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 37 THR OG1 : rot 180:sc= 0.372 USER MOD Set 1.2: A 82 GLN : amide:sc= 0.0706 K(o=0.44,f=-0.41) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0571) USER MOD Single : A 30 ASN : amide:sc= 0.766 K(o=0.77,f=-6.1!) USER MOD Single : A 31 LYS NZ :NH3+ -142:sc= 1.2 (180deg=0.653) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.681 K(o=-0.68,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= -0.0195 USER MOD Single : A 46 GLN : amide:sc= 0.457 K(o=0.46,f=-2.9!) USER MOD Single : A 47 ASN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 48 GLN : amide:sc= -1.23 K(o=-1.2,f=-6!) 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 -76:sc= 0.804 USER MOD Single : A 60 LYS NZ :NH3+ -168:sc= -0.0111 (180deg=-0.142) USER MOD Single : A 61 GLN : amide:sc= -0.816 K(o=-0.82,f=-0.28) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -147:sc= 1.18 USER MOD Single : A 85 ASN : amide:sc= -0.544 X(o=-0.54,f=-0.73) USER MOD ----------------------------------------------------------------- ATOM 289 N LEU A 18 -7.232 -12.034 0.753 1.00 60.05 N ATOM 290 CA LEU A 18 -6.406 -10.959 1.312 1.00 45.34 C ATOM 291 C LEU A 18 -5.584 -11.458 2.508 1.00 70.14 C ATOM 292 O LEU A 18 -6.126 -12.029 3.457 1.00 23.21 O ATOM 293 CB LEU A 18 -7.288 -9.775 1.734 1.00 63.04 C ATOM 294 CG LEU A 18 -7.925 -8.987 0.578 1.00 44.34 C ATOM 295 CD1 LEU A 18 -8.917 -7.953 1.103 1.00 55.41 C ATOM 296 CD2 LEU A 18 -6.842 -8.313 -0.261 1.00 44.43 C ATOM 0 HA LEU A 18 -5.713 -10.629 0.538 1.00 45.34 H new ATOM 0 HB2 LEU A 18 -8.083 -10.147 2.380 1.00 63.04 H new ATOM 0 HB3 LEU A 18 -6.687 -9.090 2.331 1.00 63.04 H new ATOM 0 HG LEU A 18 -8.472 -9.687 -0.053 1.00 44.34 H new ATOM 0 HD11 LEU A 18 -9.353 -7.409 0.265 1.00 55.41 H new ATOM 0 HD12 LEU A 18 -9.707 -8.457 1.660 1.00 55.41 H new ATOM 0 HD13 LEU A 18 -8.400 -7.253 1.760 1.00 55.41 H new ATOM 0 HD21 LEU A 18 -7.306 -7.758 -1.076 1.00 44.43 H new ATOM 0 HD22 LEU A 18 -6.270 -7.628 0.365 1.00 44.43 H new ATOM 0 HD23 LEU A 18 -6.175 -9.071 -0.671 1.00 44.43 H new ATOM 308 N SER A 19 -4.276 -11.236 2.456 1.00 12.04 N ATOM 309 CA SER A 19 -3.366 -11.675 3.525 1.00 33.21 C ATOM 310 C SER A 19 -2.447 -10.533 3.975 1.00 31.21 C ATOM 311 O SER A 19 -2.417 -9.469 3.356 1.00 22.31 O ATOM 312 CB SER A 19 -2.518 -12.864 3.047 1.00 32.14 C ATOM 313 OG SER A 19 -3.318 -14.018 2.819 1.00 41.20 O ATOM 0 H SER A 19 -3.814 -10.754 1.685 1.00 12.04 H new ATOM 0 HA SER A 19 -3.974 -11.983 4.375 1.00 33.21 H new ATOM 0 HB2 SER A 19 -1.997 -12.594 2.128 1.00 32.14 H new ATOM 0 HB3 SER A 19 -1.755 -13.091 3.792 1.00 32.14 H new ATOM 0 HG SER A 19 -2.749 -14.756 2.514 1.00 41.20 H new ATOM 319 N LEU A 20 -1.705 -10.753 5.058 1.00 70.22 N ATOM 320 CA LEU A 20 -0.763 -9.751 5.562 1.00 45.44 C ATOM 321 C LEU A 20 0.408 -9.581 4.574 1.00 43.31 C ATOM 322 O LEU A 20 1.076 -10.555 4.215 1.00 32.33 O ATOM 323 CB LEU A 20 -0.253 -10.162 6.960 1.00 3.30 C ATOM 324 CG LEU A 20 0.278 -9.028 7.866 1.00 12.02 C ATOM 325 CD1 LEU A 20 1.586 -8.443 7.340 1.00 71.54 C ATOM 326 CD2 LEU A 20 -0.772 -7.930 8.024 1.00 30.32 C ATOM 0 H LEU A 20 -1.736 -11.614 5.604 1.00 70.22 H new ATOM 0 HA LEU A 20 -1.273 -8.792 5.653 1.00 45.44 H new ATOM 0 HB2 LEU A 20 -1.066 -10.664 7.485 1.00 3.30 H new ATOM 0 HB3 LEU A 20 0.543 -10.895 6.830 1.00 3.30 H new ATOM 0 HG LEU A 20 0.484 -9.463 8.844 1.00 12.02 H new ATOM 0 HD11 LEU A 20 1.924 -7.649 8.007 1.00 71.54 H new ATOM 0 HD12 LEU A 20 2.343 -9.226 7.295 1.00 71.54 H new ATOM 0 HD13 LEU A 20 1.427 -8.035 6.342 1.00 71.54 H new ATOM 0 HD21 LEU A 20 -0.379 -7.141 8.665 1.00 30.32 H new ATOM 0 HD22 LEU A 20 -1.015 -7.515 7.046 1.00 30.32 H new ATOM 0 HD23 LEU A 20 -1.672 -8.349 8.474 1.00 30.32 H new ATOM 338 N LEU A 21 0.635 -8.346 4.135 1.00 20.30 N ATOM 339 CA LEU A 21 1.695 -8.035 3.165 1.00 54.12 C ATOM 340 C LEU A 21 3.090 -8.408 3.696 1.00 71.11 C ATOM 341 O LEU A 21 3.448 -8.078 4.829 1.00 23.13 O ATOM 342 CB LEU A 21 1.642 -6.542 2.803 1.00 61.33 C ATOM 343 CG LEU A 21 2.737 -6.041 1.842 1.00 24.32 C ATOM 344 CD1 LEU A 21 2.705 -6.799 0.516 1.00 14.31 C ATOM 345 CD2 LEU A 21 2.594 -4.540 1.604 1.00 31.11 C ATOM 0 H LEU A 21 0.096 -7.534 4.436 1.00 20.30 H new ATOM 0 HA LEU A 21 1.520 -8.635 2.272 1.00 54.12 H new ATOM 0 HB2 LEU A 21 0.670 -6.331 2.357 1.00 61.33 H new ATOM 0 HB3 LEU A 21 1.702 -5.963 3.724 1.00 61.33 H new ATOM 0 HG LEU A 21 3.703 -6.231 2.310 1.00 24.32 H new ATOM 0 HD11 LEU A 21 3.490 -6.421 -0.138 1.00 14.31 H new ATOM 0 HD12 LEU A 21 2.867 -7.861 0.700 1.00 14.31 H new ATOM 0 HD13 LEU A 21 1.735 -6.657 0.039 1.00 14.31 H new ATOM 0 HD21 LEU A 21 3.376 -4.204 0.923 1.00 31.11 H new ATOM 0 HD22 LEU A 21 1.617 -4.332 1.167 1.00 31.11 H new ATOM 0 HD23 LEU A 21 2.687 -4.011 2.552 1.00 31.11 H new ATOM 357 N GLU A 22 3.868 -9.106 2.869 1.00 14.44 N ATOM 358 CA GLU A 22 5.247 -9.474 3.216 1.00 44.11 C ATOM 359 C GLU A 22 6.057 -8.243 3.651 1.00 12.31 C ATOM 360 O GLU A 22 6.064 -7.223 2.964 1.00 13.31 O ATOM 361 CB GLU A 22 5.925 -10.163 2.020 1.00 25.50 C ATOM 362 CG GLU A 22 7.388 -10.539 2.255 1.00 33.14 C ATOM 363 CD GLU A 22 7.589 -11.382 3.505 1.00 51.35 C ATOM 364 OE1 GLU A 22 7.175 -12.560 3.513 1.00 23.45 O ATOM 365 OE2 GLU A 22 8.164 -10.865 4.486 1.00 52.41 O ATOM 0 H GLU A 22 3.568 -9.431 1.950 1.00 14.44 H new ATOM 0 HA GLU A 22 5.213 -10.168 4.056 1.00 44.11 H new ATOM 0 HB2 GLU A 22 5.366 -11.065 1.771 1.00 25.50 H new ATOM 0 HB3 GLU A 22 5.867 -9.503 1.155 1.00 25.50 H new ATOM 0 HG2 GLU A 22 7.761 -11.087 1.390 1.00 33.14 H new ATOM 0 HG3 GLU A 22 7.983 -9.629 2.337 1.00 33.14 H new ATOM 372 N SER A 23 6.748 -8.357 4.786 1.00 25.33 N ATOM 373 CA SER A 23 7.508 -7.234 5.367 1.00 10.33 C ATOM 374 C SER A 23 8.464 -6.589 4.353 1.00 50.10 C ATOM 375 O SER A 23 8.593 -5.366 4.294 1.00 34.02 O ATOM 376 CB SER A 23 8.308 -7.712 6.586 1.00 23.22 C ATOM 377 OG SER A 23 9.071 -6.658 7.158 1.00 5.22 O ATOM 0 H SER A 23 6.801 -9.219 5.329 1.00 25.33 H new ATOM 0 HA SER A 23 6.781 -6.479 5.667 1.00 10.33 H new ATOM 0 HB2 SER A 23 7.626 -8.115 7.334 1.00 23.22 H new ATOM 0 HB3 SER A 23 8.973 -8.524 6.290 1.00 23.22 H new ATOM 0 HG SER A 23 9.567 -6.996 7.933 1.00 5.22 H new ATOM 383 N LYS A 24 9.117 -7.419 3.545 1.00 64.41 N ATOM 384 CA LYS A 24 10.058 -6.932 2.529 1.00 51.45 C ATOM 385 C LYS A 24 9.338 -6.120 1.436 1.00 71.03 C ATOM 386 O LYS A 24 9.916 -5.217 0.832 1.00 53.42 O ATOM 387 CB LYS A 24 10.822 -8.113 1.920 1.00 1.21 C ATOM 388 CG LYS A 24 11.494 -8.992 2.972 1.00 45.43 C ATOM 389 CD LYS A 24 12.499 -8.204 3.816 1.00 53.13 C ATOM 390 CE LYS A 24 12.920 -8.968 5.065 1.00 34.44 C ATOM 391 NZ LYS A 24 13.424 -10.329 4.751 1.00 11.43 N ATOM 0 H LYS A 24 9.015 -8.434 3.570 1.00 64.41 H new ATOM 0 HA LYS A 24 10.769 -6.262 3.012 1.00 51.45 H new ATOM 0 HB2 LYS A 24 10.134 -8.720 1.332 1.00 1.21 H new ATOM 0 HB3 LYS A 24 11.579 -7.734 1.233 1.00 1.21 H new ATOM 0 HG2 LYS A 24 10.734 -9.425 3.623 1.00 45.43 H new ATOM 0 HG3 LYS A 24 12.003 -9.821 2.481 1.00 45.43 H new ATOM 0 HD2 LYS A 24 13.380 -7.979 3.215 1.00 53.13 H new ATOM 0 HD3 LYS A 24 12.059 -7.250 4.106 1.00 53.13 H new ATOM 0 HE2 LYS A 24 13.696 -8.407 5.587 1.00 34.44 H new ATOM 0 HE3 LYS A 24 12.071 -9.045 5.744 1.00 34.44 H new ATOM 0 HZ1 LYS A 24 13.853 -10.745 5.602 1.00 11.43 H new ATOM 0 HZ2 LYS A 24 12.634 -10.927 4.434 1.00 11.43 H new ATOM 0 HZ3 LYS A 24 14.138 -10.269 3.997 1.00 11.43 H new ATOM 405 N GLY A 25 8.077 -6.464 1.176 1.00 14.10 N ATOM 406 CA GLY A 25 7.237 -5.642 0.310 1.00 2.34 C ATOM 407 C GLY A 25 6.732 -4.388 1.023 1.00 50.14 C ATOM 408 O GLY A 25 6.754 -3.289 0.469 1.00 21.14 O ATOM 0 H GLY A 25 7.620 -7.296 