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 Set 1.1: A 39 GLN : amide:sc= 0.0821 K(o=-0.71,f=-0.016) USER MOD Set 1.2: A 82 GLN : amide:sc= -0.797 K(o=-0.71,f=-0.016) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -59:sc= 0.193 USER MOD Single : A 24 LYS NZ :NH3+ -171:sc= -0.0109 (180deg=-0.141) USER MOD Single : A 30 ASN : amide:sc= -0.308 K(o=-0.31,f=-3.3!) USER MOD Single : A 31 LYS NZ :NH3+ -166:sc= -0.0209 (180deg=-0.253) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -31:sc= 0.495 USER MOD Single : A 44 SER OG : rot 180:sc= -0.0456 USER MOD Single : A 46 GLN : amide:sc= -1.11 K(o=-1.1,f=-4.7!) 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= -0.213 X(o=-0.21,f=-0.011) USER MOD Single : A 56 THR OG1 : rot -72:sc= 1.11 USER MOD Single : A 60 LYS NZ :NH3+ 168:sc= -0.0103 (180deg=-0.167) USER MOD Single : A 61 GLN : amide:sc= -0.63 K(o=-0.63,f=0) USER MOD Single : A 68 SER OG : rot -31:sc= 0.993 USER MOD Single : A 80 THR OG1 : rot -67:sc= 0.992 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 289 N LEU A 18 -7.514 -11.887 -0.209 1.00 74.31 N ATOM 290 CA LEU A 18 -6.747 -10.883 0.539 1.00 34.33 C ATOM 291 C LEU A 18 -6.015 -11.521 1.740 1.00 51.11 C ATOM 292 O LEU A 18 -6.590 -12.325 2.474 1.00 51.02 O ATOM 293 CB LEU A 18 -7.718 -9.770 0.998 1.00 60.01 C ATOM 294 CG LEU A 18 -7.099 -8.515 1.649 1.00 53.24 C ATOM 295 CD1 LEU A 18 -6.736 -8.763 3.114 1.00 64.34 C ATOM 296 CD2 LEU A 18 -5.883 -8.038 0.861 1.00 54.44 C ATOM 0 HA LEU A 18 -5.978 -10.454 -0.103 1.00 34.33 H new ATOM 0 HB2 LEU A 18 -8.298 -9.450 0.132 1.00 60.01 H new ATOM 0 HB3 LEU A 18 -8.420 -10.207 1.708 1.00 60.01 H new ATOM 0 HG LEU A 18 -7.852 -7.727 1.626 1.00 53.24 H new ATOM 0 HD11 LEU A 18 -6.303 -7.858 3.540 1.00 64.34 H new ATOM 0 HD12 LEU A 18 -7.634 -9.032 3.671 1.00 64.34 H new ATOM 0 HD13 LEU A 18 -6.012 -9.576 3.177 1.00 64.34 H new ATOM 0 HD21 LEU A 18 -5.464 -7.153 1.339 1.00 54.44 H new ATOM 0 HD22 LEU A 18 -5.132 -8.828 0.838 1.00 54.44 H new ATOM 0 HD23 LEU A 18 -6.183 -7.793 -0.158 1.00 54.44 H new ATOM 308 N SER A 19 -4.743 -11.155 1.930 1.00 33.11 N ATOM 309 CA SER A 19 -3.943 -11.660 3.062 1.00 1.54 C ATOM 310 C SER A 19 -3.027 -10.560 3.631 1.00 24.54 C ATOM 311 O SER A 19 -2.988 -9.445 3.118 1.00 25.51 O ATOM 312 CB SER A 19 -3.098 -12.871 2.632 1.00 45.53 C ATOM 313 OG SER A 19 -2.142 -12.518 1.641 1.00 33.52 O ATOM 0 H SER A 19 -4.241 -10.512 1.318 1.00 33.11 H new ATOM 0 HA SER A 19 -4.637 -11.970 3.843 1.00 1.54 H new ATOM 0 HB2 SER A 19 -2.586 -13.285 3.501 1.00 45.53 H new ATOM 0 HB3 SER A 19 -3.752 -13.653 2.245 1.00 45.53 H new ATOM 0 HG SER A 19 -1.621 -13.310 1.392 1.00 33.52 H new ATOM 319 N LEU A 20 -2.303 -10.879 4.707 1.00 0.15 N ATOM 320 CA LEU A 20 -1.372 -9.924 5.336 1.00 12.02 C ATOM 321 C LEU A 20 -0.157 -9.651 4.417 1.00 61.44 C ATOM 322 O LEU A 20 0.405 -10.578 3.828 1.00 62.20 O ATOM 323 CB LEU A 20 -0.918 -10.484 6.706 1.00 12.14 C ATOM 324 CG LEU A 20 -0.351 -9.473 7.729 1.00 14.21 C ATOM 325 CD1 LEU A 20 1.025 -8.955 7.319 1.00 73.41 C ATOM 326 CD2 LEU A 20 -1.322 -8.314 7.936 1.00 1.42 C ATOM 0 H LEU A 20 -2.340 -11.790 5.165 1.00 0.15 H new ATOM 0 HA LEU A 20 -1.882 -8.973 5.491 1.00 12.02 H new ATOM 0 HB2 LEU A 20 -1.769 -10.987 7.164 1.00 12.14 H new ATOM 0 HB3 LEU A 20 -0.158 -11.244 6.525 1.00 12.14 H new ATOM 0 HG LEU A 20 -0.230 -10.002 8.674 1.00 14.21 H new ATOM 0 HD11 LEU A 20 1.385 -8.248 8.066 1.00 73.41 H new ATOM 0 HD12 LEU A 20 1.721 -9.791 7.245 1.00 73.41 H new ATOM 0 HD13 LEU A 20 0.953 -8.456 6.352 1.00 73.41 H new ATOM 0 HD21 LEU A 20 -0.904 -7.614 8.659 1.00 1.42 H new ATOM 0 HD22 LEU A 20 -1.485 -7.802 6.988 1.00 1.42 H new ATOM 0 HD23 LEU A 20 -2.272 -8.697 8.309 1.00 1.42 H new ATOM 338 N LEU A 21 0.245 -8.382 4.302 1.00 11.44 N ATOM 339 CA LEU A 21 1.353 -7.984 3.416 1.00 23.22 C ATOM 340 C LEU A 21 2.713 -8.511 3.913 1.00 51.23 C ATOM 341 O LEU A 21 3.065 -8.356 5.082 1.00 52.12 O ATOM 342 CB LEU A 21 1.399 -6.453 3.284 1.00 71.15 C ATOM 343 CG LEU A 21 2.577 -5.881 2.471 1.00 51.30 C ATOM 344 CD1 LEU A 21 2.580 -6.424 1.046 1.00 54.42 C ATOM 345 CD2 LEU A 21 2.536 -4.356 2.467 1.00 12.03 C ATOM 0 H LEU A 21 -0.179 -7.607 4.812 1.00 11.44 H new ATOM 0 HA LEU A 21 1.166 -8.431 2.440 1.00 23.22 H new ATOM 0 HB2 LEU A 21 0.469 -6.120 2.823 1.00 71.15 H new ATOM 0 HB3 LEU A 21 1.431 -6.022 4.285 1.00 71.15 H new ATOM 0 HG LEU A 21 3.502 -6.200 2.951 1.00 51.30 H new ATOM 0 HD11 LEU A 21 3.422 -6.002 0.498 1.00 54.42 H new ATOM 0 HD12 LEU A 21 2.670 -7.510 1.071 1.00 54.42 H new ATOM 0 HD13 LEU A 21 1.650 -6.148 0.550 1.00 54.42 H new ATOM 0 HD21 LEU A 21 3.375 -3.971 1.888 1.00 12.03 H new ATOM 0 HD22 LEU A 21 1.601 -4.018 2.019 1.00 12.03 H new ATOM 0 HD23 LEU A 21 2.602 -3.988 3.491 1.00 12.03 H new ATOM 357 N GLU A 22 3.474 -9.125 3.004 1.00 14.03 N ATOM 358 CA GLU A 22 4.812 -9.634 3.330 1.00 43.11 C ATOM 359 C GLU A 22 5.741 -8.512 3.827 1.00 52.12 C ATOM 360 O GLU A 22 5.767 -7.414 3.267 1.00 73.43 O ATOM 361 CB GLU A 22 5.436 -10.324 2.101 1.00 32.42 C ATOM 362 CG GLU A 22 6.869 -10.822 2.317 1.00 72.44 C ATOM 363 CD GLU A 22 6.978 -11.892 3.395 1.00 0.20 C ATOM 364 OE1 GLU A 22 7.030 -11.538 4.596 1.00 12.33 O ATOM 365 OE2 GLU A 22 7.008 -13.092 3.050 1.00 11.32 O ATOM 0 H GLU A 22 3.189 -9.283 2.037 1.00 14.03 H new ATOM 0 HA GLU A 22 4.700 -10.360 4.135 1.00 43.11 H new ATOM 0 HB2 GLU A 22 4.809 -11.169 1.816 1.00 32.42 H new ATOM 0 HB3 GLU A 22 5.429 -9.626 1.264 1.00 32.42 H new ATOM 0 HG2 GLU A 22 7.253 -11.221 1.378 1.00 72.44 H new ATOM 0 HG3 GLU A 22 7.503 -9.978 2.587 1.00 72.44 H new ATOM 372 N SER A 23 6.512 -8.810 4.871 1.00 2.01 N ATOM 373 CA SER A 23 7.442 -7.842 5.473 1.00 3.31 C ATOM 374 C SER A 23 8.376 -7.218 4.423 1.00 12.21 C ATOM 375 O SER A 23 8.574 -6.000 4.398 1.00 1.12 O ATOM 376 CB SER A 23 8.279 -8.532 6.559 1.00 61.11 C ATOM 377 OG SER A 23 9.030 -9.612 6.018 1.00 1.13 O ATOM 0 H SER A 23 6.514 -9.723 5.325 1.00 2.01 H new ATOM 0 HA SER A 23 6.848 -7.041 5.912 1.00 3.31 H new ATOM 0 HB2 SER A 23 8.954 -7.809 7.016 1.00 61.11 H new ATOM 0 HB3 SER A 23 7.624 -8.900 7.348 1.00 61.11 H new ATOM 0 HG SER A 23 8.420 -10.268 5.621 1.00 1.13 H new ATOM 383 N LYS A 24 8.934 -8.059 3.554 1.00 42.24 N ATOM 384 CA LYS A 24 9.816 -7.599 2.468 1.00 64.04 C ATOM 385 C LYS A 24 9.100 -6.601 1.540 1.00 13.42 C ATOM 386 O LYS A 24 9.720 -5.689 0.992 1.00 53.14 O ATOM 387 CB LYS A 24 10.325 -8.799 1.653 1.00 12.14 C ATOM 388 CG LYS A 24 11.155 -9.798 2.461 1.00 12.30 C ATOM 389 CD LYS A 24 12.429 -9.170 3.029 1.00 25.44 C ATOM 390 CE LYS A 24 13.336 -8.619 1.931 1.00 53.13 C ATOM 391 NZ LYS A 24 13.726 -9.667 0.955 1.00 22.33 N ATOM 0 H LYS A 24 8.794 -9.069 3.576 1.00 42.24 H new ATOM 0 HA LYS A 24 10.662 -7.086 2.925 1.00 64.04 H new ATOM 0 HB2 LYS A 24 9.470 -9.319 1.221 1.00 12.14 H new ATOM 0 HB3 LYS A 24 10.927 -8.431 0.823 1.00 12.14 H new ATOM 0 HG2 LYS A 24 10.551 -10.191 3.279 1.00 12.30 H new ATOM 0 HG3 LYS A 24 11.421 -10.643 1.826 1.00 12.30 H new ATOM 0 HD2 LYS A 24 12.162 -8.366 3.715 1.00 25.44 H new ATOM 0 HD3 LYS A 24 12.973 -9.916 3.608 1.00 25.44 H new ATOM 0 HE2 LYS A 24 12.824 -7.810 1.410 1.00 53.13 H new ATOM 0 HE3 LYS A 24 14.232 -8.191 2.381 1.00 53.13 H new ATOM 0 HZ1 LYS A 24 14.458 -9.293 0.318 1.00 22.33 H new ATOM 0 HZ2 LYS A 24 14.099 -10.494 1.464 1.00 22.33 H new ATOM 0 HZ3 LYS A 24 12.894 -9.950 0.398 1.00 22.33 H new ATOM 405 N GLY A 25 7.799 -6.793 1.352 1.00 75.55 N ATOM 406 CA GLY A 25 7.004 -5.860 0.562 1.00 4.11 C ATOM 407 C GLY A 25 6.700 -4.566 1.311 1.00 5.05 C ATOM 408 O GLY A 25 6.751 -3.480 0.737 1.00 13.13 O ATOM 0 H GLY A 25 7.275 -7.581 1.733 1.00 75.55 