725 -2.037 1.00 45.41 N ATOM 923 NH2 ARG A 59 3.287 -12.824 -1.587 1.00 42.34 N ATOM 0 H ARG A 59 -1.556 -10.032 -5.439 1.00 31.11 H new ATOM 0 HA ARG A 59 -0.098 -8.553 -4.665 1.00 73.44 H new ATOM 0 HB2 ARG A 59 1.654 -9.381 -7.020 1.00 52.51 H new ATOM 0 HB3 ARG A 59 2.197 -8.461 -5.632 1.00 52.51 H new ATOM 0 HG2 ARG A 59 1.121 -11.310 -5.541 1.00 14.55 H new ATOM 0 HG3 ARG A 59 2.814 -10.862 -5.471 1.00 14.55 H new ATOM 0 HD2 ARG A 59 2.365 -9.556 -3.384 1.00 31.53 H new ATOM 0 HD3 ARG A 59 0.687 -10.055 -3.447 1.00 31.53 H new ATOM 0 HE ARG A 59 1.420 -12.387 -3.089 1.00 54.11 H new ATOM 0 HH11 ARG A 59 3.736 -9.839 -2.516 1.00 45.41 H new ATOM 0 HH12 ARG A 59 4.708 -10.834 -1.427 1.00 45.41 H new ATOM 0 HH21 ARG A 59 2.641 -13.604 -1.708 1.00 42.34 H new ATOM 0 HH22 ARG A 59 4.100 -12.925 -0.979 1.00 42.34 H new ATOM 937 N LYS A 60 -1.366 -7.136 -6.943 1.00 11.12 N ATOM 938 CA LYS A 60 -1.681 -5.909 -7.692 1.00 44.02 C ATOM 939 C LYS A 60 -2.063 -4.735 -6.766 1.00 51.45 C ATOM 940 O LYS A 60 -1.650 -3.598 -6.997 1.00 34.03 O ATOM 941 CB LYS A 60 -2.810 -6.170 -8.708 1.00 53.22 C ATOM 942 CG LYS A 60 -4.082 -6.762 -8.101 1.00 34.14 C ATOM 943 CD LYS A 60 -5.189 -6.933 -9.144 1.00 64.15 C ATOM 944 CE LYS A 60 -4.748 -7.814 -10.310 1.00 14.25 C ATOM 945 NZ LYS A 60 -5.836 -8.019 -11.301 1.00 71.35 N ATOM 0 H LYS A 60 -2.153 -7.777 -6.839 1.00 11.12 H new ATOM 0 HA LYS A 60 -0.774 -5.622 -8.224 1.00 44.02 H new ATOM 0 HB2 LYS A 60 -3.061 -5.232 -9.203 1.00 53.22 H new ATOM 0 HB3 LYS A 60 -2.440 -6.847 -9.478 1.00 53.22 H new ATOM 0 HG2 LYS A 60 -3.854 -7.729 -7.653 1.00 34.14 H new ATOM 0 HG3 LYS A 60 -4.436 -6.114 -7.299 1.00 34.14 H new ATOM 0 HD2 LYS A 60 -6.068 -7.372 -8.671 1.00 64.15 H new ATOM 0 HD3 LYS A 60 -5.485 -5.954 -9.521 1.00 64.15 H new ATOM 0 HE2 LYS A 60 -3.890 -7.358 -10.804 1.00 14.25 H new ATOM 0 HE3 LYS A 60 -4.419 -8.781 -9.929 1.00 14.25 H new ATOM 0 HZ1 LYS A 60 -5.492 -8.623 -12.075 1.00 71.35 H new ATOM 0 HZ2 LYS A 60 -6.646 -8.478 -10.837 1.00 71.35 H new ATOM 0 HZ3 LYS A 60 -6.133 -7.100 -11.686 1.00 71.35 H new ATOM 959 N GLN A 61 -2.848 -5.006 -5.722 1.00 43.31 N ATOM 960 CA GLN A 61 -3.300 -3.947 -4.802 1.00 43.43 C ATOM 961 C GLN A 61 -3.010 -4.281 -3.328 1.00 5.13 C ATOM 962 O GLN A 61 -2.905 -5.450 -2.945 1.00 75.44 O ATOM 963 CB GLN A 61 -4.801 -3.680 -4.990 1.00 35.44 C ATOM 964 CG GLN A 61 -5.151 -3.077 -6.347 1.00 24.35 C ATOM 965 CD GLN A 61 -6.632 -2.764 -6.505 1.00 75.22 C ATOM 966 OE1 GLN A 61 -7.174 -2.820 -7.601 1.00 5.13 O ATOM 967 NE2 GLN A 61 -7.300 -2.428 -5.416 1.00 23.33 N ATOM 0 H GLN A 61 -3.185 -5.940 -5.489 1.00 43.31 H new ATOM 0 HA GLN A 61 -2.733 -3.050 -5.051 1.00 43.43 H new ATOM 0 HB2 GLN A 61 -5.346 -4.616 -4.867 1.00 35.44 H new ATOM 0 HB3 GLN A 61 -5.143 -3.007 -4.204 1.00 35.44 H new ATOM 0 HG2 GLN A 61 -4.577 -2.162 -6.489 1.00 24.35 H new ATOM 0 HG3 GLN A 61 -4.847 -3.769 -7.133 1.00 24.35 H new ATOM 0 HE21 GLN A 61 -6.822 -2.390 -4.516 1.00 23.33 H new ATOM 0 HE22 GLN A 61 -8.294 -2.207 -5.475 1.00 23.33 H new ATOM 976 N VAL A 62 -2.889 -3.226 -2.521 1.00 24.42 N ATOM 977 CA VAL A 62 -2.620 -3.334 -1.081 1.00 61.45 C ATOM 978 C VAL A 62 -3.708 -2.608 -0.269 1.00 62.31 C ATOM 979 O VAL A 62 -4.211 -1.569 -0.689 1.00 42.41 O ATOM 980 CB VAL A 62 -1.239 -2.712 -0.725 1.00 14.12 C ATOM 981 CG1 VAL A 62 -0.949 -2.819 0.772 1.00 24.31 C ATOM 982 CG2 VAL A 62 -0.118 -3.361 -1.536 1.00 62.52 C ATOM 0 H VAL A 62 -2.975 -2.264 -2.848 1.00 24.42 H new ATOM 0 HA VAL A 62 -2.617 -4.395 -0.829 1.00 61.45 H new ATOM 0 HB VAL A 62 -1.281 -1.654 -0.985 1.00 14.12 H new ATOM 0 HG11 VAL A 62 0.023 -2.375 0.987 1.00 24.31 H new ATOM 0 HG12 VAL A 62 -1.721 -2.290 1.331 1.00 24.31 H new ATOM 0 HG13 VAL A 62 -0.942 -3.868 1.067 1.00 24.31 H new ATOM 0 HG21 VAL A 62 0.836 -2.907 -1.267 1.00 62.52 H new ATOM 0 HG22 VAL A 62 -0.085 -4.429 -1.321 1.00 62.52 H new ATOM 0 HG23 VAL A 62 -0.304 -3.210 -2.599 1.00 62.52 H new ATOM 992 N PHE A 63 -4.069 -3.156 0.887 1.00 22.23 N ATOM 993 CA PHE A 63 -5.044 -2.516 1.784 1.00 45.41 C ATOM 994 C PHE A 63 -4.390 -2.105 3.112 1.00 73.22 C ATOM 995 O PHE A 63 -3.404 -2.706 3.546 1.00 65.34 O ATOM 996 CB PHE A 63 -6.236 -3.446 2.052 1.00 65.12 C ATOM 997 CG PHE A 63 -7.146 -3.626 0.859 1.00 11.24 C ATOM 998 CD1 PHE A 63 -6.887 -4.603 -0.092 1.00 62.54 C ATOM 999 CD2 PHE A 63 -8.263 -2.817 0.694 1.00 5.34 C ATOM 1000 CE1 PHE A 63 -7.723 -4.767 -1.181 1.00 52.32 C ATOM 1001 CE2 PHE A 63 -9.101 -2.980 -0.391 1.00 1.44 C ATOM 1002 CZ PHE A 63 -8.832 -3.956 -1.332 1.00 23.15 C ATOM 0 H PHE A 63 -3.704 -4.044 1.231 1.00 22.23 H new ATOM 0 HA PHE A 63 -5.407 -1.617 1.285 1.00 45.41 H new ATOM 0 HB2 PHE A 63 -5.862 -4.421 2.363 1.00 65.12 H new ATOM 0 HB3 PHE A 63 -6.817 -3.047 2.884 1.00 65.12 H new ATOM 0 HD1 PHE A 63 -6.023 -5.242 0.020 1.00 62.54 H new ATOM 0 HD2 PHE A 63 -8.479 -2.051 1.424 1.00 5.34 H new ATOM 0 HE1 PHE A 63 -7.509 -5.530 -1.915 1.00 52.32 H new ATOM 0 HE2 PHE A 63 -9.967 -2.345 -0.505 1.00 1.44 H new ATOM 0 HZ PHE A 63 -9.486 -4.084 -2.182 1.00 23.15 H new ATOM 1012 N ARG A 64 -4.954 -1.091 3.756 1.00 33.32 N ATOM 1013 CA ARG A 64 -4.381 -0.523 4.984 1.00 32.55 C ATOM 1014 C ARG A 64 -4.926 -1.212 6.249 1.00 14.44 C ATOM 1015 O ARG A 64 -6.103 -1.540 6.327 1.00 12.32 O ATOM 1016 CB ARG A 64 -4.686 0.982 5.041 1.00 64.12 C ATOM 1017 CG ARG A 64 -4.190 1.675 6.310 1.00 2.34 C ATOM 1018 CD ARG A 64 -4.603 3.144 6.355 1.00 3.12 C ATOM 1019 NE ARG A 64 -4.149 3.807 7.577 1.00 60.01 N ATOM 1020 CZ ARG A 64 -4.632 4.935 8.024 1.00 3.43 C ATOM 1021 NH1 ARG A 64 -5.607 5.526 7.409 1.00 2.32 N ATOM 1022 NH2 ARG A 64 -4.159 5.458 9.107 1.00 35.43 N ATOM 0 H ARG A 64 -5.815 -0.637 3.450 1.00 33.32 H new ATOM 0 HA ARG A 64 -3.304 -0.689 4.958 1.00 32.55 H new ATOM 0 HB2 ARG A 64 -4.233 1.466 4.176 1.00 64.12 H new ATOM 0 HB3 ARG A 64 -5.763 1.126 4.959 1.00 64.12 H new ATOM 0 HG2 ARG A 64 -4.587 1.159 7.184 1.00 2.34 H new ATOM 0 HG3 ARG A 64 -3.104 1.601 6.363 1.00 2.34 H new ATOM 0 HD2 ARG A 64 -4.192 3.662 5.488 1.00 3.12 H new ATOM 0 HD3 ARG A 64 -5.688 3.217 6.285 1.00 3.12 H new ATOM 0 HE ARG A 64 -3.407 3.359 8.115 1.00 60.01 H new ATOM 0 HH11 ARG A 64 -6.005 5.111 6.567 1.00 2.32 H new ATOM 0 HH12 ARG A 64 -5.977 6.407 7.767 1.00 2.32 H new ATOM 0 HH21 ARG A 64 -3.408 4.990 9.614 1.00 35.43 H new ATOM 0 HH22 ARG A 64 -4.537 6.339 9.455 