1.548 1.00 14.10 H new ATOM 0 HA2 GLY A 25 7.803 -5.352 -0.575 1.00 2.34 H new ATOM 0 HA3 GLY A 25 6.386 -6.230 -0.034 1.00 2.34 H new ATOM 412 N LEU A 26 6.298 -4.565 2.272 1.00 22.05 N ATOM 413 CA LEU A 26 5.743 -3.479 3.087 1.00 15.13 C ATOM 414 C LEU A 26 6.719 -2.300 3.224 1.00 71.11 C ATOM 415 O LEU A 26 6.307 -1.130 3.215 1.00 73.43 O ATOM 416 CB LEU A 26 5.367 -4.020 4.473 1.00 51.42 C ATOM 417 CG LEU A 26 4.740 -3.002 5.440 1.00 53.11 C ATOM 418 CD1 LEU A 26 3.441 -2.438 4.869 1.00 31.15 C ATOM 419 CD2 LEU A 26 4.498 -3.644 6.803 1.00 13.55 C ATOM 0 H LEU A 26 6.321 -5.466 2.749 1.00 22.05 H new ATOM 0 HA LEU A 26 4.854 -3.102 2.582 1.00 15.13 H new ATOM 0 HB2 LEU A 26 4.669 -4.847 4.343 1.00 51.42 H new ATOM 0 HB3 LEU A 26 6.264 -4.430 4.938 1.00 51.42 H new ATOM 0 HG LEU A 26 5.438 -2.174 5.567 1.00 53.11 H new ATOM 0 HD11 LEU A 26 3.016 -1.720 5.571 1.00 31.15 H new ATOM 0 HD12 LEU A 26 3.646 -1.941 3.921 1.00 31.15 H new ATOM 0 HD13 LEU A 26 2.732 -3.250 4.707 1.00 31.15 H new ATOM 0 HD21 LEU A 26 4.054 -2.911 7.477 1.00 13.55 H new ATOM 0 HD22 LEU A 26 3.821 -4.491 6.691 1.00 13.55 H new ATOM 0 HD23 LEU A 26 5.446 -3.989 7.216 1.00 13.55 H new ATOM 431 N GLU A 27 8.011 -2.601 3.358 1.00 11.45 N ATOM 432 CA GLU A 27 9.025 -1.548 3.409 1.00 32.30 C ATOM 433 C GLU A 27 8.934 -0.666 2.156 1.00 24.41 C ATOM 434 O GLU A 27 8.976 0.557 2.246 1.00 0.21 O ATOM 435 CB GLU A 27 10.449 -2.127 3.550 1.00 51.24 C ATOM 436 CG GLU A 27 11.014 -2.744 2.269 1.00 63.52 C ATOM 437 CD GLU A 27 12.471 -3.157 2.398 1.00 3.11 C ATOM 438 OE1 GLU A 27 13.355 -2.315 2.130 1.00 2.02 O ATOM 439 OE2 GLU A 27 12.742 -4.316 2.773 1.00 64.14 O ATOM 0 H GLU A 27 8.376 -3.550 3.432 1.00 11.45 H new ATOM 0 HA GLU A 27 8.827 -0.942 4.293 1.00 32.30 H new ATOM 0 HB2 GLU A 27 11.119 -1.334 3.882 1.00 51.24 H new ATOM 0 HB3 GLU A 27 10.443 -2.887 4.332 1.00 51.24 H new ATOM 0 HG2 GLU A 27 10.418 -3.616 1.999 1.00 63.52 H new ATOM 0 HG3 GLU A 27 10.917 -2.027 1.454 1.00 63.52 H new ATOM 446 N ALA A 28 8.757 -1.295 0.992 1.00 71.40 N ATOM 447 CA ALA A 28 8.687 -0.571 -0.283 1.00 42.21 C ATOM 448 C ALA A 28 7.531 0.438 -0.289 1.00 12.25 C ATOM 449 O ALA A 28 7.661 1.542 -0.831 1.00 5.14 O ATOM 450 CB ALA A 28 8.547 -1.554 -1.438 1.00 64.41 C ATOM 0 H ALA A 28 8.659 -2.306 0.904 1.00 71.40 H new ATOM 0 HA ALA A 28 9.614 -0.012 -0.407 1.00 42.21 H new ATOM 0 HB1 ALA A 28 8.496 -1.005 -2.379 1.00 64.41 H new ATOM 0 HB2 ALA A 28 9.408 -2.222 -1.454 1.00 64.41 H new ATOM 0 HB3 ALA A 28 7.636 -2.139 -1.309 1.00 64.41 H new ATOM 456 N LEU A 29 6.408 0.055 0.322 1.00 33.10 N ATOM 457 CA LEU A 29 5.249 0.950 0.461 1.00 23.24 C ATOM 458 C LEU A 29 5.617 2.201 1.272 1.00 42.14 C ATOM 459 O LEU A 29 5.442 3.327 0.806 1.00 22.13 O ATOM 460 CB LEU A 29 4.072 0.221 1.142 1.00 43.33 C ATOM 461 CG LEU A 29 3.244 -0.724 0.245 1.00 4.04 C ATOM 462 CD1 LEU A 29 2.513 0.063 -0.840 1.00 45.14 C ATOM 463 CD2 LEU A 29 4.118 -1.810 -0.376 1.00 73.12 C ATOM 0 H LEU A 29 6.273 -0.870 0.730 1.00 33.10 H new ATOM 0 HA LEU A 29 4.946 1.255 -0.541 1.00 23.24 H new ATOM 0 HB2 LEU A 29 4.465 -0.358 1.978 1.00 43.33 H new ATOM 0 HB3 LEU A 29 3.401 0.971 1.561 1.00 43.33 H new ATOM 0 HG LEU A 29 2.502 -1.213 0.876 1.00 4.04 H new ATOM 0 HD11 LEU A 29 1.936 -0.623 -1.460 1.00 45.14 H new ATOM 0 HD12 LEU A 29 1.841 0.785 -0.376 1.00 45.14 H new ATOM 0 HD13 LEU A 29 3.239 0.589 -1.460 1.00 45.14 H new ATOM 0 HD21 LEU A 29 3.504 -2.458 -1.001 1.00 73.12 H new ATOM 0 HD22 LEU A 29 4.895 -1.348 -0.985 1.00 73.12 H new ATOM 0 HD23 LEU A 29 4.581 -2.401 0.414 1.00 73.12 H new ATOM 475 N ASN A 30 6.158 1.996 2.473 1.00 63.24 N ATOM 476 CA ASN A 30 6.538 3.114 3.350 1.00 41.41 C ATOM 477 C ASN A 30 7.665 3.965 2.734 1.00 40.34 C ATOM 478 O ASN A 30 7.639 5.195 2.797 1.00 61.35 O ATOM 479 CB ASN A 30 6.951 2.591 4.729 1.00 4.42 C ATOM 480 CG ASN A 30 5.776 1.995 5.486 1.00 13.45 C ATOM 481 OD1 ASN A 30 5.062 2.697 6.191 1.00 5.33 O ATOM 482 ND2 ASN A 30 5.559 0.700 5.345 1.00 2.55 N ATOM 0 H ASN A 30 6.344 1.072 2.863 1.00 63.24 H new ATOM 0 HA ASN A 30 5.666 3.759 3.462 1.00 41.41 H new ATOM 0 HB2 ASN A 30 7.728 1.836 4.613 1.00 4.42 H new ATOM 0 HB3 ASN A 30 7.382 3.405 5.311 1.00 4.42 H new ATOM 0 HD21 ASN A 30 4.779 0.258 5.831 1.00 2.55 H new ATOM 0 HD22 ASN A 30 6.172 0.142 4.750 1.00 2.55 H new ATOM 489 N LYS A 31 8.646 3.300 2.131 1.00 3.24 N ATOM 490 CA LYS A 31 9.732 3.981 1.416 1.00 32.23 C ATOM 491 C LYS A 31 9.174 4.833 0.261 1.00 51.15 C ATOM 492 O LYS A 31 9.663 5.929 -0.021 1.00 30.23 O ATOM 493 CB LYS A 31 10.737 2.938 0.889 1.00 15.11 C ATOM 494 CG LYS A 31 11.452 2.167 2.001 1.00 1.24 C ATOM 495 CD LYS A 31 11.982 0.808 1.528 1.00 2.24 C ATOM 496 CE LYS A 31 13.100 0.925 0.504 1.00 75.55 C ATOM 497 NZ LYS A 31 13.595 -0.413 0.076 1.00 55.31 N ATOM 0 H LYS A 31 8.715 2.282 2.121 1.00 3.24 H new ATOM 0 HA LYS A 31 10.245 4.651 2.106 1.00 32.23 H new ATOM 0 HB2 LYS A 31 10.212 2.231 0.246 1.00 15.11 H new ATOM 0 HB3 LYS A 31 11.480 3.441 0.270 1.00 15.11 H new ATOM 0 HG2 LYS A 31 12.281 2.765 2.378 1.00 1.24 H new ATOM 0 HG3 LYS A 31 10.765 2.015 2.833 1.00 1.24 H new ATOM 0 HD2 LYS A 31 12.344 0.247 2.389 1.00 2.24 H new ATOM 0 HD3 LYS A 31 11.161 0.235 1.096 1.00 2.24 H new ATOM 0 HE2 LYS A 31 12.741 1.476 -0.365 1.00 75.55 H new ATOM 0 HE3 LYS A 31 13.924 1.500 0.928 1.00 75.55 H new ATOM 0 HZ1 LYS A 31 14.627 -0.378 -0.050 1.00 55.31 H new ATOM 0 HZ2 LYS A 31 13.359 -1.119 0.802 1.00 55.31 H new ATOM 0 HZ3 LYS A 31 13.145 -0.678 -0.824 1.00 55.31 H new ATOM 511 N ALA A 32 8.125 4.327 -0.394 1.00 43.15 N ATOM 512 CA ALA A 32 7.453 5.064 -1.472 1.00 53.20 C ATOM 513 C ALA A 32 6.601 6.217 -0.916 1.00 64.22 C ATOM 514 O ALA A 32 6.420 7.246 -1.576 1.00 60.33 O ATOM 515 CB ALA A 32 6.602 4.117 -2.306 1.00 64.02 C ATOM 0 H ALA A 32 7.722 3.411 -0.198 1.00 43.15 H new ATOM 0 HA ALA A 32 8.219 5.501 -2.112 1.00 53.20 H new ATOM 0 HB1 ALA A 32 6.109 4.676 -3.102 1.00 64.02 H new ATOM 0 HB2 ALA A 32 7.237 3.347 -2.743 1.00 64.02 H new ATOM 0 HB3 ALA A 32 5.849 3.649 -1.671 1.00 64.02 H new ATOM 521 N ILE A 33 6.068 6.032 0.292 1.00 21.55 N ATOM 522 CA ILE A 33 5.337 7.094 0.997 1.00 14.04 C ATOM 523 C ILE A 33 6.256 8.292 1.278 1.00 54.42 C ATOM 524 O ILE A 33 5.921 9.430 0.958 1.00 51.35 O ATOM 525 CB ILE A 33 4.726 6.571 2.329 1.00 15.43 C ATOM 526 CG1 ILE A 33 3.586 5.578 2.035 1.00 53.43 C ATOM 527 CG2 ILE A 33 4.232 7.727 3.201 1.00 51.41 C ATOM 528 CD1 ILE A 33 2.957 4.966 3.271 1.00 73.43 C ATOM 0 H ILE A 33 6.127 5.154 0.807 1.00 21.55 H new ATOM 0 HA ILE A 33 4.522 7.417 0.349 1.00 14.04 H new ATOM 0 HB ILE A 33 5.506 6.051 2.884 1.00 15.43 H new ATOM 0 HG12 ILE A 33 2.812 6.090 1.464 1.00 53.43 H new ATOM 0 HG13 ILE A 33 3.971 4.777 1.403 1.00 53.43 H new ATOM 0 HG21 ILE A 33 3.810 7.331 4.125 1.00 51.41 H new ATOM 0 HG22 ILE A 33 5.067 8.387 3.437 1.00 51.41 H new ATOM 0 HG23 ILE A 33 3.467 8.287 2.663 1.00 51.41 H new ATOM 0 HD11 ILE A 33 2.164 4.280 2.974 1.00 73.43 H new ATOM 0 HD12 ILE A 33 3.716 4.422 3.834 1.00 73.43 H new ATOM 0 HD13 ILE A 33 2.538 5.756 3.895 1.00 73.43 H new ATOM 540 N VAL A 34 7.430 8.019 1.852 1.00 5.30 N ATOM 541 CA VAL A 34 8.434 9.061 2.096 1.00 34.43 C ATOM 542 C VAL A 34 8.849 9.738 0.779 1.00 54.20 C ATOM 543 O VAL A 34 9.094 10.946 0.727 1.00 41.13 O ATOM 544 CB VAL A 34 9.688 8.473 2.792 1.00 52.34 C ATOM 545 CG1 VAL A 34 10.738 9.554 3.039 1.00 64.53 C ATOM 546 CG2 VAL A 34 9.303 7.779 4.098 1.00 71.14 C ATOM 0 H VAL A 34 7.710 7.087 2.157 1.00 5.30 H new ATOM 0 HA VAL A 34 7.982 9.804 2.753 1.00 34.43 H new ATOM 0 HB VAL A 34 10.126 7.730 2.126 1.00 52.34 H new ATOM 0 HG11 VAL A 34 11.606 9.113 3.528 1.00 