H new ATOM 0 HA2 GLY A 25 7.536 -5.625 -0.360 1.00 4.11 H new ATOM 0 HA3 GLY A 25 6.067 -6.338 0.276 1.00 4.11 H new ATOM 412 N LEU A 26 6.413 -4.689 2.610 1.00 54.31 N ATOM 413 CA LEU A 26 6.002 -3.550 3.444 1.00 43.32 C ATOM 414 C LEU A 26 6.997 -2.379 3.362 1.00 12.40 C ATOM 415 O LEU A 26 6.596 -1.215 3.265 1.00 31.43 O ATOM 416 CB LEU A 26 5.844 -4.009 4.903 1.00 62.33 C ATOM 417 CG LEU A 26 5.329 -2.941 5.885 1.00 71.44 C ATOM 418 CD1 LEU A 26 3.947 -2.439 5.471 1.00 53.05 C ATOM 419 CD2 LEU A 26 5.303 -3.489 7.311 1.00 11.24 C ATOM 0 H LEU A 26 6.458 -5.575 3.113 1.00 54.31 H new ATOM 0 HA LEU A 26 5.047 -3.188 3.063 1.00 43.32 H new ATOM 0 HB2 LEU A 26 5.160 -4.858 4.926 1.00 62.33 H new ATOM 0 HB3 LEU A 26 6.810 -4.368 5.259 1.00 62.33 H new ATOM 0 HG LEU A 26 6.016 -2.095 5.856 1.00 71.44 H new ATOM 0 HD11 LEU A 26 3.606 -1.686 6.181 1.00 53.05 H new ATOM 0 HD12 LEU A 26 4.003 -2.000 4.475 1.00 53.05 H new ATOM 0 HD13 LEU A 26 3.245 -3.273 5.461 1.00 53.05 H new ATOM 0 HD21 LEU A 26 4.936 -2.719 7.990 1.00 11.24 H new ATOM 0 HD22 LEU A 26 4.644 -4.356 7.356 1.00 11.24 H new ATOM 0 HD23 LEU A 26 6.310 -3.783 7.606 1.00 11.24 H new ATOM 431 N GLU A 27 8.294 -2.685 3.389 1.00 64.22 N ATOM 432 CA GLU A 27 9.327 -1.650 3.282 1.00 62.42 C ATOM 433 C GLU A 27 9.228 -0.889 1.948 1.00 23.24 C ATOM 434 O GLU A 27 9.415 0.326 1.909 1.00 3.35 O ATOM 435 CB GLU A 27 10.728 -2.254 3.435 1.00 42.03 C ATOM 436 CG GLU A 27 11.038 -3.366 2.441 1.00 64.54 C ATOM 437 CD GLU A 27 12.497 -3.792 2.470 1.00 32.45 C ATOM 438 OE1 GLU A 27 13.007 -4.112 3.564 1.00 2.04 O ATOM 439 OE2 GLU A 27 13.144 -3.795 1.401 1.00 2.43 O ATOM 0 H GLU A 27 8.655 -3.634 3.483 1.00 64.22 H new ATOM 0 HA GLU A 27 9.158 -0.942 4.093 1.00 62.42 H new ATOM 0 HB2 GLU A 27 11.468 -1.462 3.320 1.00 42.03 H new ATOM 0 HB3 GLU A 27 10.835 -2.645 4.447 1.00 42.03 H new ATOM 0 HG2 GLU A 27 10.408 -4.228 2.659 1.00 64.54 H new ATOM 0 HG3 GLU A 27 10.782 -3.031 1.436 1.00 64.54 H new ATOM 446 N ALA A 28 8.912 -1.603 0.865 1.00 41.11 N ATOM 447 CA ALA A 28 8.790 -0.988 -0.463 1.00 1.12 C ATOM 448 C ALA A 28 7.689 0.086 -0.475 1.00 30.32 C ATOM 449 O ALA A 28 7.844 1.148 -1.089 1.00 14.44 O ATOM 450 CB ALA A 28 8.510 -2.054 -1.517 1.00 52.24 C ATOM 0 H ALA A 28 8.736 -2.608 0.879 1.00 41.11 H new ATOM 0 HA ALA A 28 9.736 -0.502 -0.701 1.00 1.12 H new ATOM 0 HB1 ALA A 28 8.422 -1.583 -2.496 1.00 52.24 H new ATOM 0 HB2 ALA A 28 9.328 -2.774 -1.533 1.00 52.24 H new ATOM 0 HB3 ALA A 28 7.579 -2.568 -1.277 1.00 52.24 H new ATOM 456 N LEU A 29 6.587 -0.198 0.219 1.00 15.33 N ATOM 457 CA LEU A 29 5.501 0.775 0.384 1.00 34.01 C ATOM 458 C LEU A 29 5.995 2.024 1.133 1.00 23.30 C ATOM 459 O LEU A 29 5.850 3.147 0.647 1.00 64.54 O ATOM 460 CB LEU A 29 4.313 0.142 1.138 1.00 35.15 C ATOM 461 CG LEU A 29 3.409 -0.802 0.315 1.00 22.13 C ATOM 462 CD1 LEU A 29 2.765 -0.057 -0.852 1.00 64.34 C ATOM 463 CD2 LEU A 29 4.180 -2.018 -0.192 1.00 60.45 C ATOM 0 H LEU A 29 6.420 -1.094 0.677 1.00 15.33 H new ATOM 0 HA LEU A 29 5.166 1.075 -0.609 1.00 34.01 H new ATOM 0 HB2 LEU A 29 4.705 -0.415 1.989 1.00 35.15 H new ATOM 0 HB3 LEU A 29 3.695 0.945 1.539 1.00 35.15 H new ATOM 0 HG LEU A 29 2.621 -1.158 0.979 1.00 22.13 H new ATOM 0 HD11 LEU A 29 2.133 -0.742 -1.417 1.00 64.34 H new ATOM 0 HD12 LEU A 29 2.159 0.764 -0.469 1.00 64.34 H new ATOM 0 HD13 LEU A 29 3.543 0.340 -1.504 1.00 64.34 H new ATOM 0 HD21 LEU A 29 3.511 -2.659 -0.767 1.00 60.45 H new ATOM 0 HD22 LEU A 29 5.002 -1.689 -0.828 1.00 60.45 H new ATOM 0 HD23 LEU A 29 4.578 -2.576 0.656 1.00 60.45 H new ATOM 475 N ASN A 30 6.607 1.818 2.304 1.00 72.43 N ATOM 476 CA ASN A 30 7.125 2.933 3.114 1.00 11.22 C ATOM 477 C ASN A 30 8.124 3.797 2.324 1.00 51.41 C ATOM 478 O ASN A 30 8.045 5.026 2.350 1.00 70.43 O ATOM 479 CB ASN A 30 7.774 2.408 4.403 1.00 61.31 C ATOM 480 CG ASN A 30 6.751 1.892 5.401 1.00 4.23 C ATOM 481 OD1 ASN A 30 6.254 2.633 6.241 1.00 45.14 O ATOM 482 ND2 ASN A 30 6.426 0.617 5.326 1.00 32.35 N ATOM 0 H ASN A 30 6.757 0.896 2.713 1.00 72.43 H new ATOM 0 HA ASN A 30 6.278 3.566 3.378 1.00 11.22 H new ATOM 0 HB2 ASN A 30 8.471 1.607 4.155 1.00 61.31 H new ATOM 0 HB3 ASN A 30 8.356 3.206 4.864 1.00 61.31 H new ATOM 0 HD21 ASN A 30 5.746 0.225 5.977 1.00 32.35 H new ATOM 0 HD22 ASN A 30 6.855 0.022 4.617 1.00 32.35 H new ATOM 489 N LYS A 31 9.048 3.153 1.610 1.00 4.12 N ATOM 490 CA LYS A 31 10.027 3.869 0.775 1.00 50.13 C ATOM 491 C LYS A 31 9.328 4.772 -0.256 1.00 10.02 C ATOM 492 O LYS A 31 9.721 5.922 -0.471 1.00 74.53 O ATOM 493 CB LYS A 31 10.944 2.868 0.058 1.00 54.05 C ATOM 494 CG LYS A 31 11.811 2.036 0.998 1.00 24.11 C ATOM 495 CD LYS A 31 12.667 1.023 0.239 1.00 22.02 C ATOM 496 CE LYS A 31 13.580 0.238 1.175 1.00 12.42 C ATOM 497 NZ LYS A 31 14.530 1.126 1.897 1.00 61.11 N ATOM 0 H LYS A 31 9.143 2.138 1.590 1.00 4.12 H new ATOM 0 HA LYS A 31 10.626 4.502 1.430 1.00 50.13 H new ATOM 0 HB2 LYS A 31 10.331 2.197 -0.544 1.00 54.05 H new ATOM 0 HB3 LYS A 31 11.591 3.412 -0.630 1.00 54.05 H new ATOM 0 HG2 LYS A 31 12.457 2.697 1.575 1.00 24.11 H new ATOM 0 HG3 LYS A 31 11.174 1.511 1.710 1.00 24.11 H new ATOM 0 HD2 LYS A 31 12.019 0.332 -0.301 1.00 22.02 H new ATOM 0 HD3 LYS A 31 13.270 1.542 -0.506 1.00 22.02 H new ATOM 0 HE2 LYS A 31 12.975 -0.310 1.897 1.00 12.42 H new ATOM 0 HE3 LYS A 31 14.139 -0.501 0.601 1.00 12.42 H new ATOM 0 HZ1 LYS A 31 15.279 0.551 2.334 1.00 61.11 H new ATOM 0 HZ2 LYS A 31 14.955 1.798 1.226 1.00 61.11 H new ATOM 0 HZ3 LYS A 31 14.021 1.651 2.636 1.00 61.11 H new ATOM 511 N ALA A 32 8.279 4.246 -0.882 1.00 61.03 N ATOM 512 CA ALA A 32 7.496 5.014 -1.852 1.00 4.43 C ATOM 513 C ALA A 32 6.748 6.176 -1.174 1.00 73.03 C ATOM 514 O ALA A 32 6.579 7.247 -1.764 1.00 71.21 O ATOM 515 CB ALA A 32 6.518 4.102 -2.583 1.00 44.21 C ATOM 0 H ALA A 32 7.950 3.292 -0.737 1.00 61.03 H new ATOM 0 HA ALA A 32 8.187 5.443 -2.578 1.00 4.43 H new ATOM 0 HB1 ALA A 32 5.943 4.686 -3.301 1.00 44.21 H new ATOM 0 HB2 ALA A 32 7.070 3.323 -3.109 1.00 44.21 H new ATOM 0 HB3 ALA A 32 5.841 3.643 -1.863 1.00 44.21 H new ATOM 521 N ILE A 33 6.309 5.955 0.063 1.00 5.51 N ATOM 522 CA ILE A 33 5.641 6.993 0.855 1.00 23.54 C ATOM 523 C ILE A 33 6.604 8.150 1.170 1.00 41.21 C ATOM 524 O ILE A 33 6.259 9.324 1.012 1.00 53.13 O ATOM 525 CB ILE A 33 5.066 6.405 2.173 1.00 54.52 C ATOM 526 CG1 ILE A 33 4.015 5.322 1.854 1.00 74.32 C ATOM 527 CG2 ILE A 33 4.468 7.505 3.049 1.00 60.14 C ATOM 528 CD1 ILE A 33 3.454 4.624 3.074 1.00 11.04 C ATOM 0 H ILE A 33 6.403 5.061 0.544 1.00 5.51 H new ATOM 0 HA ILE A 33 4.815 7.381 0.259 1.00 23.54 H new ATOM 0 HB ILE A 33 5.881 5.945 2.732 1.00 54.52 H new ATOM 0 HG12 ILE A 33 3.194 5.780 1.301 1.00 74.32 H new ATOM 0 HG13 ILE A 33 4.465 4.577 1.198 1.00 74.32 H new ATOM 0 HG21 ILE A 33 4.073 7.066 3.965 1.00 60.14 H new ATOM 0 HG22 ILE A 33 5.241 8.232 3.299 1.00 60.14 H new ATOM 0 HG23 ILE A 33 3.663 8.003 2.509 1.00 60.14 H new ATOM 0 HD11 ILE A 33 2.723 3.878 2.762 1.00 11.04 H new ATOM 0 HD12 ILE A 33 4.262 4.135 3.617 1.00 11.04 H new ATOM 0 HD13 ILE A 33 2.972 5.356 3.722 1.00 11.04 H new ATOM 540 N VAL A 34 7.827 7.812 1.585 1.00 71.14 N ATOM 541 CA VAL A 34 8.874 8.813 1.822 1.00 4.23 C ATOM 542 C VAL A 34 9.152 9.617 0.541 1.00 43.44 C ATOM 543 O VAL A 34 9.371 10.832 0.576 1.00 51.31 O ATOM 544 CB VAL A 34 10.188 8.143 2.309 1.00 34.04 C ATOM 545 CG1 VAL A 34 11.288 9.181 2.528 1.00 22.42 C ATOM 546 CG2 VAL A 34 9.944 7.337 3.585 1.00 45.22 C ATOM 0 H VAL A 34 8.119 6.851 1.765 1.00 71.14 H new ATOM 0 HA VAL A 34 8.516 9.487 2.600 1.00 4.23 H new ATOM 0 HB VAL A 34 10.523 7.459 1.530 1.00 34.04 H new ATOM 0 HG11 VAL A 34 12.196 8.683 2.869 