1.00 35.43 H new ATOM 1036 N ILE A 65 -4.062 -1.435 7.237 1.00 24.21 N ATOM 1037 CA ILE A 65 -4.502 -1.881 8.564 1.00 35.24 C ATOM 1038 C ILE A 65 -4.167 -0.807 9.605 1.00 73.04 C ATOM 1039 O ILE A 65 -3.016 -0.376 9.716 1.00 14.32 O ATOM 1040 CB ILE A 65 -3.848 -3.224 8.981 1.00 43.23 C ATOM 1041 CG1 ILE A 65 -4.119 -4.307 7.924 1.00 61.30 C ATOM 1042 CG2 ILE A 65 -4.366 -3.672 10.352 1.00 74.54 C ATOM 1043 CD1 ILE A 65 -3.473 -5.642 8.234 1.00 45.24 C ATOM 0 H ILE A 65 -3.053 -1.315 7.147 1.00 24.21 H new ATOM 0 HA ILE A 65 -5.579 -2.040 8.514 1.00 35.24 H new ATOM 0 HB ILE A 65 -2.771 -3.073 9.052 1.00 43.23 H new ATOM 0 HG12 ILE A 65 -5.196 -4.448 7.831 1.00 61.30 H new ATOM 0 HG13 ILE A 65 -3.759 -3.956 6.957 1.00 61.30 H new ATOM 0 HG21 ILE A 65 -3.896 -4.616 10.628 1.00 74.54 H new ATOM 0 HG22 ILE A 65 -4.124 -2.915 11.098 1.00 74.54 H new ATOM 0 HG23 ILE A 65 -5.447 -3.804 10.307 1.00 74.54 H new ATOM 0 HD11 ILE A 65 -3.710 -6.353 7.443 1.00 45.24 H new ATOM 0 HD12 ILE A 65 -2.392 -5.517 8.298 1.00 45.24 H new ATOM 0 HD13 ILE A 65 -3.852 -6.017 9.185 1.00 45.24 H new ATOM 1055 N GLU A 66 -5.169 -0.364 10.354 1.00 45.42 N ATOM 1056 CA GLU A 66 -4.973 0.719 11.322 1.00 33.20 C ATOM 1057 C GLU A 66 -5.598 0.380 12.683 1.00 71.44 C ATOM 1058 O GLU A 66 -6.728 -0.114 12.751 1.00 14.32 O ATOM 1059 CB GLU A 66 -5.551 2.030 10.765 1.00 70.43 C ATOM 1060 CG GLU A 66 -5.267 3.249 11.635 1.00 72.23 C ATOM 1061 CD GLU A 66 -3.779 3.439 11.928 1.00 0.51 C ATOM 1062 OE1 GLU A 66 -3.061 3.996 11.069 1.00 64.35 O ATOM 1063 OE2 GLU A 66 -3.316 3.008 13.007 1.00 3.12 O ATOM 0 H GLU A 66 -6.120 -0.731 10.314 1.00 45.42 H new ATOM 0 HA GLU A 66 -3.902 0.844 11.481 1.00 33.20 H new ATOM 0 HB2 GLU A 66 -5.141 2.203 9.770 1.00 70.43 H new ATOM 0 HB3 GLU A 66 -6.629 1.921 10.651 1.00 70.43 H new ATOM 0 HG2 GLU A 66 -5.651 4.140 11.139 1.00 72.23 H new ATOM 0 HG3 GLU A 66 -5.808 3.151 12.576 1.00 72.23 H new ATOM 1070 N ASP A 67 -4.833 0.634 13.761 1.00 51.30 N ATOM 1071 CA ASP A 67 -5.244 0.330 15.147 1.00 1.34 C ATOM 1072 C ASP A 67 -5.221 -1.185 15.435 1.00 14.23 C ATOM 1073 O ASP A 67 -4.627 -1.638 16.416 1.00 34.22 O ATOM 1074 CB ASP A 67 -6.645 0.898 15.438 1.00 4.01 C ATOM 1075 CG ASP A 67 -7.069 0.702 16.882 1.00 3.12 C ATOM 1076 OD1 ASP A 67 -6.632 1.490 17.744 1.00 14.33 O ATOM 1077 OD2 ASP A 67 -7.833 -0.249 17.164 1.00 24.32 O ATOM 0 H ASP A 67 -3.908 1.058 13.696 1.00 51.30 H new ATOM 0 HA ASP A 67 -4.520 0.808 15.807 1.00 1.34 H new ATOM 0 HB2 ASP A 67 -6.657 1.962 15.201 1.00 4.01 H new ATOM 0 HB3 ASP A 67 -7.371 0.417 14.782 1.00 4.01 H new ATOM 1082 N SER A 68 -5.846 -1.943 14.542 1.00 51.31 N ATOM 1083 CA SER A 68 -6.111 -3.378 14.719 1.00 64.13 C ATOM 1084 C SER A 68 -7.137 -3.841 13.675 1.00 24.32 C ATOM 1085 O SER A 68 -7.259 -5.030 13.375 1.00 5.14 O ATOM 1086 CB SER A 68 -6.663 -3.669 16.124 1.00 21.02 C ATOM 1087 OG SER A 68 -6.881 -5.058 16.326 1.00 65.41 O ATOM 0 H SER A 68 -6.192 -1.577 13.655 1.00 51.31 H new ATOM 0 HA SER A 68 -5.172 -3.916 14.593 1.00 64.13 H new ATOM 0 HB2 SER A 68 -5.964 -3.298 16.874 1.00 21.02 H new ATOM 0 HB3 SER A 68 -7.599 -3.129 16.266 1.00 21.02 H new ATOM 0 HG SER A 68 -7.230 -5.206 17.230 1.00 65.41 H new ATOM 1093 N ILE A 69 -7.887 -2.878 13.137 1.00 1.21 N ATOM 1094 CA ILE A 69 -8.915 -3.141 12.133 1.00 70.22 C ATOM 1095 C ILE A 69 -8.332 -3.085 10.708 1.00 50.23 C ATOM 1096 O ILE A 69 -7.761 -2.065 10.307 1.00 32.25 O ATOM 1097 CB ILE A 69 -10.060 -2.098 12.242 1.00 32.50 C ATOM 1098 CG1 ILE A 69 -10.526 -1.952 13.702 1.00 65.31 C ATOM 1099 CG2 ILE A 69 -11.232 -2.479 11.338 1.00 74.02 C ATOM 1100 CD1 ILE A 69 -11.033 -3.234 14.327 1.00 10.40 C ATOM 0 H ILE A 69 -7.797 -1.893 13.387 1.00 1.21 H new ATOM 0 HA ILE A 69 -9.303 -4.142 12.322 1.00 70.22 H new ATOM 0 HB ILE A 69 -9.673 -1.135 11.908 1.00 32.50 H new ATOM 0 HG12 ILE A 69 -9.696 -1.574 14.299 1.00 65.31 H new ATOM 0 HG13 ILE A 69 -11.317 -1.203 13.745 1.00 65.31 H new ATOM 0 HG21 ILE A 69 -12.021 -1.733 11.432 1.00 74.02 H new ATOM 0 HG22 ILE A 69 -10.894 -2.521 10.303 1.00 74.02 H new ATOM 0 HG23 ILE A 69 -11.618 -3.455 11.634 1.00 74.02 H new ATOM 0 HD11 ILE A 69 -11.340 -3.041 15.355 1.00 10.40 H new ATOM 0 HD12 ILE A 69 -11.885 -3.605 13.757 1.00 10.40 H new ATOM 0 HD13 ILE A 69 -10.239 -3.981 14.320 1.00 10.40 H new ATOM 1112 N PRO A 70 -8.446 -4.179 9.928 1.00 34.14 N ATOM 1113 CA PRO A 70 -8.065 -4.165 8.508 1.00 50.22 C ATOM 1114 C PRO A 70 -8.975 -3.236 7.686 1.00 73.34 C ATOM 1115 O PRO A 70 -10.129 -3.568 7.396 1.00 13.22 O ATOM 1116 CB PRO A 70 -8.220 -5.634 8.073 1.00 74.53 C ATOM 1117 CG PRO A 70 -9.162 -6.232 9.062 1.00 22.31 C ATOM 1118 CD PRO A 70 -8.923 -5.506 10.360 1.00 42.02 C ATOM 0 HA PRO A 70 -7.056 -3.784 8.350 1.00 50.22 H new ATOM 0 HB2 PRO A 70 -8.614 -5.706 7.059 1.00 74.53 H new ATOM 0 HB3 PRO A 70 -7.260 -6.151 8.079 1.00 74.53 H new ATOM 0 HG2 PRO A 70 -10.195 -6.116 8.735 1.00 22.31 H new ATOM 0 HG3 PRO A 70 -8.982 -7.301 9.175 1.00 22.31 H new ATOM 0 HD2 PRO A 70 -9.835 -5.432 10.952 1.00 42.02 H new ATOM 0 HD3 PRO A 70 -8.184 -6.018 10.976 1.00 42.02 H new ATOM 1126 N VAL A 71 -8.459 -2.059 7.343 1.00 3.35 N ATOM 1127 CA VAL A 71 -9.230 -1.049 6.613 1.00 11.44 C ATOM 1128 C VAL A 71 -9.410 -1.451 5.135 1.00 13.41 C ATOM 1129 O VAL A 71 -8.536 -1.220 4.297 1.00 34.11 O ATOM 1130 CB VAL A 71 -8.552 0.349 6.709 1.00 12.52 C ATOM 1131 CG1 VAL A 71 -9.436 1.426 6.082 1.00 33.12 C ATOM 1132 CG2 VAL A 71 -8.205 0.693 8.165 1.00 54.40 C ATOM 0 H VAL A 71 -7.503 -1.777 7.560 1.00 3.35 H new ATOM 0 HA VAL A 71 -10.214 -0.989 7.077 1.00 11.44 H new ATOM 0 HB VAL A 71 -7.619 0.313 6.146 1.00 12.52 H new ATOM 0 HG11 VAL A 71 -8.941 2.394 6.161 1.00 33.12 H new ATOM 0 HG12 VAL A 71 -9.607 1.190 5.032 1.00 33.12 H new ATOM 0 HG13 VAL A 71 -10.391 1.463 6.606 1.00 33.12 H new ATOM 0 HG21 VAL A 71 -7.733 1.674 8.204 1.00 54.40 H new ATOM 0 HG22 VAL A 71 -9.116 0.705 8.763 1.00 54.40 H new ATOM 0 HG23 VAL A 71 -7.520 -0.056 8.562 1.00 54.40 H new ATOM 1142 N LEU A 72 -10.550 -2.072 4.831 1.00 23.44 N ATOM 1143 CA LEU A 72 -10.838 -2.582 3.479 1.00 13.01 C ATOM 1144 C LEU A 72 -11.512 -1.521 2.591 1.00 73.23 C ATOM 1145 O LEU A 72 -12.114 -1.844 1.563 1.00 73.32 O ATOM 1146 CB LEU A 72 -11.737 -3.824 3.573 1.00 63.31 C ATOM 1147 CG LEU A 72 -11.150 -5.006 4.365 1.00 33.15 C ATOM 1148 CD1 LEU A 72 -12.122 -6.186 4.380 1.00 65.14 C ATOM 1149 CD2 LEU A 72 -9.800 -5.425 3.784 1.00 24.21 C ATOM 0 H LEU A 72 -11.298 -2.238 5.505 1.00 23.44 H new ATOM 0 HA LEU A 72 -9.886 -2.843 3.017 1.00 13.01 H new ATOM 0 HB2 LEU A 72 -12.682 -3.534 4.033 1.00 63.31 H new ATOM 0 HB3 LEU A 72 -11.966 -4.163 2.563 1.00 63.31 H new ATOM 0 HG LEU A 72 -10.994 -4.683 5.394 1.00 33.15 H new ATOM 0 HD11 LEU A 72 -11.686 -7.010 4.945 1.00 65.14 H new ATOM 0 HD12 LEU A 72 -13.058 -5.880 4.848 1.00 65.14 H new ATOM 0 HD13 LEU A 72 -12.316 -6.510 3.358 1.00 65.14 H new ATOM 0 HD21 LEU A 72 -9.401 -6.262 4.357 1.00 24.21 H new ATOM 0 HD22 LEU A 72 -9.929 -5.726 2.744 1.00 24.21 H new ATOM 0 HD23 LEU A 72 -9.106 -4.586 3.835 1.00 24.21 H new ATOM 1161 N LEU A 73 -11.409 -0.255 2.986 1.00 63.02 N ATOM 1162 CA LEU A 73 -11.988 0.849 2.208 1.00 51.04 C ATOM 1163 C LEU A 73 -11.263 1.029 0.861 1.00 61.00 C ATOM 1164 O LEU A 73 -10.035 1.067 0.813 1.00 3.12 O ATOM 1165 CB LEU A 73 -11.926 2.157 3.008 1.00 65.23 C ATOM 1166 CG LEU A 73 -12.753 2.173 4.304 1.00 15.31 C ATOM 1167 CD1 LEU A 73 -12.575 3.498 5.044 1.00 62.20 C ATOM 1168 CD2 LEU A 73 -14.230 1.914 4.009 1.00 60.41 C ATOM 0 H LEU A 73 -10.931 0.037 3.839 1.00 63.02 H new ATOM 0 HA LEU A 73 -13.029 0.598 2.005 1.00 51.04 H new ATOM 0 HB2 LEU A 73 -10.885 2.362 3.258 1.00 65.23 H new ATOM 0 HB3 LEU A 73 -12.267 2.971 2.369 1.00 65.23 H new ATOM 0 HG LEU A 73 -12.389 1.372 4.947 1.00 15.31 H new ATOM 0 HD11 LEU A 73 -13.169 3.487 5.958 1.00 62.20 H new ATOM 0 HD12 LEU A 73 -11.524 3.635 5.296 1.00 62.20 H new ATOM 0 HD13 LEU A 73 -12.905 4.318 4.406 1.00 62.20 H new ATOM 0 HD21 LEU A 73 -14.795 1.930 4.941 1.00 60.41 H new ATOM 0 HD22 LEU A 73 -14.609 2.688 3.341 1.00 60.41 H new ATOM 0 HD23 LEU A 73 -14.341 0.939 3.534 1.00 60.41 H new ATOM 1180 N PRO A 74 -12.017 1.156 -0.252 1.00 74.14 N ATOM 1181 CA PRO A 74 -11.431 1.351 -1.594 1.00 72.31 C ATOM 1182 C PRO A 74 -10.461 2.540 -1.648 1.00 75.24 C ATOM 1183 O PRO A 74 -9.392 2.466 -2.258 1.00 60.53 O ATOM 1184 CB PRO A 74 -12.656 1.620 -2.483 1.00 1.12 C ATOM 1185 CG PRO A 74 -13.797 0.986 -1.762 1.00 61.03 C ATOM 1186 CD PRO A 74 -13.492 1.116 -0.294 1.00 64.31 C ATOM 0 HA PRO A 74 -10.839 0.490 -1.905 1.00 72.31 H new ATOM 0 HB2 PRO A 74 -12.819 2.689 -2.619 1.00 1.12 H new ATOM 0 HB3 PRO A 74 -12.527 1.189 -3.476 1.00 1.12 H new ATOM 0 HG2 PRO A 74 -14.736 1.480 -2.009 1.00 61.03 H new ATOM 0 HG3 PRO A 74 -13.903 -0.061 -2.046 1.00 61.03 H new ATOM 0 HD2 PRO A 74 -13.930 2.020 0.129 1.00 64.31 H new ATOM 0 HD3 PRO A 74 -13.887 0.274 0.274 1.00 64.31 H new ATOM 1194 N GLU A 75 -10.846 3.632 -0.994 1.00 53.40 N ATOM 1195 CA GLU A 75 -10.022 4.848 -0.940 1.00 10.42 C ATOM 1196 C GLU A 75 -8.719 4.634 -0.139 1.00 53.44 C ATOM 1197 O GLU A 75 -7.798 5.447 -0.208 1.00 30.33 O ATOM 1198 CB GLU A 75 -10.831 5.999 -0.327 1.00 21.32 C ATOM 1199 CG GLU A 75 -11.222 5.772 1.131 1.00 21.11 C ATOM 1200 CD GLU A 75 -12.069 6.901 1.693 1.00 73.11 C ATOM 1201 OE1 GLU A 75 -11.533 8.015 1.878 1.00 11.14 O ATOM 1202 OE2 GLU A 75 -13.276 6.683 1.941 1.00 42.15 O ATOM 0 H GLU A 75 -11.729 3.705 -0.489 1.00 53.40 H new ATOM 0 HA GLU A 75 -9.739 5.098 -1.962 1.00 