64.53 H new ATOM 0 HG12 VAL A 34 11.041 9.991 2.088 1.00 64.53 H new ATOM 0 HG13 VAL A 34 10.317 10.331 3.678 1.00 64.53 H new ATOM 0 HG21 VAL A 34 10.197 7.373 4.571 1.00 71.14 H new ATOM 0 HG22 VAL A 34 8.833 8.499 4.768 1.00 71.14 H new ATOM 0 HG23 VAL A 34 8.604 6.969 3.888 1.00 71.14 H new ATOM 556 N SER A 35 8.923 8.938 -0.285 1.00 71.44 N ATOM 557 CA SER A 35 9.201 9.456 -1.632 1.00 44.41 C ATOM 558 C SER A 35 8.045 10.332 -2.144 1.00 15.33 C ATOM 559 O SER A 35 8.261 11.293 -2.886 1.00 24.10 O ATOM 560 CB SER A 35 9.447 8.297 -2.606 1.00 63.32 C ATOM 561 OG SER A 35 9.774 8.771 -3.904 1.00 21.12 O ATOM 0 H SER A 35 8.795 7.927 -0.244 1.00 71.44 H new ATOM 0 HA SER A 35 10.097 10.074 -1.573 1.00 44.41 H new ATOM 0 HB2 SER A 35 10.256 7.671 -2.231 1.00 63.32 H new ATOM 0 HB3 SER A 35 8.557 7.670 -2.660 1.00 63.32 H new ATOM 0 HG SER A 35 9.927 8.009 -4.502 1.00 21.12 H new ATOM 567 N GLY A 36 6.823 10.012 -1.721 1.00 72.42 N ATOM 568 CA GLY A 36 5.653 10.787 -2.128 1.00 20.25 C ATOM 569 C GLY A 36 5.089 10.377 -3.488 1.00 23.11 C ATOM 570 O GLY A 36 4.588 11.215 -4.240 1.00 10.55 O ATOM 0 H GLY A 36 6.618 9.228 -1.102 1.00 72.42 H new ATOM 0 HA2 GLY A 36 4.874 10.677 -1.373 1.00 20.25 H new ATOM 0 HA3 GLY A 36 5.920 11.843 -2.159 1.00 20.25 H new ATOM 574 N THR A 37 5.166 9.085 -3.807 1.00 40.25 N ATOM 575 CA THR A 37 4.631 8.564 -5.081 1.00 42.52 C ATOM 576 C THR A 37 3.409 7.660 -4.863 1.00 31.42 C ATOM 577 O THR A 37 2.725 7.278 -5.814 1.00 71.11 O ATOM 578 CB THR A 37 5.704 7.775 -5.877 1.00 64.41 C ATOM 579 OG1 THR A 37 5.138 7.248 -7.090 1.00 75.23 O ATOM 580 CG2 THR A 37 6.282 6.630 -5.047 1.00 32.32 C ATOM 0 H THR A 37 5.590 8.376 -3.209 1.00 40.25 H new ATOM 0 HA THR A 37 4.328 9.438 -5.658 1.00 42.52 H new ATOM 0 HB THR A 37 6.510 8.468 -6.120 1.00 64.41 H new ATOM 0 HG1 THR A 37 5.825 6.754 -7.584 1.00 75.23 H new ATOM 0 HG21 THR A 37 7.031 6.097 -5.633 1.00 32.32 H new ATOM 0 HG22 THR A 37 6.745 7.032 -4.146 1.00 32.32 H new ATOM 0 HG23 THR A 37 5.483 5.943 -4.769 1.00 32.32 H new ATOM 588 N VAL A 38 3.126 7.323 -3.607 1.00 55.40 N ATOM 589 CA VAL A 38 1.997 6.443 -3.288 1.00 34.50 C ATOM 590 C VAL A 38 0.650 7.157 -3.473 1.00 34.31 C ATOM 591 O VAL A 38 0.179 7.867 -2.583 1.00 4.42 O ATOM 592 CB VAL A 38 2.086 5.896 -1.839 1.00 53.40 C ATOM 593 CG1 VAL A 38 0.897 4.991 -1.512 1.00 30.54 C ATOM 594 CG2 VAL A 38 3.397 5.149 -1.634 1.00 72.44 C ATOM 0 H VAL A 38 3.657 7.642 -2.796 1.00 55.40 H new ATOM 0 HA VAL A 38 2.055 5.608 -3.986 1.00 34.50 H new ATOM 0 HB VAL A 38 2.055 6.746 -1.157 1.00 53.40 H new ATOM 0 HG11 VAL A 38 0.989 4.624 -0.490 1.00 30.54 H new ATOM 0 HG12 VAL A 38 -0.029 5.557 -1.612 1.00 30.54 H new ATOM 0 HG13 VAL A 38 0.883 4.146 -2.201 1.00 30.54 H new ATOM 0 HG21 VAL A 38 3.445 4.771 -0.613 1.00 72.44 H new ATOM 0 HG22 VAL A 38 3.453 4.314 -2.333 1.00 72.44 H new ATOM 0 HG23 VAL A 38 4.233 5.826 -1.810 1.00 72.44 H new ATOM 604 N GLN A 39 0.047 6.985 -4.646 1.00 10.45 N ATOM 605 CA GLN A 39 -1.292 7.517 -4.903 1.00 5.44 C ATOM 606 C GLN A 39 -2.367 6.581 -4.335 1.00 45.14 C ATOM 607 O GLN A 39 -2.534 5.452 -4.803 1.00 13.23 O ATOM 608 CB GLN A 39 -1.531 7.722 -6.408 1.00 14.03 C ATOM 609 CG GLN A 39 -0.571 8.706 -7.065 1.00 75.23 C ATOM 610 CD GLN A 39 -0.919 8.963 -8.523 1.00 72.11 C ATOM 611 OE1 GLN A 39 -1.688 9.869 -8.844 1.00 72.20 O ATOM 612 NE2 GLN A 39 -0.370 8.162 -9.415 1.00 10.34 N ATOM 0 H GLN A 39 0.461 6.484 -5.432 1.00 10.45 H new ATOM 0 HA GLN A 39 -1.360 8.484 -4.405 1.00 5.44 H new ATOM 0 HB2 GLN A 39 -1.448 6.759 -6.912 1.00 14.03 H new ATOM 0 HB3 GLN A 39 -2.552 8.073 -6.558 1.00 14.03 H new ATOM 0 HG2 GLN A 39 -0.589 9.648 -6.518 1.00 75.23 H new ATOM 0 HG3 GLN A 39 0.445 8.318 -6.999 1.00 75.23 H new ATOM 0 HE21 GLN A 39 0.263 7.421 -9.114 1.00 10.34 H new ATOM 0 HE22 GLN A 39 -0.578 8.283 -10.406 1.00 10.34 H new ATOM 621 N ARG A 40 -3.078 7.049 -3.317 1.00 42.13 N ATOM 622 CA ARG A 40 -4.204 6.303 -2.752 1.00 61.23 C ATOM 623 C ARG A 40 -5.306 6.149 -3.820 1.00 32.04 C ATOM 624 O ARG A 40 -5.449 7.016 -4.680 1.00 25.31 O ATOM 625 CB ARG A 40 -4.723 7.053 -1.510 1.00 53.32 C ATOM 626 CG ARG A 40 -5.751 6.288 -0.685 1.00 34.33 C ATOM 627 CD ARG A 40 -6.061 6.987 0.640 1.00 73.45 C ATOM 628 NE ARG A 40 -6.729 8.279 0.451 1.00 33.45 N ATOM 629 CZ ARG A 40 -6.217 9.437 0.786 1.00 22.40 C ATOM 630 NH1 ARG A 40 -5.045 9.513 1.332 1.00 12.21 N ATOM 631 NH2 ARG A 40 -6.897 10.519 0.586 1.00 13.15 N ATOM 0 H ARG A 40 -2.897 7.944 -2.862 1.00 42.13 H new ATOM 0 HA ARG A 40 -3.890 5.304 -2.449 1.00 61.23 H new ATOM 0 HB2 ARG A 40 -3.875 7.299 -0.871 1.00 53.32 H new ATOM 0 HB3 ARG A 40 -5.165 7.996 -1.831 1.00 53.32 H new ATOM 0 HG2 ARG A 40 -6.670 6.180 -1.261 1.00 34.33 H new ATOM 0 HG3 ARG A 40 -5.380 5.283 -0.486 1.00 34.33 H new ATOM 0 HD2 ARG A 40 -6.693 6.341 1.249 1.00 73.45 H new ATOM 0 HD3 ARG A 40 -5.134 7.138 1.193 1.00 73.45 H new ATOM 0 HE ARG A 40 -7.658 8.275 0.029 1.00 33.45 H new ATOM 0 HH11 ARG A 40 -4.508 8.664 1.506 1.00 12.21 H new ATOM 0 HH12 ARG A 40 -4.659 10.422 1.587 1.00 12.21 H new ATOM 0 HH21 ARG A 40 -7.827 10.467 0.169 1.00 13.15 H new ATOM 0 HH22 ARG A 40 -6.504 11.424 0.845 1.00 13.15 H new ATOM 645 N ALA A 41 -6.078 5.053 -3.780 1.00 12.30 N ATOM 646 CA ALA A 41 -7.130 4.813 -4.792 1.00 22.30 C ATOM 647 C ALA A 41 -8.097 6.007 -4.889 1.00 23.15 C ATOM 648 O ALA A 41 -8.727 6.238 -5.927 1.00 42.11 O ATOM 649 CB ALA A 41 -7.900 3.533 -4.486 1.00 72.50 C ATOM 0 H ALA A 41 -6.000 4.325 -3.070 1.00 12.30 H new ATOM 0 HA ALA A 41 -6.635 4.698 -5.756 1.00 22.30 H new ATOM 0 HB1 ALA A 41 -8.667 3.380 -5.245 1.00 72.50 H new ATOM 0 HB2 ALA A 41 -7.214 2.686 -4.488 1.00 72.50 H new ATOM 0 HB3 ALA A 41 -8.370 3.617 -3.506 1.00 72.50 H new ATOM 655 N ASP A 42 -8.216 6.741 -3.784 1.00 65.14 N ATOM 656 CA ASP A 42 -8.900 8.038 -3.760 1.00 62.32 C ATOM 657 C ASP A 42 -8.361 8.980 -4.856 1.00 70.23 C ATOM 658 O ASP A 42 -9.126 9.565 -5.626 1.00 73.42 O ATOM 659 CB ASP A 42 -8.705 8.667 -2.372 1.00 15.51 C ATOM 660 CG ASP A 42 -9.001 10.154 -2.335 1.00 41.02 C ATOM 661 OD1 ASP A 42 -10.181 10.530 -2.166 1.00 20.32 O ATOM 662 OD2 ASP A 42 -8.051 10.954 -2.461 1.00 31.12 O ATOM 0 H ASP A 42 -7.842 6.456 -2.879 1.00 65.14 H new ATOM 0 HA ASP A 42 -9.961 7.885 -3.959 1.00 62.32 H new ATOM 0 HB2 ASP A 42 -9.351 8.158 -1.657 1.00 15.51 H new ATOM 0 HB3 ASP A 42 -7.678 8.501 -2.048 1.00 15.51 H new ATOM 667 N GLY A 43 -7.040 9.095 -4.917 1.00 15.41 N ATOM 668 CA GLY A 43 -6.386 9.985 -5.867 1.00 33.20 C ATOM 669 C GLY A 43 -5.234 10.758 -5.230 1.00 11.30 C ATOM 670 O GLY A 43 -4.207 10.999 -5.866 1.00 31.25 O ATOM 0 H GLY A 43 -6.398 8.579 -4.316 1.00 15.41 H new ATOM 0 HA2 GLY A 43 -6.010 9.403 -6.709 1.00 33.20 H new ATOM 0 HA3 GLY A 43 -7.117 10.688 -6.267 1.00 33.20 H new ATOM 674 N SER A 44 -5.412 11.143 -3.968 1.00 33.51 N ATOM 675 CA SER A 44 -4.391 11.905 -3.233 1.00 65.02 C ATOM 676 C SER A 44 -3.234 11.013 -2.761 1.00 4.03 C ATOM 677 O SER A 44 -3.382 9.798 -2.623 1.00 5.04 O ATOM 678 CB SER A 44 -5.014 12.620 -2.024 1.00 71.34 C ATOM 679 OG SER A 44 -4.045 13.392 -1.323 1.00 54.14 O ATOM 0 H SER A 44 -6.253 10.942 -3.428 1.00 33.51 H new ATOM 0 HA SER A 44 -3.988 12.644 -3.926 1.00 65.02 H new ATOM 0 HB2 SER A 44 -5.824 13.267 -2.360 1.00 71.34 H new ATOM 0 HB3 SER A 44 -5.452 11.884 -1.350 1.00 71.34 H new ATOM 0 HG SER A 44 -4.470 13.837 -0.560 1.00 54.14 H new ATOM 685 N ILE A 45 -2.079 11.631 -2.515 1.00 13.13 N ATOM 686 CA ILE A 45 -0.895 10.914 -2.038 1.00 23.23 C ATOM 687 C ILE A 45 -1.032 10.533 -0.557 1.00 72.32 C ATOM 688 O ILE A 45 -1.413 11.356 0.280 1.00 63.43 O ATOM 689 CB ILE A 45 0.388 11.766 -2.221 1.00 