USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 555 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD 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+ 172:sc= 0 (180deg=-0.0913) USER MOD Single : A 30 ASN : amide:sc= -0.241! C(o=-0.24!,f=-4.4!) USER MOD Single : A 31 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0454) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -34:sc= 0.999 USER MOD Single : A 39 GLN : amide:sc= -0.081 K(o=-0.081,f=-0.61) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.977 K(o=-0.98,f=-0.41) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= -0.456 K(o=-0.46,f=-4!) 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 -4:sc= 0.24 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 68 SER OG : rot -42:sc= 1.14 USER MOD Single : A 80 THR OG1 : rot -151:sc= 1.34 USER MOD Single : A 82 GLN : amide:sc= -0.488 K(o=-0.49,f=-5.8!) USER MOD Single : A 85 ASN : amide:sc= -0.409 K(o=-0.41,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 289 N LEU A 18 -7.489 -12.319 0.164 1.00 42.31 N ATOM 290 CA LEU A 18 -6.642 -11.266 0.734 1.00 42.40 C ATOM 291 C LEU A 18 -5.792 -11.805 1.893 1.00 72.32 C ATOM 292 O LEU A 18 -6.200 -12.722 2.608 1.00 53.02 O ATOM 293 CB LEU A 18 -7.508 -10.093 1.219 1.00 4.25 C ATOM 294 CG LEU A 18 -8.262 -9.334 0.114 1.00 12.21 C ATOM 295 CD1 LEU A 18 -9.214 -8.303 0.713 1.00 52.34 C ATOM 296 CD2 LEU A 18 -7.280 -8.664 -0.848 1.00 71.32 C ATOM 0 HA LEU A 18 -5.969 -10.915 -0.048 1.00 42.40 H new ATOM 0 HB2 LEU A 18 -8.235 -10.472 1.938 1.00 4.25 H new ATOM 0 HB3 LEU A 18 -6.870 -9.388 1.752 1.00 4.25 H new ATOM 0 HG LEU A 18 -8.854 -10.057 -0.447 1.00 12.21 H new ATOM 0 HD11 LEU A 18 -9.735 -7.780 -0.089 1.00 52.34 H new ATOM 0 HD12 LEU A 18 -9.941 -8.806 1.350 1.00 52.34 H new ATOM 0 HD13 LEU A 18 -8.647 -7.585 1.306 1.00 52.34 H new ATOM 0 HD21 LEU A 18 -7.834 -8.133 -1.622 1.00 71.32 H new ATOM 0 HD22 LEU A 18 -6.657 -7.958 -0.299 1.00 71.32 H new ATOM 0 HD23 LEU A 18 -6.648 -9.423 -1.310 1.00 71.32 H new ATOM 308 N SER A 19 -4.602 -11.243 2.065 1.00 32.14 N ATOM 309 CA SER A 19 -3.687 -11.687 3.126 1.00 64.25 C ATOM 310 C SER A 19 -2.868 -10.519 3.690 1.00 41.01 C ATOM 311 O SER A 19 -2.963 -9.394 3.209 1.00 54.52 O ATOM 312 CB SER A 19 -2.751 -12.782 2.595 1.00 62.45 C ATOM 313 OG SER A 19 -3.476 -13.955 2.241 1.00 14.03 O ATOM 0 H SER A 19 -4.243 -10.481 1.489 1.00 32.14 H new ATOM 0 HA SER A 19 -4.291 -12.093 3.938 1.00 64.25 H new ATOM 0 HB2 SER A 19 -2.209 -12.410 1.725 1.00 62.45 H new ATOM 0 HB3 SER A 19 -2.007 -13.027 3.353 1.00 62.45 H new ATOM 0 HG SER A 19 -2.855 -14.634 1.905 