10.42 H new ATOM 0 HB2 GLU A 75 -10.249 6.918 -0.398 1.00 21.32 H new ATOM 0 HB3 GLU A 75 -11.736 6.149 -0.917 1.00 21.32 H new ATOM 0 HG2 GLU A 75 -11.772 4.835 1.214 1.00 21.11 H new ATOM 0 HG3 GLU A 75 -10.319 5.666 1.733 1.00 21.11 H new ATOM 1209 N GLU A 76 -8.660 3.546 0.625 1.00 53.12 N ATOM 1210 CA GLU A 76 -7.470 3.193 1.417 1.00 60.11 C ATOM 1211 C GLU A 76 -6.664 2.069 0.742 1.00 12.14 C ATOM 1212 O GLU A 76 -5.745 1.505 1.335 1.00 22.15 O ATOM 1213 CB GLU A 76 -7.902 2.762 2.830 1.00 54.34 C ATOM 1214 CG GLU A 76 -8.516 3.888 3.666 1.00 33.04 C ATOM 1215 CD GLU A 76 -7.479 4.711 4.427 1.00 51.13 C ATOM 1216 OE1 GLU A 76 -6.689 5.434 3.787 1.00 73.34 O ATOM 1217 OE2 GLU A 76 -7.456 4.640 5.673 1.00 62.20 O ATOM 0 H GLU A 76 -9.429 2.882 0.717 1.00 53.12 H new ATOM 0 HA GLU A 76 -6.827 4.070 1.484 1.00 60.11 H new ATOM 0 HB2 GLU A 76 -8.625 1.951 2.746 1.00 54.34 H new ATOM 0 HB3 GLU A 76 -7.036 2.363 3.358 1.00 54.34 H new ATOM 0 HG2 GLU A 76 -9.084 4.549 3.011 1.00 33.04 H new ATOM 0 HG3 GLU A 76 -9.222 3.459 4.377 1.00 33.04 H new ATOM 1224 N ALA A 77 -7.020 1.750 -0.504 1.00 75.25 N ATOM 1225 CA ALA A 77 -6.330 0.710 -1.275 1.00 60.42 C ATOM 1226 C ALA A 77 -5.248 1.306 -2.194 1.00 72.20 C ATOM 1227 O ALA A 77 -5.526 2.179 -3.017 1.00 42.54 O ATOM 1228 CB ALA A 77 -7.341 -0.090 -2.092 1.00 12.33 C ATOM 0 H ALA A 77 -7.787 2.199 -1.004 1.00 75.25 H new ATOM 0 HA ALA A 77 -5.830 0.045 -0.570 1.00 60.42 H new ATOM 0 HB1 ALA A 77 -6.821 -0.860 -2.662 1.00 12.33 H new ATOM 0 HB2 ALA A 77 -8.061 -0.559 -1.421 1.00 12.33 H new ATOM 0 HB3 ALA A 77 -7.864 0.577 -2.777 1.00 12.33 H new ATOM 1234 N ILE A 78 -4.017 0.822 -2.049 1.00 61.24 N ATOM 1235 CA ILE A 78 -2.883 1.300 -2.845 1.00 54.31 C ATOM 1236 C ILE A 78 -2.608 0.373 -4.048 1.00 44.43 C ATOM 1237 O ILE A 78 -2.706 -0.848 -3.939 1.00 24.14 O ATOM 1238 CB ILE A 78 -1.587 1.401 -1.986 1.00 44.40 C ATOM 1239 CG1 ILE A 78 -1.767 2.367 -0.794 1.00 71.32 C ATOM 1240 CG2 ILE A 78 -0.402 1.835 -2.845 1.00 31.13 C ATOM 1241 CD1 ILE A 78 -2.612 1.817 0.339 1.00 2.12 C ATOM 0 H ILE A 78 -3.775 0.091 -1.380 1.00 61.24 H new ATOM 0 HA ILE A 78 -3.155 2.291 -3.207 1.00 54.31 H new ATOM 0 HB ILE A 78 -1.385 0.408 -1.584 1.00 44.40 H new ATOM 0 HG12 ILE A 78 -0.784 2.629 -0.403 1.00 71.32 H new ATOM 0 HG13 ILE A 78 -2.222 3.289 -1.155 1.00 71.32 H new ATOM 0 HG21 ILE A 78 0.492 1.899 -2.225 1.00 31.13 H new ATOM 0 HG22 ILE A 78 -0.242 1.106 -3.639 1.00 31.13 H new ATOM 0 HG23 ILE A 78 -0.609 2.811 -3.285 1.00 31.13 H new ATOM 0 HD11 ILE A 78 -2.685 2.561 1.132 1.00 2.12 H new ATOM 0 HD12 ILE A 78 -3.610 1.582 -0.032 1.00 2.12 H new ATOM 0 HD13 ILE A 78 -2.149 0.912 0.732 1.00 2.12 H new ATOM 1253 N ALA A 79 -2.263 0.959 -5.194 1.00 22.10 N ATOM 1254 CA ALA A 79 -1.920 0.180 -6.393 1.00 25.20 C ATOM 1255 C ALA A 79 -0.399 -0.039 -6.501 1.00 75.35 C ATOM 1256 O ALA A 79 0.366 0.917 -6.639 1.00 54.31 O ATOM 1257 CB ALA A 79 -2.445 0.885 -7.642 1.00 30.55 C ATOM 0 H ALA A 79 -2.212 1.970 -5.322 1.00 22.10 H new ATOM 0 HA ALA A 79 -2.393 -0.799 -6.309 1.00 25.20 H new ATOM 0 HB1 ALA A 79 -2.186 0.301 -8.525 1.00 30.55 H new ATOM 0 HB2 ALA A 79 -3.529 0.983 -7.576 1.00 30.55 H