41.30 C ATOM 690 CG1 ILE A 45 0.606 12.107 -3.705 1.00 4.13 C ATOM 691 CG2 ILE A 45 1.611 11.047 -1.647 1.00 22.12 C ATOM 692 CD1 ILE A 45 0.843 10.899 -4.586 1.00 70.00 C ATOM 0 H ILE A 45 -1.937 12.633 -2.639 1.00 13.13 H new ATOM 0 HA ILE A 45 -0.814 10.006 -2.636 1.00 23.23 H new ATOM 0 HB ILE A 45 0.255 12.697 -1.670 1.00 41.30 H new ATOM 0 HG12 ILE A 45 -0.265 12.648 -4.075 1.00 4.13 H new ATOM 0 HG13 ILE A 45 1.459 12.780 -3.791 1.00 4.13 H new ATOM 0 HG21 ILE A 45 2.497 11.666 -1.789 1.00 22.12 H new ATOM 0 HG22 ILE A 45 1.461 10.867 -0.583 1.00 22.12 H new ATOM 0 HG23 ILE A 45 1.748 10.095 -2.161 1.00 22.12 H new ATOM 0 HD11 ILE A 45 0.988 11.223 -5.617 1.00 70.00 H new ATOM 0 HD12 ILE A 45 1.732 10.368 -4.244 1.00 70.00 H new ATOM 0 HD13 ILE A 45 -0.019 10.235 -4.532 1.00 70.00 H new ATOM 704 N GLN A 46 -0.720 9.283 -0.236 1.00 5.20 N ATOM 705 CA GLN A 46 -0.723 8.826 1.152 1.00 61.23 C ATOM 706 C GLN A 46 0.577 9.247 1.855 1.00 22.03 C ATOM 707 O GLN A 46 1.617 8.616 1.691 1.00 23.44 O ATOM 708 CB GLN A 46 -0.901 7.300 1.212 1.00 41.41 C ATOM 709 CG GLN A 46 -1.024 6.745 2.631 1.00 24.14 C ATOM 710 CD GLN A 46 -2.179 7.358 3.408 1.00 41.10 C ATOM 711 OE1 GLN A 46 -3.200 7.747 2.841 1.00 74.21 O ATOM 712 NE2 GLN A 46 -2.024 7.454 4.714 1.00 33.40 N ATOM 0 H GLN A 46 -0.462 8.567 -0.915 1.00 5.20 H new ATOM 0 HA GLN A 46 -1.561 9.291 1.671 1.00 61.23 H new ATOM 0 HB2 GLN A 46 -1.792 7.026 0.647 1.00 41.41 H new ATOM 0 HB3 GLN A 46 -0.052 6.826 0.719 1.00 41.41 H new ATOM 0 HG2 GLN A 46 -1.158 5.664 2.583 1.00 24.14 H new ATOM 0 HG3 GLN A 46 -0.094 6.927 3.169 1.00 24.14 H new ATOM 0 HE21 GLN A 46 -1.165 7.121 5.151 1.00 33.40 H new ATOM 0 HE22 GLN A 46 -2.764 7.861 5.287 1.00 33.40 H new ATOM 721 N ASN A 47 0.508 10.332 2.625 1.00 4.30 N ATOM 722 CA ASN A 47 1.695 10.904 3.281 1.00 31.32 C ATOM 723 C ASN A 47 1.976 10.247 4.639 1.00 24.34 C ATOM 724 O ASN A 47 3.113 10.247 5.117 1.00 65.54 O ATOM 725 CB ASN A 47 1.518 12.415 3.457 1.00 50.34 C ATOM 726 CG ASN A 47 1.412 13.143 2.127 1.00 74.34 C ATOM 727 OD1 ASN A 47 2.408 13.578 1.561 1.00 2.02 O ATOM 728 ND2 ASN A 47 0.204 13.280 1.618 1.00 11.43 N ATOM 0 H ASN A 47 -0.358 10.838 2.814 1.00 4.30 H new ATOM 0 HA ASN A 47 2.553 10.707 2.638 1.00 31.32 H new ATOM 0 HB2 ASN A 47 0.621 12.607 4.046 1.00 50.34 H new ATOM 0 HB3 ASN A 47 2.361 12.814 4.021 1.00 50.34 H new ATOM 0 HD21 ASN A 47 0.077 13.760 0.727 1.00 11.43 H new ATOM 0 HD22 ASN A 47 -0.604 12.906 2.115 1.00 11.43 H new ATOM 735 N GLN A 48 0.942 9.706 5.272 1.00 13.21 N ATOM 736 CA GLN A 48 1.099 9.034 6.569 1.00 10.41 C ATOM 737 C GLN A 48 1.501 7.562 6.384 1.00 53.44 C ATOM 738 O GLN A 48 0.786 6.790 5.738 1.00 71.31 O ATOM 739 CB GLN A 48 -0.201 9.134 7.383 1.00 22.20 C ATOM 740 CG GLN A 48 -0.666 10.569 7.640 1.00 74.51 C ATOM 741 CD GLN A 48 0.280 11.377 8.526 1.00 62.02 C ATOM 742 OE1 GLN A 48 1.492 11.174 8.528 1.00 32.15 O ATOM 743 NE2 GLN A 48 -0.271 12.299 9.290 1.00 34.23 N ATOM 0 H GLN A 48 -0.013 9.716 4.915 1.00 13.21 H new ATOM 0 HA GLN A 48 1.897 9.536 7.116 1.00 10.41 H new ATOM 0 HB2 GLN A 48 -0.989 8.596 6.856 1.00 22.20 H new ATOM 0 HB3 GLN A 48 -0.058 8.633 8.340 1.00 22.20 H new ATOM 0 HG2 GLN A 48 -0.779 11.081 6.684 1.00 74.51 H new ATOM 0 HG3 GLN A 48 -1.651 10.543 8.106 1.00 74.51 H new ATOM 0 HE21 GLN A 48 -1.280 12.444 9.266 1.00 34.23 H new ATOM 0 HE22 GLN A 48 0.312 12.867 9.905 1.00 34.23 H new ATOM 752 N SER A 49 2.643 7.184 6.966 1.00 61.22 N ATOM 753 CA SER A 49 3.205 5.832 6.798 1.00 1.40 C ATOM 754 C SER A 49 2.345 4.751 7.472 1.00 72.12 C ATOM 755 O SER A 49 1.638 5.011 8.449 1.00 34.42 O ATOM 756 CB SER A 49 4.639 5.774 7.350 1.00 65.33 C ATOM 757 OG SER A 49 4.683 6.100 8.732 1.00 3.44 O ATOM 0 H SER A 49 3.202 7.795 7.561 1.00 61.22 H new ATOM 0 HA SER A 49 3.215 5.625 5.728 1.00 1.40 H new ATOM 0 HB2 SER A 49 5.047 4.775 7.199 1.00 65.33 H new ATOM 0 HB3 SER A 49 5.272 6.465 6.793 1.00 65.33 H new ATOM 0 HG SER A 49 5.609 6.052 9.050 1.00 3.44 H new ATOM 763 N LEU A 50 2.420 3.524 6.945 1.00 32.44 N ATOM 764 CA LEU A 50 1.629 2.398 7.456 1.00 52.33 C ATOM 765 C LEU A 50 2.521 1.202 7.847 1.00 41.43 C ATOM 766 O LEU A 50 3.259 0.653 7.031 1.00 74.45 O ATOM 767 CB LEU A 50 0.546 1.992 6.424 1.00 72.20 C ATOM 768 CG LEU A 50 0.919 2.137 4.929 1.00 32.20 C ATOM 769 CD1 LEU A 50 1.956 1.105 4.496 1.00 61.34 C ATOM 770 CD2 LEU A 50 -0.330 2.041 4.052 1.00 43.41 C ATOM 0 H LEU A 50 3.025 3.284 6.159 1.00 32.44 H new ATOM 0 HA LEU A 50 1.127 2.722 8.368 1.00 52.33 H new ATOM 0 HB2 LEU A 50 0.275 0.952 6.607 1.00 72.20 H new ATOM 0 HB3 LEU A 50 -0.344 2.592 6.612 1.00 72.20 H new ATOM 0 HG LEU A 50 1.366 3.123 4.800 1.00 32.20 H new ATOM 0 HD11 LEU A 50 2.188 1.243 3.440 1.00 61.34 H new ATOM 0 HD12 LEU A 50 2.863 1.231 5.087 1.00 61.34 H new ATOM 0 HD13 LEU A 50 1.558 0.102 4.652 1.00 61.34 H new ATOM 0 HD21 LEU A 50 -0.048 2.145 3.004 1.00 43.41 H new ATOM 0 HD22 LEU A 50 -0.808 1.073 4.205 1.00 43.41 H new ATOM 0 HD23 LEU A 50 -1.026 2.836 4.321 1.00 43.41 H new ATOM 782 N HIS A 51 2.447 0.799 9.113 1.00 62.10 N ATOM 783 CA HIS A 51 3.283 -0.296 9.624 1.00 53.13 C ATOM 784 C HIS A 51 2.680 -1.678 9.305 1.00 41.23 C ATOM 785 O HIS A 51 3.322 -2.704 9.527 1.00 14.14 O ATOM 786 CB HIS A 51 3.478 -0.153 11.135 1.00 31.32 C ATOM 787 CG HIS A 51 4.138 1.129 11.542 1.00 14.40 C ATOM 788 ND1 HIS A 51 5.501 1.337 11.459 1.00 62.24 N ATOM 789 CD2 HIS A 51 3.618 2.284 12.027 1.00 2.53 C ATOM 790 CE1 HIS A 51 5.787 2.553 11.875 1.00 74.43 C ATOM 791 NE2 HIS A 51 4.666 3.147 12.223 1.00 55.32 N ATOM 0 H HIS A 51 1.821 1.209 9.806 1.00 62.10 H new ATOM 0 HA HIS A 51 4.248 -0.229 9.122 1.00 53.13 H new ATOM 0 HB2 HIS A 51 2.507 -0.222 11.625 1.00 31.32 H new ATOM 0 HB3 HIS A 51 4.077 -0.989 11.495 1.00 31.32 H new ATOM 0 HD2 HIS A 51 2.575 2.486 12.222 1.00 2.53 H new ATOM 0 HE1 HIS A 51 6.774 2.989 11.922 1.00 74.43 H new ATOM 0 HE2 HIS A 51 4.588 4.099 12.582 1.00 55.32 H new ATOM 800 N GLU A 52 1.446 -1.690 8.800 1.00 24.23 N ATOM 801 CA GLU A 52 0.748 -2.935 8.439 1.00 24.03 C ATOM 802 C GLU A 52 -0.171 -2.722 7.226 1.00 30.14 C ATOM 803 O GLU A 52 -0.852 -1.698 7.117 1.00 60.22 O ATOM 804 CB GLU A 52 -0.064 -3.461 9.634 1.00 11.33 C ATOM 805 CG GLU A 52 0.800 -3.939 10.800 1.00 45.14 C ATOM 806 CD GLU A 52 -0.002 -4.238 12.054 1.00 73.44 C ATOM 807 OE1 GLU A 52 -0.291 -3.290 12.813 1.00 25.11 O ATOM 808 OE2 GLU A 52 -0.329 -5.418 12.295 1.00 72.42 O ATOM 0 H GLU A 52 0.901 -0.845 8.629 1.00 24.23 H new ATOM 0 HA GLU A 52 1.501 -3.676 8.170 1.00 24.03 H new ATOM 0 HB2 GLU A 52 -0.729 -2.672 9.986 1.00 11.33 H new ATOM 0 HB3 GLU A 52 -0.695 -4.284 9.299 1.00 11.33 H new ATOM 0 HG2 GLU A 52 1.341 -4.836 10.499 1.00 45.14 H new ATOM 0 HG3 GLU A 52 1.547 -3.178 11.027 1.00 45.14 H new ATOM 815 N ALA A 53 -0.195 -3.702 6.321 1.00 11.53 N ATOM 816 CA ALA A 53 -0.970 -3.596 5.081 1.00 55.13 C ATOM 817 C ALA A 53 -1.468 -4.968 4.587 1.00 25.00 C ATOM 818 O ALA A 53 -0.949 -6.013 4.979 1.00 33.32 O ATOM 819 CB ALA A 53 -0.131 -2.915 4.002 1.00 13.13 C ATOM 0 H ALA A 53 0.314 -4.580 6.423 1.00 11.53 H new ATOM 0 HA ALA A 53 -1.852 -2.992 5.293 1.00 55.13 H new ATOM 0 HB1 ALA A 53 -0.712 -2.839 3.083 1.00 13.13 H new ATOM 0 HB2 ALA A 53 0.151 -1.917 4.336 1.00 13.13 H new ATOM 0 HB3 ALA A 53 0.768 -3.502 3.815 1.00 13.13 H new ATOM 825 N LEU A 54 -2.479 -4.948 3.719 1.00 60.11 N ATOM 826 CA LEU A 54 -3.059 -6.175 3.149 1.00 75.11 C ATOM 827 C LEU A 54 -2.649 -6.353 1.681 1.00 73.30 C ATOM 828 O LEU A 54 -2.699 -5.408 0.896 1.00 2.32 O ATOM 829 CB LEU A 54 -4.588 -6.126 3.232 1.00 51.42 C ATOM 830 CG LEU A 54 -5.167 -5.948 4.642 1.00 4.13 C ATOM 831 CD1 LEU A 54 -6.675 -5.729 4.573 1.00 24.41 C ATOM 832 CD2 LEU A 54 -4.829 -7.152 5.521 1.00 21.30 C ATOM 0 H LEU A 54 -2.920 -4.089 3.390 1.00 60.11 H new ATOM 0 HA LEU A 54 -2.680 -7.017 3.728 1.00 75.11 H new ATOM 0 HB2 LEU A 54 -4.942 -5.307 2.606 1.00 51.42 H new ATOM 0 HB3 LEU A 54 -4.987 -7.047 2.808 1.00 51.42 H new ATOM 0 HG LEU A 54 -4.714 -5.065 5.094 1.00 4.13 H new ATOM 0 HD11 LEU A 54 -7.071 -5.604 5.581 1.00 24.41 H new ATOM 0 HD12 LEU A 54 -6.886 -4.835 3.987 1.00 24.41 H new ATOM 0 HD13 LEU A 54 -7.147 -6.591 4.102 1.00 24.41 H new ATOM 0 HD21 LEU A 54 -5.249 -7.005 6.516 1.00 21.30 H new ATOM 0 HD22 LEU A 54 -5.250 -8.055 5.079 1.00 21.30 H new ATOM 0 HD23 LEU A 54 -3.746 -7.256 5.596 1.00 21.30 H new ATOM 844 N ILE A 55 -2.269 -7.569 1.307 1.00 34.00 N ATOM 845 CA ILE A 55 -1.862 -7.867 -0.069 1.00 23.34 C ATOM 846 C ILE A 55 -2.895 -8.756 -0.785 1.00 42.41 C ATOM 847 O ILE A 55 -3.436 -9.698 -0.199 1.00 40.11 O ATOM 848 CB ILE A 55 -0.469 -8.560 -0.105 1.00 61.33 C ATOM 849 CG1 ILE A 55 -0.016 -8.820 -1.555 1.00 34.24 C ATOM 850 CG2 ILE A 55 -0.486 -9.864 0.696 1.00 11.20 C ATOM 851 CD1 ILE A 55 0.183 -7.565 -2.383 1.00 73.01 C ATOM 0 H ILE A 55 -2.233 -8.370 1.937 1.00 34.00 H new ATOM 0 HA ILE A 55 -1.800 -6.913 -0.593 1.00 23.34 H new ATOM 0 HB ILE A 55 0.250 -7.884 0.358 1.00 61.33 H new ATOM 0 HG12 ILE A 55 0.919 -9.380 -1.536 1.00 34.24 H new ATOM 0 HG13 ILE A 55 -0.756 -9.452 -2.046 1.00 34.24 H new ATOM 0 HG21 ILE A 55 0.499 -10.329 0.655 1.00 11.20 H new ATOM 0 HG22 ILE A 55 -0.744 -9.650 1.733 1.00 11.20 H new ATOM 0 HG23 ILE A 55 -1.225 -10.543 0.271 1.00 11.20 H new ATOM 0 HD11 ILE A 55 0.501 -7.839 -3.389 1.00 73.01 H new ATOM 0 HD12 ILE A 55 -0.755 -7.012 -2.437 1.00 73.01 H new ATOM 0 HD13 ILE A 55 0.946 -6.940 -1.919 1.00 73.01 H new ATOM 863 N THR A 56 -3.185 -8.427 -2.045 1.00 43.21 N ATOM 864 CA THR A 56 -4.020 -9.283 -2.906 1.00 53.22 C ATOM 865 C THR A 56 -3.209 -10.473 -3.448 1.00 62.34 C ATOM 866 O THR A 56 -2.016 -10.344 -3.730 1.00 13.34 O ATOM 867 CB THR A 56 -4.616 -8.488 -4.097 1.00 3.45 C ATOM 868 OG1 THR A 56 -3.580 -7.772 -4.784 1.00 71.02 O ATOM 869 CG2 THR A 56 -5.683 -7.504 -3.627 1.00 34.34 C ATOM 0 H THR A 56 -2.856 -7.574 -2.497 1.00 43.21 H new ATOM 0 HA THR A 56 -4.838 -9.652 -2.288 1.00 53.22 H new ATOM 0 HB THR A 56 -5.078 -9.205 -4.775 1.00 3.45 H new ATOM 0 HG1 THR A 56 -3.321 -6.987 -4.258 1.00 71.02 H new ATOM 0 HG21 THR A 56 -6.081 -6.962 -4.485 1.00 34.34 H new ATOM 0 HG22 THR A 56 -6.489 -8.049 -3.136 1.00 34.34 H new ATOM 0 HG23 THR A 56 -5.242 -6.797 -2.924 1.00 34.34 H new ATOM 877 N ARG A 57 -3.865 -11.627 -3.604 1.00 74.42 N ATOM 878 CA ARG A 57 -3.179 -12.870 -3.999 1.00 15.32 C ATOM 879 C ARG A 57 -2.400 -12.732 -5.319 1.00 23.12 C ATOM 880 O ARG A 57 -1.327 -13.309 -5.475 1.00 21.30 O ATOM 881 CB ARG A 57 -4.192 -14.021 -4.107 1.00 23.12 C ATOM 882 CG ARG A 57 -3.566 -15.356 -4.504 1.00 40.22 C ATOM 883 CD ARG A 57 -4.589 -16.487 -4.504 1.00 71.23 C ATOM 884 NE ARG A 57 -4.003 -17.754 -4.935 1.00 14.11 N ATOM 885 CZ ARG A 57 -4.212 -18.902 -4.348 1.00 72.51 C ATOM 886 NH1 ARG A 57 -4.909 -18.967 -3.261 1.00 53.54 N ATOM 887 NH2 ARG A 57 -3.696 -19.985 -4.830 1.00 4.33 N ATOM 0 H ARG A 57 -4.870 -11.730 -3.464 1.00 74.42 H new ATOM 0 HA ARG A 57 -2.449 -13.088 -3.220 1.00 15.32 H new ATOM 0 HB2 ARG A 57 -4.699 -14.138 -3.149 1.00 23.12 H new ATOM 0 HB3 ARG A 57 -4.954 -13.755 -4.840 1.00 23.12 H new ATOM 0 HG2 ARG A 57 -3.122 -15.268 -5.496 1.00 40.22 H new ATOM 0 HG3 ARG A 57 -2.758 -15.598 -3.813 1.00 40.22 H new ATOM 0 HD2 ARG A 57 -5.003 -16.601 -3.502 1.00 71.23 H new ATOM 0 HD3 ARG A 57 -5.417 -16.227 -5.164 1.00 71.23 H new ATOM 0 HE ARG A 57 -3.389 -17.741 -5.749 1.00 14.11 H new ATOM 0 HH11 ARG A 57 -5.301 -18.117 -2.855 1.00 53.54 H new ATOM 0 HH12 ARG A 57 -5.067 -19.868 -2.810 1.00 53.54 H new ATOM 0 HH21 ARG A 57 -3.123 -19.946 -5.673 1.00 4.33 H new ATOM 0 HH22 ARG A 57 -3.862 -20.879 -4.368 1.00 4.33 H new ATOM 901 N ASP A 58 -2.923 -11.956 -6.264 1.00 14.44 N ATOM 902 CA ASP A 58 -2.237 -11.748 -7.546 1.00 62.13 C ATOM 903 C ASP A 58 -1.413 -10.448 -7.552 1.00 71.20 C ATOM 904 O ASP A 58 -0.997 -9.970 -8.608 1.00 11.30 O ATOM 905 CB ASP A 58 -3.255 -11.746 -8.689 1.00 52.42 C ATOM 906 CG ASP A 58 -4.046 -13.040 -8.746 1.00 22.43 C ATOM 907 OD1 ASP A 58 -3.487 -14.071 -9.180 1.00 1.34 O ATOM 908 OD2 ASP A 58 -5.222 -13.042 -8.337 1.00 14.22 O ATOM 0 H ASP A 58 -3.811 -11.463 -6.173 1.00 14.44 H new ATOM 0 HA ASP A 58 -1.538 -12.572 -7.689 1.00 62.13 H new ATOM 0 HB2 ASP A 58 -3.940 -10.907 -8.563 1.00 52.42 H new ATOM 0 HB3 ASP A 58 -2.737 -11.595 -9.636 1.00 52.42 H new ATOM 913 N ARG A 59 -1.176 -9.894 -6.358 1.00 23.33 N ATOM 914 CA ARG A 59 -0.374 -8.671 -6.192 1.00 72.14 C ATOM 915 C ARG A 59 -0.935 -7.493 -7.012 1.00 54.43 C ATOM 916 O ARG A 59 -0.184 -6.705 -7.579 1.00 1.21 O ATOM 917 CB ARG A 59 1.100 -8.938 -6.560 1.00 32.23 C ATOM 918 CG ARG A 59 1.901 -9.665 -5.475 1.00 24.53 C ATOM 919 CD ARG A 59 1.362 -11.064 -5.171 1.00 10.10 C ATOM 920 NE ARG A 59 2.102 -11.702 -4.082 1.00 24.41 N ATOM 921 CZ ARG A 59 1.711 -12.779 -3.451 1.00 52.20 C ATOM 922 NH1 ARG A 59 0.629 -13.394 -3.795 1.00 45.42 N ATOM 923 NH2 ARG A 59 2.432 -13.249 -2.485 1.00 41.14 N ATOM 0 H ARG A 59 -1.532 -10.276 -5.482 1.00 23.33 H new ATOM 0 HA ARG A 59 -0.429 -8.386 -5.141 1.00 72.14 H new ATOM 0 HB2 ARG A 59 1.132 -9.529 -7.476 1.00 32.23 H new ATOM 0 HB3 ARG A 59 1.586 -7.987 -6.777 1.00 32.23 H new ATOM 0 HG2 ARG A 59 2.942 -9.743 -5.790 1.00 24.53 H new ATOM 0 HG3 ARG A 59 1.888 -9.070 -4.562 1.00 24.53 H new ATOM 0 HD2 ARG A 59 0.307 -10.998 -4.905 1.00 10.10 H new ATOM 0 HD3 ARG A 59 1.427 -11.682 -6.067 1.00 10.10 H new ATOM 0 HE ARG A 59 2.984 -11.278 -3.795 1.00 24.41 H new ATOM 0 HH11 ARG A 59 0.066 -13.041 -4.569 1.00 45.42 H new ATOM 0 HH12 ARG A 59 0.337 -14.233 -3.293 1.00 45.42 H new ATOM 0 HH21 ARG A 59 3.298 -12.780 -2.220 1.00 41.14 H new ATOM 0 HH22 ARG A 59 2.134 -14.088 -1.988 1.00 41.14 H new ATOM 937 N LYS A 60 -2.258 -7.364 -7.040 1.00 53.12 N ATOM 938 CA LYS A 60 -2.915 -6.279 -7.782 1.00 4.35 C ATOM 939 C LYS A 60 -2.968 -4.989 -6.945 1.00 64.52 C ATOM 940 O LYS A 60 -2.363 -3.975 -7.302 1.00 3.11 O ATOM 941 CB LYS A 60 -4.338 -6.698 -8.198 1.00 52.41 C ATOM 942 CG LYS A 60 -4.407 -8.041 -8.927 1.00 1.44 C ATOM 943 CD LYS A 60 -3.551 -8.064 -10.199 1.00 12.12 C ATOM 944 CE LYS A 60 -4.108 -7.161 -11.296 1.00 70.54 C ATOM 945 NZ LYS A 60 -5.435 -7.624 -11.788 1.00 15.34 N ATOM 0 H LYS A 60 -2.901 -7.994 -6.560 1.00 53.12 H new ATOM 0 HA LYS A 60 -2.327 -6.081 -8.678 1.00 4.35 H new ATOM 0 HB2 LYS A 60 -4.965 -6.748 -7.308 1.00 52.41 H new ATOM 0 HB3 LYS A 60 -4.759 -5.926 -8.842 1.00 52.41 H new ATOM 0 HG2 LYS A 60 -4.075 -8.833 -8.255 1.00 1.44 H new ATOM 0 HG3 LYS A 60 -5.443 -8.257 -9.187 1.00 1.44 H new ATOM 0 HD2 LYS A 60 -2.536 -7.750 -9.955 1.00 12.12 H new ATOM 0 HD3 LYS A 60 -3.488 -9.086 -10.572 1.00 12.12 H new ATOM 0 HE2 LYS A 60 -4.199 -6.144 -10.915 1.00 70.54 H new ATOM 0 HE3 LYS A 60 -3.405 -7.128 -12.129 1.00 70.54 H new ATOM 0 HZ1 LYS A 60 -5.680 -7.111 -12.659 1.00 15.34 H new ATOM 0 HZ2 LYS A 60 -5.395 -8.644 -11.986 1.00 15.34 H new ATOM 0 HZ3 LYS A 60 -6.158 -7.440 -11.063 1.00 15.34 H new ATOM 959 N GLN A 61 -3.689 -5.039 -5.821 1.00 41.42 N ATOM 960 CA GLN A 61 -3.841 -3.872 -4.938 1.00 3.41 C ATOM 961 C GLN A 61 -3.436 -4.191 -3.485 1.00 44.41 C ATOM 962 O GLN A 61 -3.248 -5.356 -3.115 1.00 71.51 O ATOM 963 CB GLN A 61 -5.288 -3.356 -4.981 1.00 63.31 C ATOM 964 CG GLN A 61 -5.732 -2.881 -6.364 1.00 0.40 C ATOM 965 CD GLN A 61 -7.151 -2.329 -6.371 1.00 12.01 C ATOM 966 OE1 GLN A 61 -8.115 -3.056 -6.584 1.00 2.34 O ATOM 967 NE2 GLN A 61 -7.292 -1.036 -6.148 1.00 35.12 N ATOM 0 H GLN A 61 -4.178 -5.874 -5.498 1.00 41.42 H new ATOM 0 HA GLN A 61 -3.169 -3.096 -5.305 1.00 3.41 H new ATOM 0 HB2 GLN A 61 -5.957 -4.149 -4.647 1.00 63.31 H new ATOM 0 HB3 GLN A 61 -5.392 -2.533 -4.274 1.00 63.31 H new ATOM 0 HG2 GLN A 61 -5.046 -2.111 -6.716 1.00 0.40 H new ATOM 0 HG3 GLN A 61 -5.667 -3.712 -7.067 1.00 0.40 H new ATOM 0 HE21 GLN A 61 -6.471 -0.456 -5.974 1.00 35.12 H new ATOM 0 HE22 GLN A 61 -8.222 -0.617 -6.150 1.00 35.12 H new ATOM 976 N VAL A 62 -3.301 -3.135 -2.678 1.00 23.41 N ATOM 977 CA VAL A 62 -2.896 -3.239 -1.268 1.00 32.15 C ATOM 978 C VAL A 62 -3.782 -2.343 -0.378 1.00 40.54 C ATOM 979 O VAL A 62 -4.149 -1.239 -0.773 1.00 61.44 O ATOM 980 CB VAL A 62 -1.407 -2.827 -1.083 1.00 52.13 C ATOM 981 CG1 VAL A 62 -1.005 -2.834 0.392 1.00 54.50 C ATOM 982 CG2 VAL A 62 -0.485 -3.740 -1.892 1.00 34.23 C ATOM 0 H VAL A 62 -3.470 -2.177 -2.984 1.00 23.41 H new ATOM 0 HA VAL A 62 -3.018 -4.280 -0.969 1.00 32.15 H new ATOM 0 HB VAL A 62 -1.300 -1.808 -1.456 1.00 52.13 H new ATOM 0 HG11 VAL A 62 0.041 -2.542 0.485 1.00 54.50 H new ATOM 0 HG12 VAL A 62 -1.629 -2.130 0.943 1.00 54.50 H new ATOM 0 HG13 VAL A 62 -1.140 -3.835 0.801 1.00 54.50 H new ATOM 0 HG21 VAL A 62 0.551 -3.432 -1.747 1.00 34.23 H new ATOM 0 HG22 VAL A 62 -0.608 -4.770 -1.557 1.00 34.23 H new ATOM 0 HG23 VAL A 62 -0.739 -3.669 -2.950 1.00 34.23 H new ATOM 992 N PHE A 63 -4.120 -2.821 0.819 1.00 3.33 N ATOM 993 CA PHE A 63 -4.956 -2.053 1.762 1.00 43.12 C ATOM 994 C PHE A 63 -4.173 -1.668 3.029 1.00 30.51 C ATOM 995 O PHE A 63 -3.122 -2.234 3.318 1.00 53.21 O ATOM 996 CB PHE A 63 -6.202 -2.857 2.160 1.00 54.31 C ATOM 997 CG PHE A 63 -7.149 -3.136 1.019 1.00 62.11 C ATOM 998 CD1 PHE A 63 -6.971 -4.244 0.201 1.00 20.21 C ATOM 999 CD2 PHE A 63 -8.222 -2.291 0.772 1.00 12.50 C ATOM 1000 CE1 PHE A 63 -7.845 -4.503 -0.840 1.00 13.40 C ATOM 1001 CE2 PHE A 63 -9.098 -2.548 -0.265 1.00 64.34 C ATOM 1002 CZ PHE A 63 -8.908 -3.653 -1.073 1.00 13.03 C ATOM 0 H PHE A 63 -3.831 -3.736 1.166 1.00 3.33 H new ATOM 0 HA PHE A 63 -5.260 -1.139 1.251 1.00 43.12 H new ATOM 0 HB2 PHE A 63 -5.885 -3.805 2.595 1.00 54.31 H new ATOM 0 HB3 PHE A 63 -6.738 -2.313 2.938 1.00 54.31 H new ATOM 0 HD1 PHE A 63 -6.141 -4.911 0.379 1.00 20.21 H new ATOM 0 HD2 PHE A 63 -8.374 -1.423 1.397 1.00 12.50 H new ATOM 0 HE1 PHE A 63 -7.696 -5.368 -1.469 1.00 13.40 H new ATOM 0 HE2 PHE A 63 -9.932 -1.885 -0.444 1.00 64.34 H new ATOM 0 HZ PHE A 63 -9.590 -3.852 -1.886 1.00 13.03 H new ATOM 1012 N ARG A 64 -4.706 -0.714 3.791 1.00 42.12 N ATOM 1013 CA ARG A 64 -4.069 -0.252 5.036 1.00 74.00 C ATOM 1014 C ARG A 64 -4.738 -0.882 6.274 1.00 4.12 C ATOM 1015 O ARG A 64 -5.868 -1.357 6.206 1.00 54.12 O ATOM 1016 CB ARG A 64 -4.128 1.288 5.096 1.00 44.05 C ATOM 1017 CG ARG A 64 -3.602 1.908 6.395 1.00 44.21 C ATOM 1018 CD ARG A 64 -3.343 3.410 6.253 1.00 13.20 C ATOM 1019 NE ARG A 64 -4.457 4.119 5.624 1.00 2.12 N ATOM 1020 CZ ARG A 64 -4.720 5.390 5.788 1.00 25.40 C ATOM 1021 NH1 ARG A 64 -4.023 6.122 6.599 1.00 72.11 N ATOM 1022 NH2 ARG A 64 -5.696 5.927 5.139 1.00 61.31 N ATOM 0 H ARG A 64 -5.582 -0.240 3.571 1.00 42.12 H new ATOM 0 HA ARG A 64 -3.027 -0.570 5.040 1.00 74.00 H new ATOM 0 HB2 ARG A 64 -3.555 1.691 4.261 1.00 44.05 H new ATOM 0 HB3 ARG A 64 -5.162 1.602 4.954 1.00 44.05 H new ATOM 0 HG2 ARG A 64 -4.323 1.739 7.195 1.00 44.21 H new ATOM 0 HG3 ARG A 64 -2.679 1.407 6.687 1.00 44.21 H new ATOM 0 HD2 ARG A 64 -3.156 3.837 7.238 1.00 13.20 H new ATOM 0 HD3 ARG A 64 -2.440 3.564 5.662 1.00 13.20 H new ATOM 0 HE ARG A 64 -5.074 3.583 5.013 1.00 2.12 H new ATOM 0 HH11 ARG A 64 -3.252 5.709 7.124 1.00 72.11 H new ATOM 0 HH12 ARG A 64 -4.245 7.111 6.712 1.00 72.11 H new ATOM 0 HH21 ARG A 64 -6.258 5.361 4.502 1.00 61.31 H new ATOM 0 HH22 ARG A 64 -5.907 6.917 5.262 1.00 61.31 H new ATOM 1036 N ILE A 65 -4.020 -0.911 7.401 1.00 60.02 N ATOM 1037 CA ILE A 65 -4.560 -1.457 8.658 1.00 74.21 C ATOM 1038 C ILE A 65 -4.434 -0.450 9.817 1.00 43.22 C ATOM 1039 O ILE A 65 -3.374 0.142 10.024 1.00 52.20 O ATOM 1040 CB ILE A 65 -3.830 -2.773 9.053 1.00 72.44 C ATOM 1041 CG1 ILE A 65 -4.010 -3.842 7.963 1.00 31.00 C ATOM 1042 CG2 ILE A 65 -4.320 -3.295 10.406 1.00 73.51 C ATOM 1043 CD1 ILE A 65 -3.284 -5.145 8.245 1.00 61.24 C ATOM 0 H ILE A 65 -3.064 -0.564 7.472 1.00 60.02 H new ATOM 0 HA ILE A 65 -5.616 -1.662 8.482 1.00 74.21 H new ATOM 0 HB ILE A 65 -2.767 -2.550 9.146 1.00 72.44 H new ATOM 0 HG12 ILE A 65 -5.074 -4.050 7.845 1.00 31.00 H new ATOM 0 HG13 ILE A 65 -3.657 -3.440 7.013 1.00 31.00 H new ATOM 0 HG21 ILE A 65 -3.791 -4.215 10.654 1.00 73.51 H new ATOM 0 HG22 ILE A 65 -4.128 -2.547 11.176 1.00 73.51 H new ATOM 0 HG23 ILE A 65 -5.390 -3.495 10.353 1.00 73.51 H new ATOM 0 HD11 ILE A 65 -3.462 -5.845 7.429 1.00 61.24 H new ATOM 0 HD12 ILE A 65 -2.214 -4.954 8.332 1.00 61.24 H new ATOM 0 HD13 ILE A 65 -3.653 -5.573 9.177 1.00 61.24 H new ATOM 1055 N GLU A 66 -5.519 -0.273 10.576 1.00 44.15 N ATOM 1056 CA GLU A 66 -5.512 0.588 11.770 1.00 11.22 C ATOM 1057 C GLU A 66 -6.193 -0.127 12.948 1.00 63.22 C ATOM 1058 O GLU A 66 -7.180 -0.838 12.757 1.00 52.11 O ATOM 1059 CB GLU A 66 -6.231 1.922 11.498 1.00 5.14 C ATOM 1060 CG GLU A 66 -7.724 1.779 11.190 1.00 61.22 C ATOM 1061 CD GLU A 66 -8.458 3.112 11.199 1.00 32.25 C ATOM 1062 OE1 GLU A 66 -8.434 3.823 10.171 1.00 74.44 O ATOM 1063 OE2 GLU A 66 -9.052 3.466 12.241 1.00 71.32 O ATOM 0 H GLU A 66 -6.419 -0.715 10.387 1.00 44.15 H new ATOM 0 HA GLU A 66 -4.472 0.797 12.022 1.00 11.22 H new ATOM 0 HB2 GLU A 66 -6.111 2.570 12.366 1.00 5.14 H new ATOM 0 HB3 GLU A 66 -5.744 2.420 10.659 1.00 5.14 H new ATOM 0 HG2 GLU A 66 -7.846 1.309 10.214 1.00 61.22 H new ATOM 0 HG3 GLU A 66 -8.180 1.114 11.923 1.00 61.22 H new ATOM 1070 N ASP A 67 -5.659 0.052 14.159 1.00 13.54 N ATOM 1071 CA ASP A 67 -6.224 -0.569 15.366 1.00 15.14 C ATOM 1072 C ASP A 67 -6.262 -2.107 15.220 1.00 52.32 C ATOM 1073 O ASP A 67 -7.126 -2.781 15.782 1.00 64.35 O ATOM 1074 CB ASP A 67 -7.633 -0.002 15.626 1.00 42.23 C ATOM 1075 CG ASP A 67 -8.187 -0.367 16.995 1.00 30.11 C ATOM 1076 OD1 ASP A 67 -7.590 0.049 18.014 1.00 22.33 O ATOM 1077 OD2 ASP A 67 -9.235 -1.048 17.068 1.00 20.32 O ATOM 0 H ASP A 67 -4.833 0.624 14.333 1.00 13.54 H new ATOM 0 HA ASP A 67 -5.589 -0.335 16.220 1.00 15.14 H new ATOM 0 HB2 ASP A 67 -7.603 1.084 15.532 1.00 42.23 H new ATOM 0 HB3 ASP A 67 -8.312 -0.370 14.857 1.00 42.23 H new ATOM 1082 N SER A 68 -5.306 -2.646 14.458 1.00 53.43 N ATOM 1083 CA SER A 68 -5.242 -4.091 14.149 1.00 24.02 C ATOM 1084 C SER A 68 -6.418 -4.540 13.259 1.00 14.52 C ATOM 1085 O SER A 68 -6.536 -5.718 12.911 1.00 53.42 O ATOM 1086 CB SER A 68 -5.200 -4.938 15.437 1.00 15.24 C ATOM 1087 OG SER A 68 -4.101 -4.573 16.262 1.00 73.24 O ATOM 0 H SER A 68 -4.554 -2.102 14.036 1.00 53.43 H new ATOM 0 HA SER A 68 -4.317 -4.253 13.595 1.00 24.02 H new ATOM 0 HB2 SER A 68 -6.131 -4.809 15.990 1.00 15.24 H new ATOM 0 HB3 SER A 68 -5.127 -5.994 15.178 1.00 15.24 H new ATOM 0 HG SER A 68 -4.102 -5.126 17.071 1.00 73.24 H new ATOM 1093 N ILE A 69 -7.273 -3.592 12.879 1.00 11.11 N ATOM 1094 CA ILE A 69 -8.437 -3.870 12.038 1.00 3.13 C ATOM 1095 C ILE A 69 -8.112 -3.647 10.548 1.00 14.22 C ATOM 1096 O ILE A 69 -7.637 -2.576 10.159 1.00 25.14 O ATOM 1097 CB ILE A 69 -9.636 -2.970 12.439 1.00 52.10 C ATOM 1098 CG1 ILE A 69 -10.006 -3.191 13.921 1.00 35.34 C ATOM 1099 CG2 ILE A 69 -10.840 -3.229 11.533 1.00 31.11 C ATOM 1100 CD1 ILE A 69 -10.386 -4.620 14.258 1.00 11.05 C ATOM 0 H ILE A 69 -7.179 -2.612 13.144 1.00 11.11 H new ATOM 0 HA ILE A 69 -8.705 -4.916 12.190 1.00 3.13 H new