1.00 22.42 H new ATOM 0 HG12 VAL A 34 11.489 9.701 1.591 1.00 22.42 H new ATOM 0 HG13 VAL A 34 10.965 9.900 3.280 1.00 22.42 H new ATOM 0 HG21 VAL A 34 10.877 6.876 3.908 1.00 45.22 H new ATOM 0 HG22 VAL A 34 9.575 7.999 4.369 1.00 45.22 H new ATOM 0 HG23 VAL A 34 9.205 6.560 3.389 1.00 45.22 H new ATOM 556 N SER A 35 9.127 8.922 -0.595 1.00 33.54 N ATOM 557 CA SER A 35 9.279 9.561 -1.909 1.00 63.23 C ATOM 558 C SER A 35 8.076 10.459 -2.238 1.00 62.33 C ATOM 559 O SER A 35 8.213 11.469 -2.928 1.00 74.01 O ATOM 560 CB SER A 35 9.447 8.493 -2.998 1.00 12.14 C ATOM 561 OG SER A 35 9.667 9.078 -4.275 1.00 75.31 O ATOM 0 H SER A 35 9.002 7.910 -0.636 1.00 33.54 H new ATOM 0 HA SER A 35 10.170 10.188 -1.875 1.00 63.23 H new ATOM 0 HB2 SER A 35 10.285 7.844 -2.745 1.00 12.14 H new ATOM 0 HB3 SER A 35 8.557 7.865 -3.033 1.00 12.14 H new ATOM 0 HG SER A 35 9.771 8.371 -4.945 1.00 75.31 H new ATOM 567 N GLY A 36 6.900 10.100 -1.717 1.00 1.04 N ATOM 568 CA GLY A 36 5.684 10.864 -1.992 1.00 23.41 C ATOM 569 C GLY A 36 5.070 10.561 -3.361 1.00 74.34 C ATOM 570 O GLY A 36 4.524 11.448 -4.017 1.00 15.41 O ATOM 0 H GLY A 36 6.766 9.293 -1.108 1.00 1.04 H new ATOM 0 HA2 GLY A 36 4.948 10.651 -1.217 1.00 23.41 H new ATOM 0 HA3 GLY A 36 5.912 11.928 -1.932 1.00 23.41 H new ATOM 574 N THR A 37 5.153 9.301 -3.791 1.00 12.11 N ATOM 575 CA THR A 37 4.620 8.884 -5.106 1.00 24.42 C ATOM 576 C THR A 37 3.366 8.004 -4.968 1.00 21.31 C ATOM 577 O THR A 37 2.735 7.634 -5.961 1.00 1.51 O ATOM 578 CB THR A 37 5.688 8.110 -5.923 1.00 50.02 C ATOM 579 OG1 THR A 37 5.161 7.727 -7.204 1.00 11.33 O ATOM 580 CG2 THR A 37 6.164 6.866 -5.181 1.00 25.21 C ATOM 0 H THR A 37 5.582 8.547 -3.255 1.00 12.11 H new ATOM 0 HA THR A 37 4.349 9.800 -5.631 1.00 24.42 H new ATOM 0 HB THR A 37 6.538 8.778 -6.062 1.00 50.02 H new ATOM 0 HG1 THR A 37 4.196 7.574 -7.128 1.00 11.33 H new ATOM 0 HG21 THR A 37 6.911 6.348 -5.782 1.00 25.21 H new ATOM 0 HG22 THR A 37 6.603 7.157 -4.227 1.00 25.21 H new ATOM 0 HG23 THR A 37 5.318 6.202 -5.003 1.00 25.21 H new ATOM 588 N VAL A 38 2.995 7.687 -3.732 1.00 41.41 N ATOM 589 CA VAL A 38 1.883 6.770 -3.470 1.00 34.44 C ATOM 590 C VAL A 38 0.510 7.423 -3.729 1.00 2.21 C ATOM 591 O VAL A 38 0.005 8.192 -2.905 1.00 2.24 O ATOM 592 CB VAL A 38 1.933 6.236 -2.016 1.00 72.44 C ATOM 593 CG1 VAL A 38 0.788 5.260 -1.754 1.00 2.10 C ATOM 594 CG2 VAL A 38 3.283 5.583 -1.730 1.00 3.12 C ATOM 0 H VAL A 38 3.447 8.050 -2.893 1.00 41.41 H new ATOM 0 HA VAL A 38 2.000 5.940 -4.167 1.00 34.44 H new ATOM 0 HB VAL A 38 1.813 7.081 -1.338 1.00 72.44 H new ATOM 0 HG11 VAL A 38 0.845 4.899 -0.727 1.00 2.10 H new ATOM 0 HG12 VAL A 38 -0.165 5.767 -1.908 1.00 2.10 H new ATOM 0 HG13 VAL A 38 0.865 4.416 -2.440 1.00 2.10 H new ATOM 0 HG21 VAL A 38 3.299 5.214 -0.704 1.00 3.12 H new ATOM 0 HG22 VAL A 38 3.438 4.751 -2.417 1.00 3.12 H new ATOM 0 HG23 VAL A 38 4.078 6.317 -1.864 1.00 3.12 H new ATOM 604 N GLN A 39 -0.076 7.124 -4.889 1.00 33.22 N ATOM 605 CA GLN A 39 -1.443 7.557 -5.208 1.00 3.33 C ATOM 606 C GLN A 39 -2.475 6.551 -4.678 1.00 32.34 C ATOM 607 O GLN A 39 -2.402 5.353 -4.957 1.00 5.42 O ATOM 608 CB GLN A 39 -1.626 7.745 -6.724 1.00 43.01 C ATOM 609 CG GLN A 39 -0.961 9.001 -7.281 1.00 32.14 C ATOM 610 CD GLN A 39 -1.268 9.222 -8.755 1.00 51.42 C ATOM 611 OE1 GLN A 39 -2.262 9.851 -9.109 1.00 44.32 O ATOM 612 NE2 GLN A 39 -0.422 8.714 -9.624 1.00 51.34 N ATOM 0 H GLN A 39 0.374 6.582 -5.627 1.00 33.22 H new ATOM 0 HA GLN A 39 -1.605 8.517 -4.717 1.00 3.33 H new ATOM 0 HB2 GLN A 39 -1.221 6.874 -7.239 1.00 43.01 H new ATOM 0 HB3 GLN A 39 -2.692 7.781 -6.949 1.00 43.01 H new ATOM 0 HG2 GLN A 39 -1.295 9.868 -6.710 1.00 32.14 H new ATOM 0 HG3 GLN A 39 0.118 8.927 -7.146 1.00 32.14 H new ATOM 0 HE21 GLN A 39 0.394 8.197 -9.298 1.00 51.34 H new ATOM 0 HE22 GLN A 39 -0.582 8.837 -10.624 1.00 51.34 H new ATOM 621 N ARG A 40 -3.433 7.060 -3.916 1.00 71.53 N ATOM 622 CA ARG A 40 -4.490 6.240 -3.314 1.00 61.24 C ATOM 623 C ARG A 40 -5.545 5.842 -4.366 1.00 43.14 C ATOM 624 O ARG A 40 -5.668 6.503 -5.399 1.00 41.41 O ATOM 625 CB ARG A 40 -5.144 7.050 -2.182 1.00 23.13 C ATOM 626 CG ARG A 40 -5.947 6.228 -1.183 1.00 63.22 C ATOM 627 CD ARG A 40 -6.634 7.120 -0.147 1.00 4.31 C ATOM 628 NE ARG A 40 -5.702 8.064 0.477 1.00 21.14 N ATOM 629 CZ ARG A 40 -5.933 8.690 1.606 1.00 12.33 C ATOM 630 NH1 ARG A 40 -7.009 8.453 2.287 1.00 62.00 N ATOM 631 NH2 ARG A 40 -5.073 9.546 2.053 1.00 64.42 N ATOM 0 H ARG A 40 -3.505 8.053 -3.694 1.00 71.53 H new ATOM 0 HA ARG A 40 -4.058 5.321 -2.918 1.00 61.24 H new ATOM 0 HB2 ARG A 40 -4.364 7.588 -1.643 1.00 23.13 H new ATOM 0 HB3 ARG A 40 -5.801 7.799 -2.624 1.00 23.13 H new ATOM 0 HG2 ARG A 40 -6.697 5.640 -1.713 1.00 63.22 H new ATOM 0 HG3 ARG A 40 -5.288 5.522 -0.677 1.00 63.22 H new ATOM 0 HD2 ARG A 40 -7.442 7.673 -0.625 1.00 4.31 H new ATOM 0 HD3 ARG A 40 -7.087 6.496 0.624 1.00 4.31 H new ATOM 0 HE ARG A 40 -4.817 8.246 0.003 1.00 21.14 H new ATOM 0 HH11 ARG A 40 -7.688 7.773 1.947 1.00 62.00 H new ATOM 0 HH12 ARG A 40 -7.177 8.947 3.164 1.00 62.00 H new ATOM 0 HH21 ARG A 40 -4.219 9.732 1.528 1.00 64.42 H new ATOM 0 HH22 ARG A 40 -5.249 10.035 2.931 1.00 64.42 H new ATOM 645 N ALA A 41 -6.305 4.770 -4.109 1.00 61.34 N ATOM 646 CA ALA A 41 -7.413 4.373 -5.000 1.00 24.23 C ATOM 647 C ALA A 41 -8.338 5.564 -5.290 1.00 60.32 C ATOM 648 O ALA A 41 -8.754 5.790 -6.429 1.00 32.20 O ATOM 649 CB ALA A 41 -8.207 3.224 -4.388 1.00 72.20 C ATOM 0 H ALA A 41 -6.178 4.163 -3.299 1.00 61.34 H new ATOM 0 HA ALA A 41 -6.982 4.037 -5.943 1.00 24.23 H new ATOM 0 HB1 ALA A 41 -9.019 2.945 -5.059 1.00 72.20 H new ATOM 0 HB2 ALA A 41 -7.550 2.367 -4.238 1.00 72.20 H new ATOM 0 HB3 ALA A 41 -8.620 3.537 -3.429 1.00 72.20 H new ATOM 655 N ASP A 42 -8.661 6.310 -4.235 1.00 64.25 N ATOM 656 CA ASP A 42 -9.358 7.594 -4.355 1.00 31.52 C ATOM 657 C ASP A 42 -8.631 8.537 -5.330 1.00 33.22 C ATOM 658 O ASP A 42 -9.235 9.097 -6.243 1.00 72.01 O ATOM 659 CB ASP A 42 -9.462 8.246 -2.967 1.00 21.22 C ATOM 660 CG ASP A 42 -9.837 9.717 -3.032 1.00 23.53 C ATOM 661 OD1 ASP A 42 -11.044 10.030 -3.045 1.00 4.00 O ATOM 662 OD2 ASP A 42 -8.920 10.567 -3.077 1.00 25.32 O ATOM 0 H ASP A 42 -8.448 6.044 -3.274 1.00 64.25 H new ATOM 0 HA ASP A 42 -10.356 7.411 -4.753 1.00 31.52 H new ATOM 0 HB2 ASP A 42 -10.206 7.712 -2.375 1.00 21.22 H new ATOM 0 HB3 ASP A 42 -8.508 8.142 -2.450 1.00 21.22 H new ATOM 667 N GLY A 43 -7.323 8.688 -5.129 1.00 32.41 N ATOM 668 CA GLY A 43 -6.529 9.631 -5.911 1.00 51.43 C ATOM 669 C GLY A 43 -5.552 10.424 -5.047 1.00 41.42 C ATOM 670 O GLY A 43 -4.454 10.763 -5.489 1.00 75.21 O ATOM 0 H GLY A 43 -6.791 8.169 -4.431 1.00 32.41 H new ATOM 0 HA2 GLY A 43 -5.975 9.088 -6.677 1.00 51.43 H new ATOM 0 HA3 GLY A 43 -7.195 10.321 -6.429 1.00 51.43 H new ATOM 674 N SER A 44 -5.957 10.715 -3.808 1.00 73.22 N ATOM 675 CA SER A 44 -5.115 11.462 -2.852 1.00 62.11 C ATOM 676 C SER A 44 -3.746 10.799 -2.613 1.00 3.33 C ATOM 677 O SER A 44 -3.587 9.590 -2.774 1.00 11.01 O ATOM 678 CB SER A 44 -5.841 11.614 -1.510 1.00 34.31 C ATOM 679 OG SER A 44 -5.026 12.279 -0.557 1.00 12.53 O ATOM 0 H SER A 44 -6.868 10.445 -3.436 1.00 73.22 H new ATOM 0 HA SER A 44 -4.935 12.440 -3.299 1.00 62.11 H new ATOM 0 HB2 SER A 44 -6.765 12.173 -1.655 1.00 34.31 H new ATOM 0 HB3 SER A 44 -6.120 10.631 -1.131 1.00 34.31 H new ATOM 0 HG SER A 44 -5.514 12.364 0.288 1.00 12.53 H new ATOM 685 N ILE A 45 -2.765 11.599 -2.197 1.00 42.41 N ATOM 686 CA ILE A 45 -1.399 11.110 -1.965 1.00 73.12 C ATOM 687 C ILE A 45 -1.203 10.648 -0.512 1.00 44.41 C ATOM 688 O ILE A 45 -1.727 11.259 0.425 1.00 72.34 O ATOM 689 CB ILE A 45 -0.350 12.206 -2.293 1.00 60.33 C