new ATOM 0 HB3 ALA A 79 -1.995 1.875 -7.717 1.00 30.55 H new ATOM 1263 N THR A 80 0.033 -1.302 -6.459 1.00 22.42 N ATOM 1264 CA THR A 80 1.471 -1.636 -6.482 1.00 23.20 C ATOM 1265 C THR A 80 2.143 -1.208 -7.793 1.00 54.31 C ATOM 1266 O THR A 80 3.348 -0.952 -7.829 1.00 1.10 O ATOM 1267 CB THR A 80 1.714 -3.150 -6.287 1.00 64.31 C ATOM 1268 OG1 THR A 80 1.196 -3.880 -7.408 1.00 65.11 O ATOM 1269 CG2 THR A 80 1.060 -3.648 -5.002 1.00 24.31 C ATOM 0 H THR A 80 -0.585 -2.112 -6.409 1.00 22.42 H new ATOM 0 HA THR A 80 1.912 -1.084 -5.652 1.00 23.20 H new ATOM 0 HB THR A 80 2.789 -3.314 -6.213 1.00 64.31 H new ATOM 0 HG1 THR A 80 1.019 -4.806 -7.142 1.00 65.11 H new ATOM 0 HG21 THR A 80 1.246 -4.716 -4.889 1.00 24.31 H new ATOM 0 HG22 THR A 80 1.480 -3.114 -4.149 1.00 24.31 H new ATOM 0 HG23 THR A 80 -0.014 -3.470 -5.048 1.00 24.31 H new ATOM 1277 N ILE A 81 1.353 -1.119 -8.863 1.00 53.53 N ATOM 1278 CA ILE A 81 1.849 -0.669 -10.169 1.00 61.00 C ATOM 1279 C ILE A 81 2.400 0.772 -10.100 1.00 61.02 C ATOM 1280 O ILE A 81 3.176 1.197 -10.956 1.00 22.24 O ATOM 1281 CB ILE A 81 0.727 -0.755 -11.243 1.00 4.53 C ATOM 1282 CG1 ILE A 81 1.264 -0.401 -12.642 1.00 21.01 C ATOM 1283 CG2 ILE A 81 -0.449 0.147 -10.872 1.00 13.45 C ATOM 1284 CD1 ILE A 81 2.341 -1.343 -13.146 1.00 72.02 C ATOM 0 H ILE A 81 0.360 -1.354 -8.853 1.00 53.53 H new ATOM 0 HA ILE A 81 2.666 -1.333 -10.453 1.00 61.00 H new ATOM 0 HB ILE A 81 0.373 -1.786 -11.272 1.00 4.53 H new ATOM 0 HG12 ILE A 81 0.435 -0.402 -13.349 1.00 21.01 H new ATOM 0 HG13 ILE A 81 1.663 0.613 -12.621 1.00 21.01 H new ATOM 0 HG21 ILE A 81 -1.222 0.071 -11.637 1.00 13.45 H new ATOM 0 HG22 ILE A 81 -0.858 -0.165 -9.911 1.00 13.45 H new ATOM 0 HG23 ILE A 81 -0.108 1.180 -10.803 1.00 13.45 H new ATOM 0 HD11 ILE A 81 2.667 -1.026 -14.137 1.00 72.02 H new ATOM 0 HD12 ILE A 81 3.189 -1.325 -12.462 1.00 72.02 H new ATOM 0 HD13 ILE A 81 1.942 -2.356 -13.202 1.00 72.02 H new ATOM 1296 N GLN A 82 1.990 1.516 -9.072 1.00 23.30 N ATOM 1297 CA GLN A 82 2.484 2.884 -8.852 1.00 21.34 C ATOM 1298 C GLN A 82 3.708 2.895 -7.918 1.00 53.24 C ATOM 1299 O GLN A 82 4.451 3.876 -7.860 1.00 63.12 O ATOM 1300 CB GLN A 82 1.372 3.760 -8.255 1.00 62.05 C ATOM 1301 CG GLN A 82 0.116 3.849 -9.117 1.00 61.54 C ATOM 1302 CD GLN A 82 0.393 4.406 -10.504 1.00 54.50 C ATOM 1303 OE1 GLN A 82 0.355 5.610 -10.724 1.00 25.13 O ATOM 1304 NE2 GLN A 82 0.665 3.534 -11.452 1.00 31.42 N ATOM 0 H GLN A 82 1.316 1.198 -8.375 1.00 23.30 H new ATOM 0 HA GLN A 82 2.786 3.287 -9.819 1.00 21.34 H new ATOM 0 HB2 GLN A 82 1.100 3.365 -7.276 1.00 62.05 H new ATOM 0 HB3 GLN A 82 1.762 4.765 -8.096 1.00 62.05 H new ATOM 0 HG2 GLN A 82 -0.326 2.857 -9.210 1.00 61.54 H new ATOM 0 HG3 GLN A 82 -0.619 4.480 -8.617 1.00 61.54 H new ATOM 0 HE21 GLN A 82 0.689 2.537 -11.237 1.00 31.42 H new ATOM 0 HE22 GLN A 82 0.852 3.855 -12.402 1.00 31.42 H new ATOM 1313 N ILE A 83 3.908 1.798 -7.188 1.00 20.53 N ATOM 1314 CA ILE A 83 5.002 1.699 -6.218 1.00 41.51 C ATOM 1315 C ILE A 83 6.338 1.389 -6.907 1.00 70.15 C ATOM 1316 O ILE A 83 6.676 0.229 -7.141 1.00 22.32 O ATOM 1317 CB ILE A 83 4.711 0.614 -5.146 1.00 20.10 C ATOM 1318 CG1 ILE A 83 3.337 0.852 -4.498 