ATOM 0 HB ILE A 69 -9.339 -1.929 12.312 1.00 52.10 H new ATOM 0 HG12 ILE A 69 -9.162 -2.895 14.543 1.00 35.34 H new ATOM 0 HG13 ILE A 69 -10.837 -2.535 14.178 1.00 35.34 H new ATOM 0 HG21 ILE A 69 -11.667 -2.586 11.834 1.00 31.11 H new ATOM 0 HG22 ILE A 69 -10.571 -3.013 10.499 1.00 31.11 H new ATOM 0 HG23 ILE A 69 -11.142 -4.273 11.619 1.00 31.11 H new ATOM 0 HD11 ILE A 69 -10.632 -4.691 15.318 1.00 11.05 H new ATOM 0 HD12 ILE A 69 -11.251 -4.916 13.664 1.00 11.05 H new ATOM 0 HD13 ILE A 69 -9.549 -5.281 14.035 1.00 11.05 H new ATOM 1112 N PRO A 70 -8.354 -4.662 9.693 1.00 3.42 N ATOM 1113 CA PRO A 70 -8.101 -4.563 8.243 1.00 1.35 C ATOM 1114 C PRO A 70 -9.023 -3.543 7.547 1.00 44.51 C ATOM 1115 O PRO A 70 -10.231 -3.761 7.433 1.00 42.11 O ATOM 1116 CB PRO A 70 -8.380 -5.991 7.726 1.00 42.54 C ATOM 1117 CG PRO A 70 -8.401 -6.855 8.941 1.00 73.34 C ATOM 1118 CD PRO A 70 -8.887 -5.981 10.060 1.00 3.25 C ATOM 0 HA PRO A 70 -7.090 -4.212 8.034 1.00 1.35 H new ATOM 0 HB2 PRO A 70 -9.330 -6.038 7.194 1.00 42.54 H new ATOM 0 HB3 PRO A 70 -7.608 -6.314 7.028 1.00 42.54 H new ATOM 0 HG2 PRO A 70 -9.060 -7.711 8.800 1.00 73.34 H new ATOM 0 HG3 PRO A 70 -7.408 -7.250 9.157 1.00 73.34 H new ATOM 0 HD2 PRO A 70 -9.975 -5.974 10.126 1.00 3.25 H new ATOM 0 HD3 PRO A 70 -8.511 -6.315 11.027 1.00 3.25 H new ATOM 1126 N VAL A 71 -8.453 -2.428 7.085 1.00 41.12 N ATOM 1127 CA VAL A 71 -9.235 -1.394 6.399 1.00 34.23 C ATOM 1128 C VAL A 71 -9.501 -1.781 4.936 1.00 34.43 C ATOM 1129 O VAL A 71 -8.633 -1.644 4.073 1.00 11.42 O ATOM 1130 CB VAL A 71 -8.532 -0.017 6.457 1.00 35.35 C ATOM 1131 CG1 VAL A 71 -9.393 1.067 5.811 1.00 15.42 C ATOM 1132 CG2 VAL A 71 -8.187 0.346 7.901 1.00 30.03 C ATOM 0 H VAL A 71 -7.459 -2.217 7.172 1.00 41.12 H new ATOM 0 HA VAL A 71 -10.188 -1.316 6.922 1.00 34.23 H new ATOM 0 HB VAL A 71 -7.604 -0.084 5.889 1.00 35.35 H new ATOM 0 HG11 VAL A 71 -8.875 2.024 5.866 1.00 15.42 H new ATOM 0 HG12 VAL A 71 -9.576 0.813 4.767 1.00 15.42 H new ATOM 0 HG13 VAL A 71 -10.344 1.139 6.339 1.00 15.42 H new ATOM 0 HG21 VAL A 71 -7.693 1.317 7.924 1.00 30.03 H new ATOM 0 HG22 VAL A 71 -9.101 0.390 8.494 1.00 30.03 H new ATOM 0 HG23 VAL A 71 -7.521 -0.410 8.317 1.00 30.03 H new ATOM 1142 N LEU A 72 -10.706 -2.279 4.675 1.00 52.15 N ATOM 1143 CA LEU A 72 -11.088 -2.748 3.333 1.00 24.42 C ATOM 1144 C LEU A 72 -11.803 -1.655 2.522 1.00 14.12 C ATOM 1145 O LEU A 72 -12.477 -1.949 1.534 1.00 44.12 O ATOM 1146 CB LEU A 72 -11.996 -3.982 3.455 1.00 42.12 C ATOM 1147 CG LEU A 72 -11.381 -5.179 4.203 1.00 0.33 C ATOM 1148 CD1 LEU A 72 -12.365 -6.344 4.267 1.00 30.43 C ATOM 1149 CD2 LEU A 72 -10.076 -5.615 3.544 1.00 23.40 C ATOM 0 H LEU A 72 -11.443 -2.371 5.374 1.00 52.15 H new ATOM 0 HA LEU A 72 -10.173 -3.008 2.801 1.00 24.42 H new ATOM 0 HB2 LEU A 72 -12.914 -3.689 3.965 1.00 42.12 H new ATOM 0 HB3 LEU A 72 -12.277 -4.306 2.453 1.00 42.12 H new ATOM 0 HG LEU A 72 -11.161 -4.863 5.223 1.00 0.33 H new ATOM 0 HD11 LEU A 72 -11.908 -7.178 4.800 1.00 30.43 H new ATOM 0 HD12 LEU A 72 -13.268 -6.030 4.791 1.00 30.43 H new ATOM 0 HD13 LEU A 72 -12.623 -6.658 3.256 1.00 30.43 H new ATOM 0 HD21 LEU A 72 -9.659 -6.462 4.089 1.00 23.40 H new ATOM 0 HD22 LEU A 72 -10.269 -5.907 2.512 1.00 23.40 H new ATOM 0 HD23 LEU A 72 -9.366 -4.788 3.560 1.00 23.40 H new ATOM 1161 N LEU A 73 -11.645 -0.396 2.934 1.00 54.14 N ATOM 1162 CA LEU A 73 -12.280 0.732 2.239 1.00 20.11 C ATOM 1163 C LEU A 73 -11.791 0.839 0.780 1.00 72.00 C ATOM 1164 O LEU A 73 -10.596 0.708 0.507 1.00 34.44 O ATOM 1165 CB LEU A 73 -12.006 2.044 2.989 1.00 11.23 C ATOM 1166 CG LEU A 73 -12.565 2.119 4.419 1.00 31.13 C ATOM 1167 CD1 LEU A 73 -12.228 3.462 5.059 1.00 33.32 C ATOM 1168 CD2 LEU A 73 -14.075 1.881 4.427 1.00 44.20 C ATOM 0 H LEU A 73 -11.085 -0.129 3.743 1.00 54.14 H new ATOM 0 HA LEU A 73 -13.355 0.551 2.221 1.00 20.11 H new ATOM 0 HB2 LEU A 73 -10.928 2.200 3.031 1.00 11.23 H new ATOM 0 HB3 LEU A 73 -12.425 2.867 2.410 1.00 11.23 H new ATOM 0 HG LEU A 73 -12.095 1.331 5.008 1.00 31.13 H new ATOM 0 HD11 LEU A 73 -12.633 3.495 6.071 1.00 33.32 H new ATOM 0 HD12 LEU A 73 -11.146 3.586 5.097 1.00 33.32 H new ATOM 0 HD13 LEU A 73 -12.665 4.267 4.467 1.00 33.32 H new ATOM 0 HD21 LEU A 73 -14.447 1.939 5.450 1.00 44.20 H new ATOM 0 HD22 LEU A 73 -14.566 2.640 3.819 1.00 44.20 H new ATOM 0 HD23 LEU A 73 -14.290 0.894 4.018 1.00 44.20 H new ATOM 1180 N PRO A 74 -12.712 1.092 -0.177 1.00 23.43 N ATOM 1181 CA PRO A 74 -12.385 1.131 -1.620 1.00 61.34 C ATOM 1182 C PRO A 74 -11.238 2.092 -1.955 1.00 24.03 C ATOM 1183 O PRO A 74 -10.313 1.744 -2.696 1.00 72.43 O ATOM 1184 CB PRO A 74 -13.693 1.610 -2.273 1.00 14.54 C ATOM 1185 CG PRO A 74 -14.759 1.245 -1.297 1.00 61.12 C ATOM 1186 CD PRO A 74 -14.139 1.372 0.069 1.00 63.13 C ATOM 0 HA PRO A 74 -12.041 0.159 -1.974 1.00 61.34 H new ATOM 0 HB2 PRO A 74 -13.674 2.684 -2.455 1.00 14.54 H new ATOM 0 HB3 PRO A 74 -13.855 1.126 -3.236 1.00 14.54 H new ATOM 0 HG2 PRO A 74 -15.620 1.905 -1.396 1.00 61.12 H new ATOM 0 HG3 PRO A 74 -15.114 0.229 -1.470 1.00 61.12 H new ATOM 0 HD2 PRO A 74 -14.287 2.368 0.487 1.00 63.13 H new ATOM 0 HD3 PRO A 74 -14.572 0.663 0.775 1.00 63.13 H new ATOM 1194 N GLU A 75 -11.300 3.297 -1.400 1.00 74.14 N ATOM 1195 CA GLU A 75 -10.296 4.333 -1.659 1.00 53.11 C ATOM 1196 C GLU A 75 -8.906 3.940 -1.130 1.00 41.11 C ATOM 1197 O GLU A 75 -7.893 4.480 -1.571 1.00 32.32 O ATOM 1198 CB GLU A 75 -10.714 5.667 -1.024 1.00 14.34 C ATOM 1199 CG GLU A 75 -10.729 5.655 0.508 1.00 41.41 C ATOM 1200 CD GLU A 75 -12.098 5.380 1.111 1.00 31.51 C ATOM 1201 OE1 GLU A 75 -12.730 4.369 0.748 1.00 4.43 O ATOM 1202 OE2 GLU A 75 -12.549 6.189 1.949 1.00 13.11 O ATOM 0 H GLU A 75 -12.041 3.586 -0.761 1.00 74.14 H new ATOM 0 HA GLU A 75 -10.234 4.441 -2.742 1.00 53.11 H new ATOM 0 HB2 GLU A 75 -10.033 6.447 -1.364 1.00 14.34 H new ATOM 0 HB3 GLU A 75 -11.708 5.932 -1.384 1.00 14.34 H new ATOM 0 HG2 GLU A 75 -10.029 4.898 0.862 1.00 41.41 H new ATOM 0 HG3 GLU A 75 -10.370 6.617 0.872 1.00 41.41 H new ATOM 1209 N GLU A 76 -8.867 3.003 -0.188 1.00 32.44 N ATOM 1210 CA GLU A 76 -7.609 2.583 0.445 1.00 63.13 C ATOM 1211 C GLU A 76 -6.849 1.553 -0.406 1.00 42.15 C ATOM 1212 O GLU A 76 -5.693 1.240 -0.122 1.00 5.42 O ATOM 1213 CB GLU A 76 -7.895 1.999 1.834 1.00 71.35 C ATOM 1214 CG GLU A 76 -8.508 2.998 2.813 1.00 42.41 C ATOM 1215 CD GLU A 76 -7.549 4.113 3.200 1.00 22.43 C ATOM 1216 OE1 GLU A 76 -6.466 3.804 3.728 1.00 61.14 O ATOM 1217 OE2 GLU A 76 -7.880 5.307 3.000 1.00 72.13 O ATOM 0 H GLU A 76 -9.693 2.515 0.159 1.00 32.44 H new ATOM 0 HA GLU A 76 -6.976 3.466 0.536 1.00 63.13 H new ATOM 0 HB2 GLU A 76 -8.569 1.149 1.728 1.00 71.35 H new ATOM 0 HB3 GLU A 76 -6.965 1.617 2.255 1.00 71.35 H new ATOM 0 HG2 GLU A 76 -9.402 3.433 2.367 1.00 42.41 H new ATOM 0 HG3 GLU A 76 -8.825 2.470 3.712 1.00 42.41 H new ATOM 1224 N ALA A 77 -7.498 1.028 -1.443 1.00 62.35 N ATOM 1225 CA ALA A 77 -6.889 0.007 -2.301 1.00 53.11 C ATOM 1226 C ALA A 77 -5.780 0.585 -3.205 1.00 25.32 C ATOM 1227 O ALA A 77 -6.019 0.942 -4.361 1.00 31.15 O ATOM 1228 CB ALA A 77 -7.963 -0.681 -3.134 1.00 65.52 C ATOM 0 H ALA A 77 -8.446 1.291 -1.712 1.00 62.35 H new ATOM 0 HA ALA A 77 -6.413 -0.728 -1.652 1.00 53.11 H new ATOM 0 HB1 ALA A 77 -7.502 -1.438 -3.769 1.00 65.52 H new ATOM 0 HB2 ALA A 77 -8.689 -1.155 -2.473 1.00 65.52 H new ATOM 0 HB3 ALA A 77 -8.468 0.057 -3.758 1.00 65.52 H new ATOM 1234 N ILE A 78 -4.571 0.677 -2.659 1.00 61.30 N ATOM 1235 CA ILE A 78 -3.415 1.214 -3.390 1.00 70.52 C ATOM 1236 C ILE A 78 -2.908 0.223 -4.461 1.00 30.45 C ATOM 1237 O ILE A 78 -2.843 -0.980 -4.224 1.00 20.33 O ATOM 1238 CB ILE A 78 -2.259 1.553 -2.412 1.00 55.13 