ATOM 690 CG1 ILE A 45 -0.437 12.615 -3.773 1.00 52.23 C ATOM 691 CG2 ILE A 45 1.066 11.736 -1.948 1.00 50.05 C ATOM 692 CD1 ILE A 45 -0.112 11.495 -4.743 1.00 70.03 C ATOM 0 H ILE A 45 -2.888 12.594 -2.012 1.00 42.41 H new ATOM 0 HA ILE A 45 -1.253 10.258 -2.629 1.00 73.12 H new ATOM 0 HB ILE A 45 -0.575 13.078 -1.679 1.00 60.33 H new ATOM 0 HG12 ILE A 45 -1.443 12.980 -3.980 1.00 52.23 H new ATOM 0 HG13 ILE A 45 0.246 13.445 -3.951 1.00 52.23 H new ATOM 0 HG21 ILE A 45 1.780 12.524 -2.188 1.00 50.05 H new ATOM 0 HG22 ILE A 45 1.124 11.506 -0.884 1.00 50.05 H new ATOM 0 HG23 ILE A 45 1.304 10.843 -2.526 1.00 50.05 H new ATOM 0 HD11 ILE A 45 -0.196 11.863 -5.765 1.00 70.03 H new ATOM 0 HD12 ILE A 45 0.905 11.144 -4.566 1.00 70.03 H new ATOM 0 HD13 ILE A 45 -0.811 10.672 -4.596 1.00 70.03 H new ATOM 704 N GLN A 46 -0.453 9.563 -0.331 1.00 12.02 N ATOM 705 CA GLN A 46 -0.131 9.049 1.006 1.00 41.53 C ATOM 706 C GLN A 46 1.274 9.484 1.465 1.00 44.24 C ATOM 707 O GLN A 46 2.285 8.949 1.006 1.00 73.24 O ATOM 708 CB GLN A 46 -0.238 7.514 1.029 1.00 21.44 C ATOM 709 CG GLN A 46 0.188 6.883 2.359 1.00 22.33 C ATOM 710 CD GLN A 46 -0.003 5.377 2.394 1.00 72.42 C ATOM 711 OE1 GLN A 46 0.064 4.701 1.378 1.00 14.20 O ATOM 712 NE2 GLN A 46 -0.213 4.836 3.576 1.00 53.33 N ATOM 0 H GLN A 46 -0.053 9.018 -1.095 1.00 12.02 H new ATOM 0 HA GLN A 46 -0.855 9.473 1.701 1.00 41.53 H new ATOM 0 HB2 GLN A 46 -1.268 7.228 0.815 1.00 21.44 H new ATOM 0 HB3 GLN A 46 0.379 7.104 0.229 1.00 21.44 H new ATOM 0 HG2 GLN A 46 1.237 7.114 2.544 1.00 22.33 H new ATOM 0 HG3 GLN A 46 -0.386 7.335 3.168 1.00 22.33 H new ATOM 0 HE21 GLN A 46 -0.264 5.427 4.406 1.00 53.33 H new ATOM 0 HE22 GLN A 46 -0.325 3.826 3.662 1.00 53.33 H new ATOM 721 N ASN A 47 1.330 10.468 2.362 1.00 53.23 N ATOM 722 CA ASN A 47 2.598 10.905 2.970 1.00 3.42 C ATOM 723 C ASN A 47 2.785 10.278 4.361 1.00 33.32 C ATOM 724 O ASN A 47 3.896 10.227 4.891 1.00 75.30 O ATOM 725 CB ASN A 47 2.635 12.431 3.075 1.00 73.41 C ATOM 726 CG ASN A 47 2.586 13.101 1.715 1.00 51.05 C ATOM 727 OD1 ASN A 47 1.518 13.400 1.195 1.00 4.20 O ATOM 728 ND2 ASN A 47 3.740 13.341 1.128 1.00 52.00 N ATOM 0 H ASN A 47 0.512 10.983 2.688 1.00 53.23 H new ATOM 0 HA ASN A 47 3.415 10.571 2.330 1.00 3.42 H new ATOM 0 HB2 ASN A 47 1.793 12.772 3.677 1.00 73.41 H new ATOM 0 HB3 ASN A 47 3.543 12.736 3.596 1.00 73.41 H new ATOM 0 HD21 ASN A 47 3.763 13.789 0.212 1.00 52.00 H new ATOM 0 HD22 ASN A 47 4.611 13.079 1.589 1.00 52.00 H new ATOM 735 N GLN A 48 1.684 9.809 4.945 1.00 71.53 N ATOM 736 CA GLN A 48 1.713 9.141 6.249 1.00 33.34 C ATOM 737 C GLN A 48 1.995 7.639 6.093 1.00 34.32 C ATOM 738 O GLN A 48 1.184 6.895 5.535 1.00 11.15 O ATOM 739 CB GLN A 48 0.380 9.354 6.980 1.00 63.11 C ATOM 740 CG GLN A 48 0.116 10.802 7.369 1.00 21.34 C ATOM 741 CD GLN A 48 -1.253 10.994 7.995 1.00 23.13 C ATOM 742 OE1 GLN A 48 -1.427 10.855 9.200 1.00 52.21 O ATOM 743 NE2 GLN A 48 -2.238 11.309 7.177 1.00 10.13 N ATOM 0 H GLN A 48 0.753 9.879 4.534 1.00 71.53 H new ATOM 0 HA GLN A 48 2.519 9.579 6.838 1.00 33.34 H new ATOM 0 HB2 GLN A 48 -0.433 9.005 6.343 1.00 63.11 H new ATOM 0 HB3 GLN A 48 0.367 8.738 7.879 1.00 63.11 H new ATOM 0 HG2 GLN A 48 0.882 11.132 8.070 1.00 21.34 H new ATOM 0 HG3 GLN A 48 0.200 11.434 6.485 1.00 21.34 H new ATOM 0 HE21 GLN A 48 -2.057 11.417 6.179 1.00 10.13 H new ATOM 0 HE22 GLN A 48 -3.181 11.445 7.542 1.00 10.13 H new ATOM 752 N SER A 49 3.146 7.195 6.594 1.00 54.32 N ATOM 753 CA SER A 49 3.557 5.795 6.460 1.00 24.32 C ATOM 754 C SER A 49 2.812 4.890 7.448 1.00 4.31 C ATOM 755 O SER A 49 2.658 5.223 8.626 1.00 71.33 O ATOM 756 CB SER A 49 5.073 5.650 6.661 1.00 50.13 C ATOM 757 OG SER A 49 5.469 6.060 7.960 1.00 42.21 O ATOM 0 H SER A 49 3.812 7.782 7.096 1.00 54.32 H new ATOM 0 HA SER A 49 3.300 5.479 5.449 1.00 24.32 H new ATOM 0 HB2 SER A 49 5.364 4.612 6.502 1.00 50.13 H new ATOM 0 HB3 SER A 49 5.598 6.246 5.915 1.00 50.13 H new ATOM 0 HG SER A 49 6.439 5.953 8.055 1.00 42.21 H new ATOM 763 N LEU A 50 2.342 3.748 6.950 1.00 55.32 N ATOM 764 CA LEU A 50 1.636 2.769 7.782 1.00 31.24 C ATOM 765 C LEU A 50 2.597 1.697 8.320 1.00 72.25 C ATOM 766 O LEU A 50 3.597 1.361 7.688 1.00 62.34 O ATOM 767 CB LEU A 50 0.470 2.131 6.993 1.00 14.45 C ATOM 768 CG LEU A 50 0.779 1.674 5.547 1.00 63.40 C ATOM 769 CD1 LEU A 50 1.669 0.433 5.516 1.00 72.13 C ATOM 770 CD2 LEU A 50 -0.516 1.421 4.774 1.00 52.41 C ATOM 0 H LEU A 50 2.437 3.475 5.972 1.00 55.32 H new ATOM 0 HA LEU A 50 1.219 3.292 8.643 1.00 31.24 H new ATOM 0 HB2 LEU A 50 0.112 1.268 7.554 1.00 14.45 H new ATOM 0 HB3 LEU A 50 -0.349 2.849 6.955 1.00 14.45 H new ATOM 0 HG LEU A 50 1.328 2.482 5.063 1.00 63.40 H new ATOM 0 HD11 LEU A 50 1.860 0.148 4.481 1.00 72.13 H new ATOM 0 HD12 LEU A 50 2.614 0.651 6.013 1.00 72.13 H new ATOM 0 HD13 LEU A 50 1.169 -0.387 6.032 1.00 72.13 H new ATOM 0 HD21 LEU A 50 -0.278 1.101 3.760 1.00 52.41 H new ATOM 0 HD22 LEU A 50 -1.092 0.643 5.274 1.00 52.41 H new ATOM 0 HD23 LEU A 50 -1.102 2.339 4.736 1.00 52.41 H new ATOM 782 N HIS A 51 2.282 1.164 9.497 1.00 23.22 N ATOM 783 CA HIS A 51 3.139 0.164 10.145 1.00 54.13 C ATOM 784 C HIS A 51 2.713 -1.270 9.791 1.00 42.11 C ATOM 785 O HIS A 51 3.447 -2.228 10.045 1.00 42.22 O ATOM 786 CB HIS A 51 3.111 0.364 11.666 1.00 34.42 C ATOM 787 CG HIS A 51 3.736 1.652 12.122 1.00 5.41 C ATOM 788 ND1 HIS A 51 4.657 1.712 13.143 1.00 64.54 N ATOM 789 CD2 HIS A 51 3.564 2.929 11.703 1.00 13.11 C ATOM 790 CE1 HIS A 51 5.021 2.961 13.334 1.00 20.32 C ATOM 791 NE2 HIS A 51 4.377 3.722 12.475 1.00 3.35 N ATOM 0 H HIS A 51 1.442 1.404 10.024 1.00 23.22 H new ATOM 0 HA HIS A 51 4.155 0.304 9.776 1.00 54.13 H new ATOM 0 HB2 HIS A 51 2.076 0.333 12.008 1.00 34.42 H new ATOM 0 HB3 HIS A 51 3.629 -0.468 12.142 1.00 34.42 H new ATOM 0 HD2 HIS A 51 2.910 3.261 10.910 1.00 13.11 H new ATOM 0 HE1 HIS A 51 5.730 3.305 14.072 1.00 20.32 H new ATOM 0 HE2 HIS A 51 4.467 4.735 12.396 1.00 3.35 H new ATOM 800 N GLU A 52 1.528 -1.413 9.202 1.00 51.11 N ATOM 801 CA GLU A 52 0.990 -2.732 8.852 1.00 75.50 C ATOM 802 C GLU A 52 -0.006 -2.624 7.681 1.00 32.05 C ATOM 803 O GLU A 52 -0.768 -1.655 7.586 1.00 52.25 O ATOM 804 CB GLU A 52 0.319 -3.340 10.089 1.00 2.01 C ATOM 805 CG GLU A 52 -0.157 -4.777 9.919 1.00 34.01 C ATOM 806 CD GLU A 52 -0.756 -5.349 11.197 1.00 33.44 C ATOM 807 OE1 GLU A 52 -1.203 -4.559 12.064 1.00 23.23 O ATOM 808 OE2 GLU A 52 -0.787 -6.591 11.345 1.00 51.12 O ATOM 0 H GLU A 52 0.919 -0.633 8.956 1.00 51.11 H new ATOM 0 HA GLU A 52 1.803 -3.381 8.528 1.00 75.50 H new ATOM 0 HB2 GLU A 52 1.022 -3.301 10.921 1.00 2.01 H new ATOM 0 HB3 GLU A 52 -0.534 -2.720 10.363 1.00 2.01 H new ATOM 0 HG2 GLU A 52 -0.901 -4.818 9.123 1.00 34.01 H new ATOM 0 HG3 GLU A 52 0.681 -5.399 9.605 1.00 34.01 H new ATOM 815 N ALA A 53 0.000 -3.615 6.787 1.00 24.25 N ATOM 816 CA ALA A 53 -0.818 -3.557 5.568 1.00 3.21 C ATOM 817 C ALA A 53 -1.236 -4.952 5.065 1.00 1.32 C ATOM 818 O ALA A 53 -0.840 -5.978 5.618 1.00 50.32 O ATOM 819 CB ALA A 53 -0.063 -2.803 4.478 1.00 3.22 C ATOM 0 H ALA A 53 0.558 -4.464 6.881 1.00 24.25 H new ATOM 0 HA ALA A 53 -1.737 -3.026 5.817 1.00 3.21 H new ATOM 0 HB1 ALA A 53 -0.672 -2.762 3.575 1.00 3.22 H new ATOM 0 HB2 ALA A 53 0.151 -1.790 4.818 1.00 3.22 H new ATOM 0 HB3 ALA A 53 0.873 -3.318 4.261 1.00 3.22 H new ATOM 825 N LEU A 54 -2.039 -4.969 4.002 1.00 31.55 N ATOM 826 CA LEU A 54 -2.579 -6.208 3.425 1.00 52.14 C ATOM 827 C LEU A 54 -2.237 -6.320 1.930 1.00 55.32 C ATOM 828 O LEU A 54 -2.210 -5.320 1.219 1.00 72.24 O ATOM 829 CB LEU A 54 -4.099 -6.220 3.598 1.00 50.43 C ATOM 830 CG LEU A 54 -4.603 -6.138 5.045 1.00 54.21 C ATOM 831 CD1 LEU A 54 -6.066 -5.717 5.078 1.00 63.23 C ATOM 832 CD2 LEU A 54 -4.409 -7.475 5.761 1.00 12.30 C ATOM 0 H LEU A 54 -2.336 -4.125 3.513 1.00 31.55 H new ATOM 0 HA LEU A 54 -2.130 -7.055 3.943 1.00 52.14 H new ATOM 0 HB2 LEU A 54 -4.517 -5.383 3.039 1.00 50.43 H new ATOM 0 HB3 LEU A 54 -4.491 -7.132 3.147 1.00 50.43 H new ATOM 0 HG LEU A 54 -4.017 -5.383 5.570 1.00 54.21 H new ATOM 0 HD11 LEU A 54 -6.406 -5.664 6.112 1.00 63.23 H new ATOM 0 HD12 LEU A 54 -6.174 -4.738 4.610 1.00 63.23 H new ATOM 0 HD13 LEU A 54 -6.667 -6.447 4.535 1.00 63.23 H new ATOM 0 HD21 LEU A 54 -4.773 -7.395 6.785 1.00 12.30 H new ATOM 0 HD22 LEU A 54 -4.966 -8.252 5.238 1.00 12.30 H new ATOM 0 HD23 LEU A 54 -3.350 -7.732 5.771 1.00 12.30 H new ATOM 844 N ILE A 55 -1.999 -7.536 1.449 1.00 63.30 N ATOM 845 CA ILE A 55 -1.661 -7.747 0.036 1.00 4.34 C ATOM 846 C ILE A 55 -2.664 -8.682 -0.666 1.00 45.24 C ATOM 847 O ILE A 55 -2.995 -9.761 -0.168 1.00 12.04 O ATOM 848 CB ILE A 55 -0.223 -8.313 -0.124 1.00 4.40 C ATOM 849 CG1 ILE A 55 0.162 -8.437 -1.610 1.00 42.23 C ATOM 850 CG2 ILE A 55 -0.083 -9.663 0.581 1.00 32.51 C ATOM 851 CD1 ILE A 55 0.173 -7.114 -2.353 1.00 73.43 C ATOM 0 H ILE A 55 -2.032 -8.388 2.008 1.00 63.30 H new ATOM 0 HA ILE A 55 -1.713 -6.769 -0.441 1.00 4.34 H new ATOM 0 HB ILE A 55 0.463 -7.609 0.347 1.00 4.40 H new ATOM 0 HG12 ILE A 55 1.150 -8.892 -1.683 1.00 42.23 H new ATOM 0 HG13 ILE A 55 -0.537 -9.113 -2.102 1.00 42.23 H new ATOM 0 HG21 ILE A 55 0.933 -10.037 0.453 1.00 32.51 H new ATOM 0 HG22 ILE A 55 -0.294 -9.542 1.643 1.00 32.51 H new ATOM 0 HG23 ILE A 55 -0.788 -10.374 0.149 1.00 32.51 H new ATOM 0 HD11 ILE A 55 0.453 -7.283 -3.393 1.00 73.43 H new ATOM 0 HD12 ILE A 55 -0.820 -6.666 -2.313 1.00 73.43 H new ATOM 0 HD13 ILE A 55 0.894 -6.441 -1.888 1.00 73.43 H new ATOM 863 N THR A 56 -3.159 -8.242 -1.822 1.00 4.24 N ATOM 864 CA THR A 56 -3.989 -9.096 -2.685 1.00 74.42 C ATOM 865 C THR A 56 -3.184 -10.301 -3.193 1.00 23.24 C ATOM 866 O THR A 56 -1.984 -10.189 -3.434 1.00 13.55 O ATOM 867 CB THR A 56 -4.536 -8.313 -3.907 1.00 63.50 C ATOM 868 OG1 THR A 56 -3.455 -7.690 -4.628 1.00 13.13 O ATOM 869 CG2 THR A 56 -5.544 -7.250 -3.476 1.00 73.43 C ATOM 0 H THR A 56 -3.003 -7.302 -2.186 1.00 4.24 H new ATOM 0 HA THR A 56 -4.828 -9.439 -2.079 1.00 74.42 H new ATOM 0 HB THR A 56 -5.042 -9.026 -4.558 1.00 63.50 H new ATOM 0 HG1 THR A 56 -3.103 -6.939 -4.106 1.00 13.13 H new ATOM 0 HG21 THR A 56 -5.910 -6.718 -4.354 1.00 73.43 H new ATOM 0 HG22 THR A 56 -6.381 -7.728 -2.967 1.00 73.43 H new ATOM 0 HG23 THR A 56 -5.062 -6.545 -2.799 1.00 73.43 H new ATOM 877 N ARG A 57 -3.837 -11.451 -3.349 1.00 4.44 N ATOM 878 CA ARG A 57 -3.151 -12.668 -3.816 1.00 51.12 C ATOM 879 C ARG A 57 -2.590 -12.484 -5.231 1.00 64.42 C ATOM 880 O ARG A 57 -1.535 -13.022 -5.570 1.00 44.01 O ATOM 881 CB ARG A 57 -4.099 -13.871 -3.776 1.00 24.42 C ATOM 882 CG ARG A 57 -3.443 -15.198 -4.148 1.00 25.13 C ATOM 883 CD ARG A 57 -2.272 -15.528 -3.226 1.00 33.50 C ATOM 884 NE ARG A 57 -2.672 -15.545 -1.819 1.00 43.13 N ATOM 885 CZ ARG A 57 -1.838 -15.574 -0.815 1.00 10.52 C ATOM 886 NH1 ARG A 57 -0.559 -15.610 -1.017 1.00 33.25 N ATOM 887 NH2 ARG A 57 -2.293 -15.562 0.393 1.00 54.42 N ATOM 0 H ARG A 57 -4.832 -11.572 -3.162 1.00 4.44 H new ATOM 0 HA ARG A 57 -2.315 -12.855 -3.142 1.00 51.12 H new ATOM 0 HB2 ARG A 57 -4.519 -13.955 -2.774 1.00 24.42 H new ATOM 0 HB3 ARG A 57 -4.931 -13.687 -4.456 1.00 24.42 H new ATOM 0 HG2 ARG A 57 -4.183 -15.997 -4.096 1.00 25.13 H new ATOM 0 HG3 ARG A 57 -3.093 -15.154 -5.179 1.00 25.13 H new ATOM 0 HD2 ARG A 57 -1.859 -16.500 -3.498 1.00 33.50 H new ATOM 0 HD3 ARG A 57 -1.479 -14.794 -3.369 1.00 33.50 H new ATOM 0 HE ARG A 57 -3.670 -15.533 -1.608 1.00 43.13 H new ATOM 0 HH11 ARG A 57 -0.193 -15.616 -1.969 1.00 33.25 H new ATOM 0 HH12 ARG A 57 0.082 -15.632 -0.224 1.00 33.25 H new ATOM 0 HH21 ARG A 57 -3.299 -15.530 0.559 1.00 54.42 H new ATOM 0 HH22 ARG A 57 -1.647 -15.585 1.182 1.00 54.42 H new ATOM 901 N ASP A 58 -3.302 -11.718 -6.055 1.00 15.10 N ATOM 902 CA ASP A 58 -2.816 -11.363 -7.390 1.00 2.14 C ATOM 903 C ASP A 58 -1.648 -10.363 -7.308 1.00 2.42 C ATOM 904 O ASP A 58 -0.994 -10.070 -8.311 1.00 75.01 O ATOM 905 CB ASP A 58 -3.965 -10.779 -8.210 1.00 55.23 C ATOM 906 CG ASP A 58 -5.127 -11.749 -8.318 1.00 22.45 C ATOM 907 OD1 ASP A 58 -5.115 -12.593 -9.238 1.00 33.15 O ATOM 908 OD2 ASP A 58 -6.050 -11.686 -7.480 1.00 70.43 O ATOM 0 H ASP A 58 -4.217 -11.331 -5.824 1.00 15.10 H new ATOM 0 HA ASP A 58 -2.445 -12.264 -7.879 1.00 2.14 H new ATOM 0 HB2 ASP A 58 -4.306 -9.852 -7.749 1.00 55.23 H new ATOM 0 HB3 ASP A 58 -3.608 -10.526 -9.208 1.00 55.23 H new ATOM 913 N ARG A 59 -1.405 -9.849 -6.098 1.00 23.42 N ATOM 914 CA ARG A 59 -0.298 -8.928 -5.818 1.00 21.33 C ATOM 915 C ARG A 59 -0.299 -7.725 -6.769 1.00 32.53 C ATOM 916 O ARG A 59 0.739 -7.314 -7.298 1.00 35.20 O ATOM 917 CB ARG A 59 1.035 -9.697 -5.844 1.00 54.44 C ATOM 918 CG ARG A 59 1.094 -10.777 -4.764 1.00 42.03 C ATOM 919 CD ARG A 59 2.387 -11.587 -4.783 1.00 52.05 C ATOM 920 NE ARG A 59 2.396 -12.583 -3.709 1.00 1.25 N ATOM 921 CZ ARG A 59 3.211 -13.602 -3.639 1.00 71.33 C ATOM 922 NH1 ARG A 59 4.126 -13.791 -4.531 1.00 11.31 N ATOM 923 NH2 ARG A 59 3.117 -14.429 -2.647 1.00 62.42 N ATOM 0 H ARG A 59 -1.975 -10.062 -5.279 1.00 23.42 H new ATOM 0 HA ARG A 59 -0.432 -8.514 -4.819 1.00 21.33 H new ATOM 0 HB2 ARG A 59 1.170 -10.156 -6.823 1.00 54.44 H new ATOM 0 HB3 ARG A 59 1.860 -8.998 -5.703 1.00 54.44 H new ATOM 0 HG2 ARG A 59 0.983 -10.308 -3.786 1.00 42.03 H new ATOM 0 HG3 ARG A 59 0.249 -11.454 -4.891 1.00 42.03 H new ATOM 0 HD2 ARG A 59 2.495 -12.085 -5.747 1.00 52.05 H new ATOM 0 HD3 ARG A 59 3.241 -10.919 -4.672 1.00 52.05 H new ATOM 0 HE ARG A 59 1.714 -12.473 -2.959 1.00 1.25 H new ATOM 0 HH11 ARG A 59 4.223 -13.138 -5.309 1.00 11.31 H new ATOM 0 HH12 ARG A 59 4.752 -14.593 -4.458 1.00 11.31 H new ATOM 0 HH21 ARG A 59 2.410 -14.283 -1.926 1.00 62.42 H new ATOM 0 HH22 ARG A 59 3.750 -15.227 -2.586 1.00 62.42 H new ATOM 937 N LYS A 60 -1.488 -7.159 -6.961 1.00 30.21 N ATOM 938 CA LYS A 60 -1.672 -5.972 -7.804 1.00 64.14 C ATOM 939 C LYS A 60 -2.038 -4.736 -6.959 1.00 32.35 C ATOM 940 O LYS A 60 -1.688 -3.608 -7.308 1.00 60.32 O ATOM 941 CB LYS A 60 -2.772 -6.227 -8.845 1.00 60.33 C ATOM 942 CG LYS A 60 -2.483 -7.401 -9.777 1.00 31.14 C ATOM 943 CD LYS A 60 -3.595 -7.602 -10.810 1.00 32.12 C ATOM 944 CE LYS A 60 -3.719 -6.413 -11.754 1.00 70.12 C ATOM 945 NZ LYS A 60 -2.478 -6.202 -12.547 1.00 32.32 N ATOM 0 H LYS A 60 -2.350 -7.506 -6.540 1.00 30.21 H new ATOM 0 HA LYS A 60 -0.728 -5.775 -8.311 1.00 64.14 H new ATOM 0 HB2 LYS A 60 -3.713 -6.411 -8.327 1.00 60.33 H new ATOM 0 HB3 LYS A 60 -2.908 -5.326 -9.443 1.00 60.33 H new ATOM 0 HG2 LYS A 60 -1.537 -7.231 -10.291 1.00 31.14 H new ATOM 0 HG3 LYS A 60 -2.367 -8.311 -9.188 1.00 31.14 H new ATOM 0 HD2 LYS A 60 -3.394 -8.504 -11.388 1.00 32.12 H new ATOM 0 HD3 LYS A 60 -4.544 -7.757 -10.296 1.00 32.12 H new ATOM 0 HE2 LYS A 60 -4.559 -6.572 -12.430 1.00 70.12 H new ATOM 0 HE3 LYS A 60 -3.939 -5.514 -11.178 1.00 70.12 H new ATOM 0 HZ1 LYS A 60 -2.666 -5.524 -13.313 1.00 32.32 H new ATOM 0 HZ2 LYS A 60 -1.730 -5.827 -11.929 1.00 32.32 H new ATOM 0 HZ3 LYS A 60 -2.169 -7.107 -12.955 1.00 32.32 H new ATOM 959 N GLN A 61 -2.755 -4.953 -5.851 1.00 75.10 N ATOM 960 CA GLN A 61 -3.151 -3.852 -4.957 1.00 65.12 C ATOM 961 C GLN A 61 -2.898 -4.188 -3.477 1.00 75.42 C ATOM 962 O GLN A 61 -2.818 -5.358 -3.088 1.00 51.21 O ATOM 963 CB GLN A 61 -4.629 -3.490 -5.175 1.00 64.34 C ATOM 964 CG GLN A 61 -4.924 -2.946 -6.570 1.00 71.13 C ATOM 965 CD GLN A 61 -6.371 -2.509 -6.763 1.00 1.51 C ATOM 966 OE1 GLN A 61 -6.656 -1.589 -7.523 1.00 73.04 O ATOM 967 NE2 GLN A 61 -7.297 -3.170 -6.095 1.00 41.40 N ATOM 0 H GLN A 61 -3.073 -5.874 -5.550 1.00 75.10 H new ATOM 0 HA GLN A 61 -2.530 -2.992 -5.208 1.00 65.12 H new ATOM 0 HB2 GLN A 61 -5.241 -4.375 -5.002 1.00 64.34 H new ATOM 0 HB3 GLN A 61 -4.926 -2.748 -4.434 1.00 64.34 H new ATOM 0 HG2 GLN A 61 -4.268 -2.098 -6.766 1.00 71.13 H new ATOM 0 HG3 GLN A 61 -4.683 -3.712 -7.307 1.00 71.13 H new ATOM 0 HE21 GLN A 61 -7.030 -3.931 -5.470 1.00 41.40 H new ATOM 0 HE22 GLN A 61 -8.280 -2.920 -6.204 1.00 41.40 H new ATOM 976 N VAL A 62 -2.778 -3.136 -2.663 1.00 53.04 N ATOM 977 CA VAL A 62 -2.473 -3.251 -1.228 1.00 2.40 C ATOM 978 C VAL A 62 -3.511 -2.489 -0.385 1.00 42.23 C ATOM 979 O VAL A 62 -4.015 -1.453 -0.808 1.00 12.21 O ATOM 980 CB VAL A 62 -1.055 -2.682 -0.920 1.00 4.14 C ATOM 981 CG1 VAL A 62 -0.734 -2.737 0.575 1.00 61.34 C ATOM 982 CG2 VAL A 62 0.015 -3.416 -1.727 1.00 35.14 C ATOM 0 H VAL A 62 -2.890 -2.173 -2.980 1.00 53.04 H new ATOM 0 HA VAL A 62 -2.505 -4.309 -0.969 1.00 2.40 H new ATOM 0 HB VAL A 62 -1.055 -1.634 -1.219 1.00 4.14 H new ATOM 0 HG11 VAL A 62 0.263 -2.331 0.748 1.00 61.34 H new ATOM 0 HG12 VAL A 62 -1.466 -2.147 1.126 1.00 61.34 H new ATOM 0 HG13 VAL A 62 -0.769 -3.771 0.917 1.00 61.34 H new ATOM 0 HG21 VAL A 62 0.995 -3.000 -1.494 1.00 35.14 H new ATOM 0 HG22 VAL A 62 0.000 -4.476 -1.472 1.00 35.14 H new ATOM 0 HG23 VAL A 62 -0.186 -3.296 -2.792 1.00 35.14 H new ATOM 992 N PHE A 63 -3.826 -3.004 0.801 1.00 2.42 N ATOM 993 CA PHE A 63 -4.759 -2.334 1.725 1.00 12.21 C ATOM 994 C PHE A 63 -4.052 -1.964 3.042 1.00 11.53 C ATOM 995 O PHE A 63 -2.960 -2.456 3.328 1.00 72.00 O ATOM 996 CB PHE A 63 -5.969 -3.235 2.019 1.00 31.54 C ATOM 997 CG PHE A 63 -6.837 -3.530 0.818 1.00 14.41 C ATOM 998 CD1 PHE A 63 -6.475 -4.504 -0.105 1.00 13.44 C ATOM 999 CD2 PHE A 63 -8.021 -2.835 0.616 1.00 20.11 C ATOM 1000 CE1 PHE A 63 -7.276 -4.775 -1.199 1.00 61.35 C ATOM 1001 CE2 PHE A 63 -8.825 -3.102 -0.476 1.00 70.13 C ATOM 1002 CZ PHE A 63 -8.452 -4.075 -1.383 1.00 71.45 C ATOM 0 H PHE A 63 -3.452 -3.885 1.152 1.00 2.42 H new ATOM 0 HA PHE A 63 -5.107 -1.419 1.245 1.00 12.21 H new ATOM 0 HB2 PHE A 63 -5.612 -4.178 2.434 1.00 31.54 H new ATOM 0 HB3 PHE A 63 -6.581 -2.761 2.786 1.00 31.54 H new ATOM 0 HD1 PHE A 63 -5.557 -5.056 0.034 1.00 13.44 H new ATOM 0 HD2 PHE A 63 -8.319 -2.074 1.322 1.00 20.11 H new ATOM 0 HE1 PHE A 63 -6.982 -5.534 -1.909 1.00 61.35 H new ATOM 0 HE2 PHE A 63 -9.743 -2.551 -0.620 1.00 70.13 H new ATOM 0 HZ PHE A 63 -9.080 -4.288 -2.236 1.00 71.45 H new ATOM 1012 N ARG A 64 -4.676 -1.102 3.838 1.00 2.03 N ATOM 1013 CA ARG A 64 -4.098 -0.644 5.113 1.00 74.42 C ATOM 1014 C ARG A 64 -4.747 -1.330 6.334 1.00 13.41 C ATOM 1015 O ARG A 64 -5.872 -1.814 6.272 1.00 62.03 O ATOM 1016 CB ARG A 64 -4.244 0.890 5.208 1.00 41.22 C ATOM 1017 CG ARG A 64 -4.074 1.468 6.616 1.00 70.51 C ATOM 1018 CD ARG A 64 -4.115 2.995 6.617 1.00 45.44 C ATOM 1019 NE ARG A 64 -4.387 3.543 7.947 1.00 31.32 N ATOM 1020 CZ ARG A 64 -3.476 3.890 8.821 1.00 23.02 C ATOM 1021 NH1 ARG A 64 -2.216 3.713 8.575 1.00 33.41 N ATOM 1022 NH2 ARG A 64 -3.840 4.412 9.944 1.00 1.50 N ATOM 0 H ARG A 64 -5.589 -0.699 3.627 1.00 2.03 H new ATOM 0 HA ARG A 64 -3.044 -0.921 5.128 1.00 74.42 H new ATOM 0 HB2 ARG A 64 -3.508 1.352 4.550 1.00 41.22 H new ATOM 0 HB3 ARG A 64 -5.228 1.171 4.832 1.00 41.22 H new ATOM 0 HG2 ARG A 64 -4.862 1.084 7.263 1.00 70.51 H new ATOM 0 HG3 ARG A 64 -3.126 1.131 7.034 1.00 70.51 H new ATOM 0 HD2 ARG A 64 -3.162 3.382 6.255 1.00 45.44 H new ATOM 0 HD3 ARG A 64 -4.882 3.336 5.922 1.00 45.44 H new ATOM 0 HE ARG A 64 -5.364 3.664 8.214 1.00 31.32 H new ATOM 0 HH11 ARG A 64 -1.922 3.298 7.691 1.00 33.41 H new ATOM 0 HH12 ARG A 64 -1.518 3.988 9.266 1.00 33.41 H new ATOM 0 HH21 ARG A 64 -4.830 4.551 10.145 1.00 1.50 H new ATOM 0 HH22 ARG A 64 -3.137 4.685 10.631 1.00 1.50 H new ATOM 1036 N ILE A 65 -4.008 -1.396 7.445 1.00 61.13 N ATOM 1037 CA ILE A 65 -4.565 -1.863 8.723 1.00 23.42 C ATOM 1038 C ILE A 65 -4.442 -0.780 9.803 1.00 54.21 C ATOM 1039 O ILE A 65 -3.387 -0.156 9.955 1.00 50.45 O ATOM 1040 CB ILE A 65 -3.869 -3.158 9.224 1.00 22.13 C ATOM 1041 CG1 ILE A 65 -4.088 -4.306 8.227 1.00 44.14 C ATOM 1042 CG2 ILE A 65 -4.375 -3.544 10.619 1.00 31.14 C ATOM 1043 CD1 ILE A 65 -3.582 -5.649 8.713 1.00 71.10 C ATOM 0 H ILE A 65 -3.023 -1.133 7.488 1.00 61.13 H new ATOM 0 HA ILE A 65 -5.617 -2.083 8.541 1.00 23.42 H new ATOM 0 HB ILE A 65 -2.798 -2.966 9.296 1.00 22.13 H new ATOM 0 HG12 ILE A 65 -5.153 -4.387 8.010 1.00 44.14 H new ATOM 0 HG13 ILE A 65 -3.590 -4.059 7.289 1.00 44.14 H new ATOM 0 HG21 ILE A 65 -3.874 -4.454 10.949 1.00 31.14 H new ATOM 0 HG22 ILE A 65 -4.161 -2.737 11.320 1.00 31.14 H new ATOM 0 HG23 ILE A 65 -5.451 -3.716 10.581 1.00 31.14 H new ATOM 0 HD11 ILE A 65 -3.774 -6.407 7.953 1.00 71.10 H new ATOM 0 HD12 ILE A 65 -2.510 -5.587 8.902 1.00 71.10 H new ATOM 0 HD13 ILE A 65 -4.098 -5.920 9.634 1.00 71.10 H new ATOM 1055 N GLU A 66 -5.531 -0.554 10.540 1.00 13.52 N ATOM 1056 CA GLU A 66 -5.536 0.397 11.662 1.00 64.24 C ATOM 1057 C GLU A 66 -6.600 0.009 12.701 1.00 15.21 C ATOM 1058 O GLU A 66 -7.583 -0.658 12.371 1.00 23.45 O ATOM 1059 CB GLU A 66 -5.776 1.831 11.163 1.00 31.03 C ATOM 1060 CG GLU A 66 -7.135 2.053 10.506 1.00 43.03 C ATOM 1061 CD GLU A 66 -7.354 3.504 10.103 1.00 54.14 C ATOM 1062 OE1 GLU A 66 -7.829 4.296 10.946 1.00 23.02 O ATOM 1063 OE2 GLU A 66 -7.039 3.862 8.950 1.00 44.05 O ATOM 0 H GLU A 66 -6.426 -1.017 10.382 1.00 13.52 H new ATOM 0 HA GLU A 66 -4.557 0.358 12.139 1.00 64.24 H new ATOM 0 HB2 GLU A 66 -5.677 2.516 12.005 1.00 31.03 H new ATOM 0 HB3 GLU A 66 -4.995 2.089 10.448 1.00 31.03 H new ATOM 0 HG2 GLU A 66 -7.218 1.417 9.624 1.00 43.03 H new ATOM 0 HG3 GLU A 66 -7.923 1.747 11.194 1.00 43.03 H new ATOM 1070 N ASP A 67 -6.397 0.421 13.961 1.00 61.32 N ATOM 1071 CA ASP A 67 -7.298 0.045 15.064 1.00 71.32 C ATOM 1072 C ASP A 67 -7.386 -1.493 15.198 1.00 73.22 C ATOM 1073 O ASP A 67 -8.387 -2.039 15.656 1.00 72.52 O ATOM 1074 CB ASP A 67 -8.691 0.665 14.830 1.00 44.52 C ATOM 1075 CG ASP A 67 -9.640 0.455 15.999 1.00 1.11 C ATOM 1076 OD1 ASP A 67 -9.303 0.873 17.126 1.00 12.25 O ATOM 1077 OD2 ASP A 67 -10.723 -0.139 15.801 1.00 0.30 O ATOM 0 H ASP A 67 -5.617 1.015 14.243 1.00 61.32 H new ATOM 0 HA ASP A 67 -6.897 0.433 16.000 1.00 71.32 H new ATOM 0 HB2 ASP A 67 -8.580 1.734 14.647 1.00 44.52 H new ATOM 0 HB3 ASP A 67 -9.129 0.231 13.931 1.00 44.52 H new ATOM 1082 N SER A 68 -6.306 -2.182 14.795 1.00 2.10 N ATOM 1083 CA SER A 68 -6.248 -3.660 14.808 1.00 63.40 C ATOM 1084 C SER A 68 -7.202 -4.282 13.772 1.00 12.42 C ATOM 1085 O SER A 68 -7.352 -5.500 13.706 1.00 2.31 O ATOM 1086 CB SER A 68 -6.558 -4.212 16.214 1.00 1.33 C ATOM 1087 OG SER A 68 -6.560 -5.636 16.243 1.00 40.34 O ATOM 0 H SER A 68 -5.453 -1.739 14.453 1.00 2.10 H new ATOM 0 HA SER A 68 -5.231 -3.941 14.536 1.00 63.40 H new ATOM 0 HB2 SER A 68 -5.818 -3.837 16.921 1.00 1.33 H new ATOM 0 HB3 SER A 68 -7.529 -3.842 16.542 1.00 1.33 H new ATOM 0 HG SER A 68 -6.853 -5.980 15.373 1.00 40.34 H new ATOM 1093 N ILE A 69 -7.825 -3.439 12.952 1.00 0.44 N ATOM 1094 CA ILE A 69 -8.805 -3.896 11.962 1.00 70.12 C ATOM 1095 C ILE A 69 -8.248 -3.821 10.529 1.00 14.24 C ATOM 1096 O ILE A 69 -7.756 -2.773 10.100 1.00 14.24 O ATOM 1097 CB ILE A 69 -10.105 -3.051 12.040 1.00 35.01 C ATOM 1098 CG1 ILE A 69 -10.690 -3.102 13.461 1.00 4.11 C ATOM 1099 CG2 ILE A 69 -11.132 -3.531 11.012 1.00 73.44 C ATOM 1100 CD1 ILE A 69 -11.013 -4.499 13.942 1.00 3.34 C ATOM 0 H ILE A 69 -7.670 -2.431 12.952 1.00 0.44 H new ATOM 0 HA ILE A 69 -9.027 -4.937 12.198 1.00 70.12 H new