1.00 14.03 H new ATOM 319 N LEU A 20 -2.070 -10.793 4.720 1.00 11.40 N ATOM 320 CA LEU A 20 -1.233 -9.761 5.349 1.00 62.35 C ATOM 321 C LEU A 20 -0.012 -9.448 4.461 1.00 23.00 C ATOM 322 O LEU A 20 0.680 -10.358 3.996 1.00 2.22 O ATOM 323 CB LEU A 20 -0.793 -10.231 6.754 1.00 22.22 C ATOM 324 CG LEU A 20 -0.486 -9.121 7.787 1.00 2.35 C ATOM 325 CD1 LEU A 20 0.740 -8.302 7.389 1.00 71.34 C ATOM 326 CD2 LEU A 20 -1.703 -8.217 7.983 1.00 41.32 C ATOM 0 H LEU A 20 -1.982 -11.718 5.140 1.00 11.40 H new ATOM 0 HA LEU A 20 -1.812 -8.844 5.457 1.00 62.35 H new ATOM 0 HB2 LEU A 20 -1.577 -10.869 7.162 1.00 22.22 H new ATOM 0 HB3 LEU A 20 0.097 -10.850 6.644 1.00 22.22 H new ATOM 0 HG LEU A 20 -0.259 -9.607 8.736 1.00 2.35 H new ATOM 0 HD11 LEU A 20 0.923 -7.533 8.139 1.00 71.34 H new ATOM 0 HD12 LEU A 20 1.609 -8.957 7.321 1.00 71.34 H new ATOM 0 HD13 LEU A 20 0.565 -7.831 6.422 1.00 71.34 H new ATOM 0 HD21 LEU A 20 -1.467 -7.443 8.713 1.00 41.32 H new ATOM 0 HD22 LEU A 20 -1.967 -7.752 7.033 1.00 41.32 H new ATOM 0 HD23 LEU A 20 -2.543 -8.811 8.343 1.00 41.32 H new ATOM 338 N LEU A 21 0.241 -8.161 4.224 1.00 65.33 N ATOM 339 CA LEU A 21 1.346 -7.735 3.357 1.00 72.12 C ATOM 340 C LEU A 21 2.713 -8.199 3.892 1.00 53.20 C ATOM 341 O LEU A 21 3.078 -7.910 5.032 1.00 65.20 O ATOM 342 CB LEU A 21 1.340 -6.206 3.198 1.00 44.02 C ATOM 343 CG LEU A 21 2.469 -5.623 2.326 1.00 13.23 C ATOM 344 CD1 LEU A 21 2.413 -6.188 0.908 1.00 14.14 C ATOM 345 CD2 LEU A 21 2.395 -4.097 2.299 1.00 31.23 C ATOM 0 H LEU A 21 -0.303 -7.393 4.619 1.00 65.33 H new ATOM 0 HA LEU A 21 1.193 -8.204 2.385 1.00 72.12 H new ATOM 0 HB2 LEU A 21 0.383 -5.907 2.770 1.00 44.02 H new ATOM 0 HB3 LEU A 21 1.401 -5.755 4.189 1.00 44.02 H new ATOM 0 HG LEU A 21 3.421 -5.915 2.769 1.00 13.23 H new ATOM 0 HD11 LEU A 21 3.220 -5.760 0.314 1.00 14.14 H new ATOM 0 HD12 LEU A 21 2.523 -7.272 0.944 1.00 14.14 H new ATOM 0 HD13 LEU A 21 1.455 -5.936 0.453 1.00 14.14 H new ATOM 0 HD21 LEU A 21 3.200 -3.705 1.678 1.00 31.23 H new ATOM 0 HD22 LEU A 21 1.435 -3.787 1.887 1.00 31.23 H new ATOM 0 HD23 LEU A 21 2.497 -3.710 3.313 1.00 31.23 H new ATOM 357 N GLU A 22 3.455 -8.926 3.057 1.00 44.42 N ATOM 358 CA GLU A 22 4.811 -9.371 3.396 1.00 71.50 C ATOM 359 C GLU A 22 5.723 -8.177 3.730 1.00 2.33 C ATOM 360 O GLU A 22 5.680 -7.146 3.058 1.00 1.02 O ATOM 361 CB GLU A 22 5.396 -10.178 2.223 1.00 14.41 C ATOM 362 CG GLU A 22 6.859 -10.588 2.394 1.00 72.04 C ATOM 363 CD GLU A 22 7.106 -11.431 3.635 1.00 44.22 C ATOM 364 OE1 GLU A 22 6.811 -12.644 3.605 1.00 44.34 O ATOM 365 OE2 GLU A 22 7.603 -10.886 4.639 1.00 11.41 O ATOM 0 H GLU A 22 