C ATOM 1239 CG1 ILE A 78 -2.751 2.516 -1.313 1.00 54.03 C ATOM 1240 CG2 ILE A 78 -1.070 2.154 -3.165 1.00 71.42 C ATOM 1241 CD1 ILE A 78 -1.719 2.801 -0.238 1.00 50.54 C ATOM 0 H ILE A 78 -4.360 0.385 -1.705 1.00 61.30 H new ATOM 0 HA ILE A 78 -3.746 2.124 -3.891 1.00 70.52 H new ATOM 0 HB ILE A 78 -1.927 0.629 -1.938 1.00 55.13 H new ATOM 0 HG12 ILE A 78 -3.049 3.457 -1.775 1.00 54.03 H new ATOM 0 HG13 ILE A 78 -3.641 2.094 -0.846 1.00 54.03 H new ATOM 0 HG21 ILE A 78 -0.271 2.384 -2.460 1.00 71.42 H new ATOM 0 HG22 ILE A 78 -0.707 1.439 -3.903 1.00 71.42 H new ATOM 0 HG23 ILE A 78 -1.383 3.068 -3.669 1.00 71.42 H new ATOM 0 HD11 ILE A 78 -2.140 3.486 0.498 1.00 50.54 H new ATOM 0 HD12 ILE A 78 -1.438 1.869 0.252 1.00 50.54 H new ATOM 0 HD13 ILE A 78 -0.837 3.253 -0.691 1.00 50.54 H new ATOM 1253 N ALA A 79 -2.543 0.733 -5.635 1.00 15.21 N ATOM 1254 CA ALA A 79 -2.066 -0.122 -6.731 1.00 22.10 C ATOM 1255 C ALA A 79 -0.557 -0.401 -6.629 1.00 12.41 C ATOM 1256 O ALA A 79 0.255 0.525 -6.601 1.00 21.32 O ATOM 1257 CB ALA A 79 -2.396 0.514 -8.076 1.00 55.14 C ATOM 0 H ALA A 79 -2.566 1.728 -5.856 1.00 15.21 H new ATOM 0 HA ALA A 79 -2.581 -1.079 -6.649 1.00 22.10 H new ATOM 0 HB1 ALA A 79 -2.038 -0.129 -8.880 1.00 55.14 H new ATOM 0 HB2 ALA A 79 -3.475 0.638 -8.165 1.00 55.14 H new ATOM 0 HB3 ALA A 79 -1.911 1.488 -8.147 1.00 55.14 H new ATOM 1263 N THR A 80 -0.183 -1.685 -6.600 1.00 1.21 N ATOM 1264 CA THR A 80 1.230 -2.086 -6.470 1.00 73.31 C ATOM 1265 C THR A 80 2.089 -1.533 -7.613 1.00 25.31 C ATOM 1266 O THR A 80 3.245 -1.158 -7.412 1.00 51.31 O ATOM 1267 CB THR A 80 1.392 -3.625 -6.448 1.00 75.33 C ATOM 1268 OG1 THR A 80 0.962 -4.185 -7.700 1.00 51.31 O ATOM 1269 CG2 THR A 80 0.594 -4.250 -5.308 1.00 23.12 C ATOM 0 H THR A 80 -0.835 -2.466 -6.664 1.00 1.21 H new ATOM 0 HA THR A 80 1.569 -1.668 -5.522 1.00 73.31 H new ATOM 0 HB THR A 80 2.448 -3.847 -6.291 1.00 75.33 H new ATOM 0 HG1 THR A 80 0.575 -5.072 -7.546 1.00 51.31 H new ATOM 0 HG21 THR A 80 0.729 -5.332 -5.320 1.00 23.12 H new ATOM 0 HG22 THR A 80 0.945 -3.851 -4.356 1.00 23.12 H new ATOM 0 HG23 THR A 80 -0.463 -4.015 -5.432 1.00 23.12 H new ATOM 1277 N ILE A 81 1.507 -1.470 -8.811 1.00 71.24 N ATOM 1278 CA ILE A 81 2.218 -1.003 -10.009 1.00 21.31 C ATOM 1279 C ILE A 81 2.719 0.451 -9.859 1.00 41.14 C ATOM 1280 O ILE A 81 3.697 0.851 -10.491 1.00 13.20 O ATOM 1281 CB ILE A 81 1.310 -1.117 -11.266 1.00 31.14 C ATOM 1282 CG1 ILE A 81 2.094 -0.786 -12.551 1.00 24.11 C ATOM 1283 CG2 ILE A 81 0.084 -0.212 -11.134 1.00 62.30 C ATOM 1284 CD1 ILE A 81 3.254 -1.723 -12.822 1.00 24.13 C ATOM 0 H ILE A 81 0.538 -1.738 -8.981 1.00 71.24 H new ATOM 0 HA ILE A 81 3.089 -1.647 -10.131 1.00 21.31 H new ATOM 0 HB ILE A 81 0.968 -2.150 -11.338 1.00 31.14 H new ATOM 0 HG12 ILE A 81 1.410 -0.815 -13.399 1.00 24.11 H new ATOM 0 HG13 ILE A 81 2.472 0.234 -12.481 1.00 24.11 H new ATOM 0 HG21 ILE A 81 -0.537 -0.308 -12.025 1.00 62.30 H new ATOM 0 HG22 ILE A 81 -0.492 -0.506 -10.257 1.00 62.30 H new ATOM 0 HG23 ILE A 81 0.406 0.824 -11.026 1.00 62.30 H new ATOM 0 HD11 ILE A 81 3.755 -1.425 -13.743 1.00 24.13 H new ATOM 0 HD12 ILE A 81 3.960 -1.677 -11.993 1.00 24.13 H new ATOM 0 HD13 ILE A 81 2.882 -2.742 -12.925 1.00 24.13 H new ATOM 1296 N GLN A 82 2.057 1.224 -9.002 1.00 33.42 N ATOM 1297 CA GLN A 82 2.443 2.622 -8.759 1.00 4.13 C ATOM 1298 C GLN A 82 3.721 2.714 -7.904 1.00 14.11 C ATOM 1299 O GLN A 82 4.478 3.682 -7.999 1.00 64.13 O ATOM 1300 CB GLN A 82 1.290 3.375 -8.070 1.00 32.13 C ATOM 1301 CG GLN A 82 1.628 4.821 -7.691 1.00 35.03 C ATOM 1302 CD GLN A 82 1.959 5.694 -8.894 1.00 43.43 C ATOM 1303 OE1 GLN A 82 1.428 5.508 -9.984 1.00 3.12 O ATOM 1304 NE2 GLN A 82 2.847 6.653 -8.708 1.00 64.13 N ATOM 0 H GLN A 82 1.250 0.911 -8.462 1.00 33.42 H new ATOM 0 HA GLN A 82 2.652 3.085 -9.723 1.00 4.13 H new ATOM 0 HB2 GLN A 82 0.424 3.377 -8.732 1.00 32.13 H new ATOM 0 HB3 GLN A 82 1.002 2.832 -7.170 1.00 32.13 H new ATOM 0 HG2 GLN A 82 0.784 5.256 -7.155 1.00 35.03 H new ATOM 0 HG3 GLN A 82 2.475 4.822 -7.005 1.00 35.03 H new ATOM 0 HE21 GLN A 82 3.272 6.784 -7.790 1.00 64.13 H new ATOM 0 HE22 GLN A 82 3.108 7.263 -9.482 1.00 64.13 H new ATOM 1313 N ILE A 83 3.968 1.695 -7.084 1.00 65.33 N ATOM 1314 CA ILE A 83 5.095 1.721 -6.146 1.00 52.45 C ATOM 1315 C ILE A 83 6.445 1.548 -6.864 1.00 13.35 C ATOM 1316 O ILE A 83 6.876 0.431 -7.152 1.00 51.12 O ATOM 1317 CB ILE A 83 4.945 0.637 -5.049 1.00 65.51 C ATOM 1318 CG1 ILE A 83 3.565 0.742 -4.374 1.00 72.22 C ATOM 1319 CG2 ILE A 83 6.066 0.760 -4.014 1.00 13.23 C ATOM 1320 CD1 ILE A 83 3.288 2.092 -3.740 1.00 14.53 C ATOM 0 H ILE A 83 3.408 0.843 -7.047 1.00 65.33 H new ATOM 0 HA ILE A 83 5.081 2.704 -5.674 1.00 52.45 H new ATOM 0 HB ILE A 83 5.023 -0.343 -5.519 1.00 65.51 H new ATOM 0 HG12 ILE A 83 2.793 0.535 -5.115 1.00 72.22 H new ATOM 0 HG13 ILE A 83 3.487 -0.030 -3.609 1.00 72.22 H new ATOM 0 HG21 ILE A 83 5.944 -0.010 -3.252 1.00 13.23 H new ATOM 0 HG22 ILE A 83 7.031 0.634 -4.506 1.00 13.23 H new ATOM 0 HG23 ILE A 83 6.023 1.744 -3.546 1.00 13.23 H new ATOM 0 HD11 ILE A 83 2.297 2.084 -3.286 1.00 14.53 H new ATOM 0 HD12 ILE A 83 4.036 2.295 -2.974 1.00 14.53 H new ATOM 0 HD13 ILE A 83 3.332 2.868 -4.504 1.00 14.53 H new ATOM 1332 N ALA A 84 7.104 2.675 -7.141 1.00 41.13 N ATOM 1333 CA ALA A 84 8.412 2.689 -7.821 1.00 22.52 C ATOM 1334 C ALA A 84 9.463 1.798 -7.133 1.00 33.13 C ATOM 1335 O ALA A 84 10.442 1.387 -7.755 1.00 24.23 O ATOM 1336 CB ALA A 84 8.928 4.121 -7.905 1.00 11.01 C ATOM 0 H ALA A 84 6.753 3.603 -6.904 1.00 41.13 H new ATOM 0 HA ALA A 84 8.256 2.278 -8.818 1.00 22.52 H new ATOM 0 HB1 ALA A 84 9.895 4.130 -8.408 1.00 11.01 H new ATOM 0 HB2 ALA A 84 8.221 4.730 -8.468 1.00 11.01 H new ATOM 0 HB3 ALA A 84 9.038 4.528 -6.900 1.00 11.01 H new ATOM 1342 N ASN A 85 9.254 1.504 -5.852 1.00 43.25 N ATOM 1343 CA ASN A 85 10.221 0.724 -5.060 1.00 72.44 C ATOM 1344 C ASN A 85 10.022 -0.800 -5.212 1.00 40.44 C ATOM 1345 O ASN A 85 10.633 -1.589 -4.491 1.00 45.04 O ATOM 1346 CB ASN A 85 10.128 1.136 -3.587 1.00 64.15 C ATOM 1347 CG ASN A 85 10.508 2.591 -3.383 1.00 53.44 C ATOM 1348 OD1 ASN A 85 11.337 3.139 -4.100 1.00 45.53 O ATOM 1349 ND2 ASN A 85 9.896 3.236 -2.414 1.00 65.13 N ATOM 0 H ASN A 85 8.424 1.792 -5.333 1.00 43.25 H new ATOM 0 HA ASN A 85 11.217 0.946 -5.443 1.00 72.44 H new ATOM 0 HB2 ASN A 85 9.112 0.972 -3.227 1.00 64.15 H new ATOM 0 HB3 ASN A 85 10.784 0.502 -2.990 1.00 64.15 H new ATOM 0 HD21 ASN A 85 10.107 4.219 -2.243 1.00 65.13 H new ATOM 0 HD22 ASN A 85 9.210 2.753 -1.833 1.00 65.13 H new ATOM 1356 N PHE A 86 9.159 -1.205 -6.142 1.00 2.03 N ATOM 1357 CA PHE A 86 9.005 -2.621 -6.499 1.00 71.34 C ATOM 1358 C PHE A 86 9.852 -2.967 -7.735 1.00 54.02 C ATOM 1359 O PHE A 86 9.747 -2.301 -8.770 1.00 61.52 O ATOM 1360 CB PHE A 86 7.526 -2.953 -6.764 1.00 31.43 C ATOM 1361 CG PHE A 86 6.772 -3.412 -5.537 1.00 4.44 C ATOM 1362 CD1 PHE A 86 6.586 -2.563 -4.456 1.00 15.50 C ATOM 1363 CD2 PHE A 86 6.244 -4.697 -5.471 1.00 2.50 C ATOM 1364 CE1 PHE A 86 5.892 -2.985 -3.336 1.00 23.23 C ATOM 1365 CE2 PHE A 86 5.552 -5.122 -4.355 1.00 4.43 C ATOM 1366 CZ PHE A 86 5.376 -4.265 -3.285 1.00 65.23 C ATOM 0 H PHE A 86 8.553 -0.573 -6.665 1.00 2.03 H new ATOM 0 HA PHE A 86 9.355 -3.221 -5.659 1.00 71.34 H new ATOM 0 HB2 PHE A 86 7.033 -2.071 -7.172 1.00 31.43 H new ATOM 0 HB3 PHE A 86 7.469 -3.731 -7.525 1.00 31.43 H new ATOM 0 HD1 PHE A 86 6.988 -1.561 -4.489 1.00 15.50 H new ATOM 0 HD2 PHE A 86 6.377 -5.371 -6.304 1.00 2.50 H new ATOM 0 HE1 PHE A 86 5.754 -2.313 -2.502 1.00 23.23 H new ATOM 0 HE2 PHE A 86 5.148 -6.123 -4.318 1.00 4.43 H new ATOM 0 HZ PHE A 86 4.836 -4.596 -2.410 1.00 65.23 H new