ATOM 0 HB ILE A 69 -9.856 -2.016 11.805 1.00 35.01 H new ATOM 0 HG12 ILE A 69 -9.981 -2.646 14.152 1.00 4.11 H new ATOM 0 HG13 ILE A 69 -11.598 -2.499 13.491 1.00 4.11 H new ATOM 0 HG21 ILE A 69 -12.034 -2.923 11.087 1.00 73.44 H new ATOM 0 HG22 ILE A 69 -10.714 -3.438 10.010 1.00 73.44 H new ATOM 0 HG23 ILE A 69 -11.381 -4.574 11.206 1.00 73.44 H new ATOM 0 HD11 ILE A 69 -11.421 -4.451 14.952 1.00 3.34 H new ATOM 0 HD12 ILE A 69 -11.746 -4.953 13.275 1.00 3.34 H new ATOM 0 HD13 ILE A 69 -10.105 -5.102 13.946 1.00 3.34 H new ATOM 1112 N PRO A 70 -8.305 -4.937 9.772 1.00 42.55 N ATOM 1113 CA PRO A 70 -7.940 -4.945 8.345 1.00 55.34 C ATOM 1114 C PRO A 70 -8.881 -4.064 7.504 1.00 21.14 C ATOM 1115 O PRO A 70 -10.053 -4.402 7.311 1.00 4.31 O ATOM 1116 CB PRO A 70 -8.076 -6.427 7.939 1.00 73.21 C ATOM 1117 CG PRO A 70 -8.076 -7.188 9.222 1.00 2.14 C ATOM 1118 CD PRO A 70 -8.708 -6.276 10.240 1.00 34.14 C ATOM 0 HA PRO A 70 -6.941 -4.541 8.177 1.00 55.34 H new ATOM 0 HB2 PRO A 70 -8.996 -6.599 7.380 1.00 73.21 H new ATOM 0 HB3 PRO A 70 -7.251 -6.737 7.298 1.00 73.21 H new ATOM 0 HG2 PRO A 70 -8.639 -8.116 9.126 1.00 2.14 H new ATOM 0 HG3 PRO A 70 -7.062 -7.459 9.516 1.00 2.14 H new ATOM 0 HD2 PRO A 70 -9.792 -6.387 10.265 1.00 34.14 H new ATOM 0 HD3 PRO A 70 -8.344 -6.479 11.247 1.00 34.14 H new ATOM 1126 N VAL A 71 -8.375 -2.933 7.019 1.00 71.24 N ATOM 1127 CA VAL A 71 -9.197 -1.989 6.258 1.00 3.44 C ATOM 1128 C VAL A 71 -9.344 -2.430 4.793 1.00 14.51 C ATOM 1129 O VAL A 71 -8.414 -2.325 3.999 1.00 12.21 O ATOM 1130 CB VAL A 71 -8.608 -0.556 6.314 1.00 12.55 C ATOM 1131 CG1 VAL A 71 -9.511 0.436 5.584 1.00 43.12 C ATOM 1132 CG2 VAL A 71 -8.381 -0.126 7.765 1.00 45.25 C ATOM 0 H VAL A 71 -7.403 -2.646 7.137 1.00 71.24 H new ATOM 0 HA VAL A 71 -10.183 -1.981 6.722 1.00 3.44 H new ATOM 0 HB VAL A 71 -7.644 -0.563 5.805 1.00 12.55 H new ATOM 0 HG11 VAL A 71 -9.075 1.433 5.638 1.00 43.12 H new ATOM 0 HG12 VAL A 71 -9.608 0.139 4.540 1.00 43.12 H new ATOM 0 HG13 VAL A 71 -10.495 0.445 6.052 1.00 43.12 H new ATOM 0 HG21 VAL A 71 -7.967 0.882 7.785 1.00 45.25 H new ATOM 0 HG22 VAL A 71 -9.330 -0.140 8.301 1.00 45.25 H new ATOM 0 HG23 VAL A 71 -7.684 -0.814 8.244 1.00 45.25 H new ATOM 1142 N LEU A 72 -10.518 -2.963 4.459 1.00 53.31 N ATOM 1143 CA LEU A 72 -10.822 -3.380 3.089 1.00 41.31 C ATOM 1144 C LEU A 72 -11.751 -2.363 2.409 1.00 64.33 C ATOM 1145 O LEU A 72 -12.905 -2.667 2.093 1.00 61.30 O ATOM 1146 CB LEU A 72 -11.477 -4.773 3.104 1.00 13.32 C ATOM 1147 CG LEU A 72 -10.715 -5.853 3.896 1.00 2.31 C ATOM 1148 CD1 LEU A 72 -11.482 -7.174 3.888 1.00 10.12 C ATOM 1149 CD2 LEU A 72 -9.303 -6.042 3.338 1.00 61.40 C ATOM 0 H LEU A 72 -11.278 -3.117 5.121 1.00 53.31 H new ATOM 0 HA LEU A 72 -9.893 -3.427 2.521 1.00 41.31 H new ATOM 0 HB2 LEU A 72 -12.480 -4.680 3.521 1.00 13.32 H new ATOM 0 HB3 LEU A 72 -11.591 -5.114 2.075 1.00 13.32 H new ATOM 0 HG LEU A 72 -10.629 -5.517 4.929 1.00 2.31 H new ATOM 0 HD11 LEU A 72 -10.925 -7.921 4.453 1.00 10.12 H new ATOM 0 HD12 LEU A 72 -12.461 -7.029 4.345 1.00 10.12 H new ATOM 0 HD13 LEU A 72 -11.608 -7.515 2.861 1.00 10.12 H new ATOM 0 HD21 LEU A 72 -8.784 -6.809 3.913 1.00 61.40 H new ATOM 0 HD22 LEU A 72 -9.362 -6.349 2.294 1.00 61.40 H new ATOM 0 HD23 LEU A 72 -8.755 -5.103 3.409 1.00 61.40 H new ATOM 1161 N LEU A 73 -11.250 -1.146 2.197 1.00 22.34 N ATOM 1162 CA LEU A 73 -12.068 -0.058 1.641 1.00 32.13 C ATOM 1163 C LEU A 73 -11.548 0.401 0.265 1.00 1.32 C ATOM 1164 O LEU A 73 -10.403 0.830 0.132 1.00 44.33 O ATOM 1165 CB LEU A 73 -12.101 1.131 2.614 1.00 64.30 C ATOM 1166 CG LEU A 73 -12.732 0.842 3.988 1.00 21.44 C ATOM 1167 CD1 LEU A 73 -12.696 2.087 4.875 1.00 64.11 C ATOM 1168 CD2 LEU A 73 -14.164 0.329 3.833 1.00 22.32 C ATOM 0 H LEU A 73 -10.285 -0.885 2.400 1.00 22.34 H new ATOM 0 HA LEU A 73 -13.079 -0.442 1.504 1.00 32.13 H new ATOM 0 HB2 LEU A 73 -11.080 1.481 2.768 1.00 64.30 H new ATOM 0 HB3 LEU A 73 -12.650 1.947 2.145 1.00 64.30 H new ATOM 0 HG LEU A 73 -12.144 0.063 4.472 1.00 21.44 H new ATOM 0 HD11 LEU A 73 -13.147 1.859 5.841 1.00 64.11 H new ATOM 0 HD12 LEU A 73 -11.662 2.399 5.022 1.00 64.11 H new ATOM 0 HD13 LEU A 73 -13.253 2.892 4.395 1.00 64.11 H new ATOM 0 HD21 LEU A 73 -14.588 0.132 4.817 1.00 22.32 H new ATOM 0 HD22 LEU A 73 -14.766 1.080 3.322 1.00 22.32 H new ATOM 0 HD23 LEU A 73 -14.160 -0.591 3.249 1.00 22.32 H new ATOM 1180 N PRO A 74 -12.409 0.377 -0.774 1.00 22.44 N ATOM 1181 CA PRO A 74 -12.012 0.755 -2.149 1.00 33.42 C ATOM 1182 C PRO A 74 -11.536 2.215 -2.267 1.00 73.04 C ATOM 1183 O PRO A 74 -11.113 2.657 -3.337 1.00 62.53 O ATOM 1184 CB PRO A 74 -13.296 0.526 -2.966 1.00 32.22 C ATOM 1185 CG PRO A 74 -14.400 0.585 -1.962 1.00 74.35 C ATOM 1186 CD PRO A 74 -13.833 -0.005 -0.700 1.00 2.10 C ATOM 0 HA PRO A 74 -11.159 0.171 -2.494 1.00 33.42 H new ATOM 0 HB2 PRO A 74 -13.418 1.290 -3.734 1.00 32.22 H new ATOM 0 HB3 PRO A 74 -13.275 -0.438 -3.475 1.00 32.22 H new ATOM 0 HG2 PRO A 74 -14.729 1.612 -1.801 1.00 74.35 H new ATOM 0 HG3 PRO A 74 -15.269 0.022 -2.302 1.00 74.35 H new ATOM 0 HD2 PRO A 74 -14.315 0.401 0.189 1.00 2.10 H new ATOM 0 HD3 PRO A 74 -13.961 -1.087 -0.666 1.00 2.10 H new ATOM 1194 N GLU A 75 -11.622 2.960 -1.167 1.00 64.41 N ATOM 1195 CA GLU A 75 -11.130 4.343 -1.121 1.00 42.42 C ATOM 1196 C GLU A 75 -9.612 4.411 -0.845 1.00 71.13 C ATOM 1197 O GLU A 75 -8.899 5.208 -1.464 1.00 64.41 O ATOM 1198 CB GLU A 75 -11.887 5.146 -0.044 1.00 41.43 C ATOM 1199 CG GLU A 75 -11.731 4.589 1.369 1.00 70.03 C ATOM 1200 CD GLU A 75 -12.367 5.473 2.435 1.00 23.43 C ATOM 1201 OE1 GLU A 75 -11.686 6.392 2.940 1.00 21.33 O ATOM 1202 OE2 GLU A 75 -13.546 5.251 2.774 1.00 73.10 O ATOM 0 H GLU A 75 -12.028 2.631 -0.291 1.00 64.41 H new ATOM 0 HA GLU A 75 -11.312 4.780 -2.103 1.00 42.42 H new ATOM 0 HB2 GLU A 75 -11.533 6.177 -0.058 1.00 41.43 H new ATOM 0 HB3 GLU A 75 -12.946 5.169 -0.300 1.00 41.43 H new ATOM 0 HG2 GLU A 75 -12.180 3.597 1.413 1.00 70.03 H new ATOM 0 HG3 GLU A 75 -10.671 4.469 1.591 1.00 70.03 H new ATOM 1209 N GLU A 76 -9.119 3.569 0.069 1.00 2.30 N ATOM 1210 CA GLU A 76 -7.738 3.692 0.570 1.00 3.34 C ATOM 1211 C GLU A 76 -6.754 2.698 -0.073 1.00 64.44 C ATOM 1212 O GLU A 76 -5.538 2.883 0.026 1.00 14.14 O ATOM 1213 CB GLU A 76 -7.720 3.578 2.109 1.00 52.31 C ATOM 1214 CG GLU A 76 -8.499 2.394 2.691 1.00 64.32 C ATOM 1215 CD GLU A 76 -7.802 1.052 2.513 1.00 14.33 C ATOM 1216 OE1 GLU A 76 -6.721 0.858 3.107 1.00 13.13 O ATOM 1217 OE2 GLU A 76 -8.347 0.188 1.799 1.00 24.23 O ATOM 0 H GLU A 76 -9.648 2.798 0.477 1.00 2.30 H new ATOM 0 HA GLU A 76 -7.386 4.681 0.275 1.00 3.34 H new ATOM 0 HB2 GLU A 76 -6.684 3.506 2.439 1.00 52.31 H new ATOM 0 HB3 GLU A 76 -8.125 4.499 2.529 1.00 52.31 H new ATOM 0 HG2 GLU A 76 -8.665 2.568 3.754 1.00 64.32 H new ATOM 0 HG3 GLU A 76 -9.480 2.349 2.218 1.00 64.32 H new ATOM 1224 N ALA A 77 -7.275 1.667 -0.731 1.00 65.42 N ATOM 1225 CA ALA A 77 -6.437 0.672 -1.419 1.00 51.55 C ATOM 1226 C ALA A 77 -5.383 1.320 -2.344 1.00 32.22 C ATOM 1227 O ALA A 77 -5.698 2.192 -3.155 1.00 4.53 O ATOM 1228 CB ALA A 77 -7.317 -0.287 -2.216 1.00 10.44 C ATOM 0 H ALA A 77 -8.277 1.492 -0.806 1.00 65.42 H new ATOM 0 HA ALA A 77 -5.892 0.123 -0.651 1.00 51.55 H new ATOM 0 HB1 ALA A 77 -6.690 -1.021 -2.723 1.00 10.44 H new ATOM 0 HB2 ALA A 77 -8.001 -0.800 -1.540 1.00 10.44 H new ATOM 0 HB3 ALA A 77 -7.889 0.273 -2.955 1.00 10.44 H new ATOM 1234 N ILE A 78 -4.132 0.885 -2.214 1.00 41.14 N ATOM 1235 CA ILE A 78 -3.023 1.395 -3.036 1.00 45.41 C ATOM 1236 C ILE A 78 -2.705 0.443 -4.208 1.00 41.11 C ATOM 1237 O ILE A 78 -2.857 -0.771 -4.092 1.00 52.31 O ATOM 1238 CB ILE A 78 -1.742 1.590 -2.179 1.00 13.33 