1.00 53.51 C ATOM 1319 CG2 ILE A 83 5.811 0.588 -4.082 1.00 12.12 C ATOM 1320 CD1 ILE A 83 3.193 2.204 -3.831 1.00 75.23 C ATOM 0 H ILE A 83 3.326 0.963 -7.249 1.00 20.53 H new ATOM 0 HA ILE A 83 5.076 2.670 -5.728 1.00 41.51 H new ATOM 0 HB ILE A 83 4.696 -0.357 -5.641 1.00 20.10 H new ATOM 0 HG12 ILE A 83 2.565 0.751 -5.261 1.00 53.51 H new ATOM 0 HG13 ILE A 83 3.157 0.073 -3.758 1.00 53.51 H new ATOM 0 HG21 ILE A 83 5.584 -0.180 -3.343 1.00 12.12 H new ATOM 0 HG22 ILE A 83 6.768 0.366 -4.554 1.00 12.12 H new ATOM 0 HG23 ILE A 83 5.865 1.560 -3.591 1.00 12.12 H new ATOM 0 HD11 ILE A 83 2.196 2.292 -3.399 1.00 75.23 H new ATOM 0 HD12 ILE A 83 3.940 2.302 -3.043 1.00 75.23 H new ATOM 0 HD13 ILE A 83 3.339 2.992 -4.570 1.00 75.23 H new ATOM 1332 N ALA A 84 7.095 2.437 -7.213 1.00 32.02 N ATOM 1333 CA ALA A 84 8.377 2.305 -7.924 1.00 15.00 C ATOM 1334 C ALA A 84 9.428 1.492 -7.138 1.00 62.41 C ATOM 1335 O ALA A 84 10.518 1.236 -7.643 1.00 24.32 O ATOM 1336 CB ALA A 84 8.923 3.689 -8.258 1.00 44.12 C ATOM 0 H ALA A 84 6.846 3.399 -6.980 1.00 32.02 H new ATOM 0 HA ALA A 84 8.178 1.748 -8.839 1.00 15.00 H new ATOM 0 HB1 ALA A 84 9.872 3.588 -8.784 1.00 44.12 H new ATOM 0 HB2 ALA A 84 8.211 4.218 -8.892 1.00 44.12 H new ATOM 0 HB3 ALA A 84 9.077 4.251 -7.337 1.00 44.12 H new ATOM 1342 N ASN A 85 9.102 1.096 -5.906 1.00 72.23 N ATOM 1343 CA ASN A 85 10.034 0.319 -5.073 1.00 1.12 C ATOM 1344 C ASN A 85 9.581 -1.145 -4.907 1.00 31.23 C ATOM 1345 O ASN A 85 10.328 -1.971 -4.383 1.00 61.22 O ATOM 1346 CB ASN A 85 10.179 0.976 -3.691 1.00 60.44 C ATOM 1347 CG ASN A 85 10.591 2.435 -3.784 1.00 70.32 C ATOM 1348 OD1 ASN A 85 11.770 2.756 -3.879 1.00 63.23 O ATOM 1349 ND2 ASN A 85 9.622 3.331 -3.739 1.00 72.42 N ATOM 0 H ASN A 85 8.206 1.297 -5.461 1.00 72.23 H new ATOM 0 HA ASN A 85 10.997 0.313 -5.583 1.00 1.12 H new ATOM 0 HB2 ASN A 85 9.233 0.902 -3.155 1.00 60.44 H new ATOM 0 HB3 ASN A 85 10.919 0.429 -3.107 1.00 60.44 H new ATOM 0 HD21 ASN A 85 9.844 4.325 -3.784 1.00 72.42 H new ATOM 0 HD22 ASN A 85 8.651 3.029 -3.660 1.00 72.42 H new ATOM 1356 N PHE A 86 8.365 -1.462 -5.357 1.00 30.25 N ATOM 1357 CA PHE A 86 7.791 -2.801 -5.177 1.00 5.31 C ATOM 1358 C PHE A 86 8.653 -3.897 -5.840 1.00 0.51 C ATOM 1359 O PHE A 86 8.909 -3.847 -7.043 1.00 1.32 O ATOM 1360 CB PHE A 86 6.369 -2.842 -5.754 1.00 33.41 C ATOM 1361 CG PHE A 86 5.533 -3.957 -5.190 1.00 24.34 C ATOM 1362 CD1 PHE A 86 4.968 -3.826 -3.933 1.00 45.23 C ATOM 1363 CD2 PHE A 86 5.309 -5.128 -5.904 1.00 22.11 C ATOM 1364 CE1 PHE A 86 4.202 -4.843 -3.392 1.00 35.24 C ATOM 1365 CE2 PHE A 86 4.545 -6.149 -5.369 1.00 5.24 C ATOM 1366 CZ PHE A 86 3.986 -6.004 -4.112 1.00 71.52 C ATOM 0 H PHE A 86 7.756 -0.809 -5.850 1.00 30.25 H new ATOM 0 HA PHE A 86 7.764 -3.004 -4.106 1.00 5.31 H new ATOM 0 HB2 PHE A 86 5.876 -1.891 -5.555 1.00 33.41 H new ATOM 0 HB3 PHE A 86 6.426 -2.951 -6.837 1.00 33.41 H new ATOM 0 HD1 PHE A 86 5.127 -2.919 -3.368 1.00 45.23 H new ATOM 0 HD2 PHE A 86 5.737 -5.242 -6.889 1.00 22.11 H new ATOM 0 HE1 PHE A 86 3.773 -4.730 -2.407 1.00 35.24 H new ATOM 0 HE2 PHE A 86 4.385 -7.057 -5.931 1.00 5.24 H new ATOM 0 HZ PHE A 86 3.382 -6.796 -3.694 1.00 71.52 H new