3.139 -9.222 2.134 1.00 44.42 H new ATOM 0 HA GLU A 22 4.756 -10.004 4.282 1.00 71.50 H new ATOM 0 HB2 GLU A 22 4.795 -11.077 2.083 1.00 14.41 H new ATOM 0 HB3 GLU A 22 5.303 -9.587 1.312 1.00 14.41 H new ATOM 0 HG2 GLU A 22 7.178 -11.147 1.514 1.00 72.04 H new ATOM 0 HG3 GLU A 22 7.477 -9.691 2.443 1.00 72.04 H new ATOM 372 N SER A 23 6.554 -8.338 4.761 1.00 41.34 N ATOM 373 CA SER A 23 7.467 -7.275 5.218 1.00 63.45 C ATOM 374 C SER A 23 8.316 -6.717 4.069 1.00 13.01 C ATOM 375 O SER A 23 8.549 -5.510 3.980 1.00 44.23 O ATOM 376 CB SER A 23 8.390 -7.800 6.326 1.00 62.24 C ATOM 377 OG SER A 23 9.320 -6.811 6.744 1.00 41.21 O ATOM 0 H SER A 23 6.618 -9.200 5.303 1.00 41.34 H new ATOM 0 HA SER A 23 6.848 -6.467 5.608 1.00 63.45 H new ATOM 0 HB2 SER A 23 7.791 -8.120 7.178 1.00 62.24 H new ATOM 0 HB3 SER A 23 8.928 -8.677 5.967 1.00 62.24 H new ATOM 0 HG SER A 23 9.891 -7.177 7.451 1.00 41.21 H new ATOM 383 N LYS A 24 8.764 -7.603 3.182 1.00 65.15 N ATOM 384 CA LYS A 24 9.563 -7.197 2.016 1.00 11.50 C ATOM 385 C LYS A 24 8.776 -6.252 1.092 1.00 0.35 C ATOM 386 O LYS A 24 9.354 -5.394 0.425 1.00 64.02 O ATOM 387 CB LYS A 24 10.033 -8.432 1.237 1.00 43.50 C ATOM 388 CG LYS A 24 10.834 -9.421 2.082 1.00 4.13 C ATOM 389 CD LYS A 24 12.025 -8.753 2.765 1.00 55.45 C ATOM 390 CE LYS A 24 12.844 -9.748 3.580 1.00 63.24 C ATOM 391 NZ LYS A 24 13.524 -10.751 2.717 1.00 41.43 N ATOM 0 H LYS A 24 8.590 -8.606 3.244 1.00 65.15 H new ATOM 0 HA LYS A 24 10.434 -6.654 2.383 1.00 11.50 H new ATOM 0 HB2 LYS A 24 9.163 -8.942 0.823 1.00 43.50 H new ATOM 0 HB3 LYS A 24 10.644 -8.109 0.394 1.00 43.50 H new ATOM 0 HG2 LYS A 24 10.184 -9.863 2.837 1.00 4.13 H new ATOM 0 HG3 LYS A 24 11.188 -10.235 1.450 1.00 4.13 H new ATOM 0 HD2 LYS A 24 12.662 -8.289 2.012 1.00 55.45 H new ATOM 0 HD3 LYS A 24 11.669 -7.955 3.417 1.00 55.45 H new ATOM 0 HE2 LYS A 24 13.589 -9.210 4.166 1.00 63.24 H new ATOM 0 HE3 LYS A 24 12.192 -10.261 4.287 1.00 63.24 H new ATOM 0 HZ1 LYS A 24 14.174 -11.322 3.294 1.00 41.43 H new ATOM 0 HZ2 LYS A 24 12.813 -11.372 2.280 1.00 41.43 H new ATOM 0 HZ3 LYS A 24 14.061 -10.262 1.973 1.00 41.43 H new ATOM 405 N GLY A 25 7.461 -6.433 1.038 1.00 31.24 N ATOM 406 CA GLY A 25 6.596 -5.476 0.357 1.00 40.31 C ATOM 407 C GLY A 25 6.372 -4.218 1.187 1.00 10.44 C ATOM 408 O GLY A 25 6.499 -3.098 0.693 1.00 11.24 O ATOM 0 H GLY A 25 6.974 -7.227 1.454 1.00 31.24 H new ATOM 0 HA2 GLY A 25 7.039 -5.204 -0.601 1.00 40.31 H new ATOM 0 HA3 GLY A 25 5.636 -5.944 0.142 1.00 40.31 H new ATOM 412 N LEU A 26 6.081 -4.423 2.474 1.00 41.24 N ATOM 413 CA LEU A 26 5.752 -3.331 3.403 1.00 11.43 C ATOM 