C ATOM 1239 CG1 ILE A 78 -2.036 2.477 -0.952 1.00 3.00 C ATOM 1240 CG2 ILE A 78 -0.609 2.188 -3.016 1.00 42.42 C ATOM 1241 CD1 ILE A 78 -2.550 3.861 -1.295 1.00 63.11 C ATOM 0 H ILE A 78 -3.853 0.172 -1.540 1.00 41.14 H new ATOM 0 HA ILE A 78 -3.341 2.357 -3.438 1.00 45.41 H new ATOM 0 HB ILE A 78 -1.421 0.610 -1.826 1.00 13.33 H new ATOM 0 HG12 ILE A 78 -2.770 1.975 -0.322 1.00 3.00 H new ATOM 0 HG13 ILE A 78 -1.125 2.576 -0.362 1.00 3.00 H new ATOM 0 HG21 ILE A 78 0.276 2.314 -2.393 1.00 42.42 H new ATOM 0 HG22 ILE A 78 -0.377 1.519 -3.845 1.00 42.42 H new ATOM 0 HG23 ILE A 78 -0.918 3.157 -3.408 1.00 42.42 H new ATOM 0 HD11 ILE A 78 -2.732 4.420 -0.377 1.00 63.11 H new ATOM 0 HD12 ILE A 78 -1.809 4.385 -1.898 1.00 63.11 H new ATOM 0 HD13 ILE A 78 -3.480 3.775 -1.857 1.00 63.11 H new ATOM 1253 N ALA A 79 -2.260 0.999 -5.334 1.00 4.34 N ATOM 1254 CA ALA A 79 -1.883 0.187 -6.501 1.00 11.02 C ATOM 1255 C ALA A 79 -0.361 -0.053 -6.556 1.00 74.04 C ATOM 1256 O ALA A 79 0.422 0.897 -6.598 1.00 54.34 O ATOM 1257 CB ALA A 79 -2.359 0.859 -7.785 1.00 60.33 C ATOM 0 H ALA A 79 -2.150 2.004 -5.468 1.00 4.34 H new ATOM 0 HA ALA A 79 -2.369 -0.784 -6.404 1.00 11.02 H new ATOM 0 HB1 ALA A 79 -2.074 0.249 -8.642 1.00 60.33 H new ATOM 0 HB2 ALA A 79 -3.444 0.965 -7.760 1.00 60.33 H new ATOM 0 HB3 ALA A 79 -1.900 1.844 -7.872 1.00 60.33 H new ATOM 1263 N THR A 80 0.048 -1.327 -6.586 1.00 51.55 N ATOM 1264 CA THR A 80 1.478 -1.693 -6.586 1.00 32.31 C ATOM 1265 C THR A 80 2.220 -1.124 -7.803 1.00 44.21 C ATOM 1266 O THR A 80 3.361 -0.681 -7.694 1.00 53.10 O ATOM 1267 CB THR A 80 1.682 -3.228 -6.565 1.00 73.42 C ATOM 1268 OG1 THR A 80 1.073 -3.819 -7.724 1.00 55.21 O ATOM 1269 CG2 THR A 80 1.089 -3.849 -5.303 1.00 21.01 C ATOM 0 H THR A 80 -0.587 -2.125 -6.611 1.00 51.55 H new ATOM 0 HA THR A 80 1.891 -1.258 -5.676 1.00 32.31 H new ATOM 0 HB THR A 80 2.754 -3.424 -6.572 1.00 73.42 H new ATOM 0 HG1 THR A 80 0.100 -3.720 -7.668 1.00 55.21 H new ATOM 0 HG21 THR A 80 1.249 -4.927 -5.318 1.00 21.01 H new ATOM 0 HG22 THR A 80 1.575 -3.423 -4.425 1.00 21.01 H new ATOM 0 HG23 THR A 80 0.020 -3.641 -5.263 1.00 21.01 H new ATOM 1277 N ILE A 81 1.554 -1.126 -8.955 1.00 32.35 N ATOM 1278 CA ILE A 81 2.147 -0.630 -10.207 1.00 2.40 C ATOM 1279 C ILE A 81 2.537 0.864 -10.108 1.00 10.55 C ATOM 1280 O ILE A 81 3.342 1.361 -10.900 1.00 75.13 O ATOM 1281 CB ILE A 81 1.166 -0.838 -11.395 1.00 4.22 C ATOM 1282 CG1 ILE A 81 1.843 -0.511 -12.742 1.00 54.31 C ATOM 1283 CG2 ILE A 81 -0.092 0.010 -11.203 1.00 30.41 C ATOM 1284 CD1 ILE A 81 3.021 -1.407 -13.067 1.00 13.20 C ATOM 0 H ILE A 81 0.598 -1.466 -9.054 1.00 32.35 H new ATOM 0 HA ILE A 81 3.056 -1.205 -10.382 1.00 2.40 H new ATOM 0 HB ILE A 81 0.877 -1.889 -11.414 1.00 4.22 H new ATOM 0 HG12 ILE A 81 1.104 -0.594 -13.539 1.00 54.31 H new ATOM 0 HG13 ILE A 81 2.180 0.525 -12.727 1.00 54.31 H new ATOM 0 HG21 ILE A 81 -0.768 -0.147 -12.043 1.00 30.41 H new ATOM 0 HG22 ILE A 81 -0.589 -0.281 -10.278 1.00 30.41 H new ATOM 0 HG23 ILE A 81 0.184 1.063 -11.151 1.00 30.41 H new ATOM 0 HD11 ILE A 81 3.445 -1.117 -14.028 1.00 13.20 H new ATOM 0 HD12 ILE A 81 3.780 -1.306 -12.291 1.00 13.20 H new ATOM 0 HD13 ILE A 81 2.687 -2.443 -13.116 1.00 13.20 H new ATOM 1296 N GLN A 82 1.962 1.573 -9.133 1.00 51.25 N ATOM 1297 CA GLN A 82 2.258 2.999 -8.926 1.00 44.13 C ATOM 1298 C GLN A 82 3.414 3.196 -7.921 1.00 52.24 C ATOM 1299 O GLN A 82 3.986 4.285 -7.813 1.00 75.42 O ATOM 1300 CB GLN A 82 0.990 3.723 -8.431 1.00 11.42 C ATOM 1301 CG GLN A 82 1.126 5.242 -8.320 1.00 11.23 C ATOM 1302 CD GLN A 82 1.326 5.936 -9.666 1.00 30.01 C ATOM 1303 OE1 GLN A 82 1.976 6.975 -9.752 1.00 13.53 O ATOM 1304 NE2 GLN A 82 0.754 5.389 -10.721 1.00 73.21 N ATOM 0 H GLN A 82 1.288 1.185 -8.473 1.00 51.25 H new ATOM 0 HA GLN A 82 2.573 3.426 -9.878 1.00 44.13 H new ATOM 0 HB2 GLN A 82 0.168 3.494 -9.110 1.00 11.42 H new ATOM 0 HB3 GLN A 82 0.718 3.324 -7.454 1.00 11.42 H new ATOM 0 HG2 GLN A 82 0.233 5.645 -7.842 1.00 11.23 H new ATOM 0 HG3 GLN A 82 1.969 5.477 -7.670 1.00 11.23 H new ATOM 0 HE21 GLN A 82 0.220 4.526 -10.621 1.00 73.21 H new ATOM 0 HE22 GLN A 82 0.846 5.829 -11.637 1.00 73.21 H new ATOM 1313 N ILE A 83 3.763 2.132 -7.201 1.00 60.31 N ATOM 1314 CA ILE A 83 4.817 2.185 -6.184 1.00 72.34 C ATOM 1315 C ILE A 83 6.217 2.144 -6.825 1.00 11.54 C ATOM 1316 O ILE A 83 6.706 1.086 -7.214 1.00 64.01 O ATOM 1317 CB ILE A 83 4.667 1.020 -5.170 1.00 51.11 C ATOM 1318 CG1 ILE A 83 3.291 1.076 -4.482 1.00 23.23 C ATOM 1319 CG2 ILE A 83 5.790 1.043 -4.132 1.00 10.31 C ATOM 1320 CD1 ILE A 83 3.039 2.348 -3.698 1.00 33.45 C ATOM 0 H ILE A 83 3.329 1.215 -7.303 1.00 60.31 H new ATOM 0 HA ILE A 83 4.709 3.131 -5.653 1.00 72.34 H new ATOM 0 HB ILE A 83 4.740 0.083 -5.722 1.00 51.11 H new ATOM 0 HG12 ILE A 83 2.514 0.970 -5.239 1.00 23.23 H new ATOM 0 HG13 ILE A 83 3.199 0.224 -3.809 1.00 23.23 H new ATOM 0 HG21 ILE A 83 5.658 0.215 -3.435 1.00 10.31 H new ATOM 0 HG22 ILE A 83 6.752 0.945 -4.635 1.00 10.31 H new ATOM 0 HG23 ILE A 83 5.761 1.986 -3.585 1.00 10.31 H new ATOM 0 HD11 ILE A 83 2.048 2.306 -3.245 1.00 33.45 H new ATOM 0 HD12 ILE A 83 3.791 2.448 -2.916 1.00 33.45 H new ATOM 0 HD13 ILE A 83 3.096 3.206 -4.368 1.00 33.45 H new ATOM 1332 N ALA A 84 6.861 3.308 -6.915 1.00 14.52 N ATOM 1333 CA ALA A 84 8.165 3.446 -7.591 1.00 64.23 C ATOM 1334 C ALA A 84 9.278 2.574 -6.973 1.00 62.10 C ATOM 1335 O ALA A 84 10.316 2.355 -7.602 1.00 54.41 O ATOM 1336 CB ALA A 84 8.588 4.912 -7.602 1.00 45.31 C ATOM 0 H ALA A 84 6.502 4.180 -6.526 1.00 14.52 H new ATOM 0 HA ALA A 84 8.028 3.084 -8.610 1.00 64.23 H new ATOM 0 HB1 ALA A 84 9.552 5.009 -8.102 1.00 45.31 H new ATOM 0 HB2 ALA A 84 7.842 5.502 -8.134 1.00 45.31 H new ATOM 0 HB3 ALA A 84 8.673 5.274 -6.577 1.00 45.31 H new ATOM 1342 N ASN A 85 9.075 2.089 -5.746 1.00 3.05 N ATOM 1343 CA ASN A 85 10.073 1.233 -5.079 1.00 4.10 C ATOM 1344 C ASN A 85 9.671 -0.255 -5.080 1.00 71.31 C ATOM 1345 O ASN A 85 10.427 -1.105 -4.608 1.00 72.12 O ATOM 1346 CB ASN A 85 10.322 1.711 -3.639 1.00 14.24 C ATOM 1347 CG ASN A 85 11.229 2.930 -3.581 1.00 14.32 C ATOM 1348 OD1 ASN A 85 12.448 2.807 -3.526 1.00 24.13 O ATOM 1349 ND2 ASN A 85 10.648 4.112 -3.588 1.00 32.12 N ATOM 0 H ASN A 85 8.237 2.269 -5.193 1.00 3.05 H new ATOM 0 HA ASN A 85 10.995 1.321 -5.654 1.00 4.10 H new ATOM 0 HB2 ASN A 85 9.368 1.949 -3.168 1.00 14.24 H new ATOM 0 HB3 ASN A 85 10.769 0.901 -3.063 1.00 14.24 H new ATOM 0 HD21 ASN A 85 11.215 4.959 -3.547 1.00 32.12 H new ATOM 0 HD22 ASN A 85 9.631 4.180 -3.634 1.00 32.12 H new ATOM 1356 N PHE A 86 8.488 -0.568 -5.601 1.00 1.32 N ATOM 1357 CA PHE A 86 8.023 -1.956 -5.692 1.00 24.15 C ATOM 1358 C PHE A 86 8.818 -2.735 -6.759 1.00 31.05 C ATOM 1359 O PHE A 86 9.110 -2.196 -7.828 1.00 1.44 O ATOM 1360 CB PHE A 86 6.528 -1.971 -6.044 1.00 71.03 C ATOM 1361 CG PHE A 86 5.804 -3.205 -5.576 1.00 71.30 C ATOM 1362 CD1 PHE A 86 5.408 -3.310 -4.255 1.00 32.45 C ATOM 1363 CD2 PHE A 86 5.522 -4.252 -6.444 1.00 13.31 C ATOM 1364 CE1 PHE A 86 4.742 -4.435 -3.803 1.00 54.13 C ATOM 1365 CE2 PHE A 86 4.858 -5.379 -5.999 1.00 11.41 C ATOM 1366 CZ PHE A 86 4.469 -5.471 -4.676 1.00 43.02 C ATOM 0 H PHE A 86 7.830 0.119 -5.968 1.00 1.32 H new ATOM 0 HA PHE A 86 8.181 -2.440 -4.728 1.00 24.15 H new ATOM 0 HB2 PHE A 86 6.052 -1.094 -5.605 1.00 71.03 H new ATOM 0 HB3 PHE A 86 6.418 -1.885 -7.125 1.00 71.03 H new ATOM 0 HD1 PHE A 86 5.621 -2.504 -3.568 1.00 32.45 H new ATOM 0 HD2 PHE A 86 5.825 -4.184 -7.478 1.00 13.31 H new ATOM 0 HE1 PHE A 86 4.436 -4.504 -2.770 1.00 54.13 H new ATOM 0 HE2 PHE A 86 4.643 -6.186 -6.684 1.00 11.41 H new ATOM 0 HZ PHE A 86 3.952 -6.352 -4.325 1.00 43.02 H new