414 C LEU A 26 6.821 -2.228 3.387 1.00 42.21 C ATOM 415 O LEU A 26 6.493 -1.035 3.351 1.00 14.43 O ATOM 416 CB LEU A 26 5.603 -3.890 4.828 1.00 63.24 C ATOM 417 CG LEU A 26 5.207 -2.869 5.912 1.00 73.45 C ATOM 418 CD1 LEU A 26 3.800 -2.334 5.662 1.00 31.04 C ATOM 419 CD2 LEU A 26 5.310 -3.499 7.302 1.00 35.34 C ATOM 0 H LEU A 26 6.066 -5.348 2.904 1.00 41.24 H new ATOM 0 HA LEU A 26 4.811 -2.887 3.078 1.00 11.43 H new ATOM 0 HB2 LEU A 26 4.854 -4.682 4.811 1.00 63.24 H new ATOM 0 HB3 LEU A 26 6.547 -4.351 5.118 1.00 63.24 H new ATOM 0 HG LEU A 26 5.900 -2.029 5.864 1.00 73.45 H new ATOM 0 HD11 LEU A 26 3.541 -1.615 6.439 1.00 31.04 H new ATOM 0 HD12 LEU A 26 3.764 -1.845 4.688 1.00 31.04 H new ATOM 0 HD13 LEU A 26 3.088 -3.159 5.680 1.00 31.04 H new ATOM 0 HD21 LEU A 26 5.027 -2.765 8.056 1.00 35.34 H new ATOM 0 HD22 LEU A 26 4.641 -4.358 7.363 1.00 35.34 H new ATOM 0 HD23 LEU A 26 6.335 -3.824 7.479 1.00 35.34 H new ATOM 431 N GLU A 27 8.091 -2.626 3.410 1.00 14.04 N ATOM 432 CA GLU A 27 9.196 -1.668 3.308 1.00 11.01 C ATOM 433 C GLU A 27 9.064 -0.814 2.033 1.00 42.55 C ATOM 434 O GLU A 27 9.142 0.410 2.092 1.00 1.31 O ATOM 435 CB GLU A 27 10.559 -2.392 3.327 1.00 54.44 C ATOM 436 CG GLU A 27 10.729 -3.420 2.215 1.00 1.22 C ATOM 437 CD GLU A 27 12.099 -4.086 2.215 1.00 44.52 C ATOM 438 OE1 GLU A 27 12.298 -5.046 2.989 1.00 54.34 O ATOM 439 OE2 GLU A 27 12.979 -3.661 1.432 1.00 12.55 O ATOM 0 H GLU A 27 8.382 -3.600 3.498 1.00 14.04 H new ATOM 0 HA GLU A 27 9.145 -1.008 4.174 1.00 11.01 H new ATOM 0 HB2 GLU A 27 11.354 -1.651 3.247 1.00 54.44 H new ATOM 0 HB3 GLU A 27 10.682 -2.889 4.289 1.00 54.44 H new ATOM 0 HG2 GLU A 27 9.960 -4.186 2.317 1.00 1.22 H new ATOM 0 HG3 GLU A 27 10.569 -2.934 1.253 1.00 1.22 H new ATOM 446 N ALA A 28 8.800 -1.460 0.895 1.00 1.54 N ATOM 447 CA ALA A 28 8.720 -0.756 -0.391 1.00 31.14 C ATOM 448 C ALA A 28 7.595 0.289 -0.385 1.00 72.34 C ATOM 449 O ALA A 28 7.774 1.418 -0.855 1.00 42.00 O ATOM 450 CB ALA A 28 8.524 -1.749 -1.533 1.00 5.44 C ATOM 0 H ALA A 28 8.638 -2.465 0.836 1.00 1.54 H new ATOM 0 HA ALA A 28 9.663 -0.231 -0.545 1.00 31.14 H new ATOM 0 HB1 ALA A 28 8.467 -1.210 -2.478 1.00 5.44 H new ATOM 0 HB2 ALA A 28 9.365 -2.442 -1.561 1.00 5.44 H new ATOM 0 HB3 ALA A 28 7.600 -2.306 -1.377 1.00 5.44 H new ATOM 456 N LEU A 29 6.438 -0.096 0.161 1.00 3.11 N ATOM 457 CA LEU A 29 5.306 0.825 0.318 1.00 54.43 C ATOM 458 C LEU A 29 5.712 2.066 1.132 1.00 54.12 C ATOM 459 O LEU A 29 5.529 3.199 0.686 1.00 62.42 O ATOM 460 CB LEU A 29 4.111 0.113 0.993 1.00 40.30 C ATOM 461 CG LEU A 29 3.214 -0.736 0.068 1.00 32.15 C ATOM 462 CD1 LEU A 29 2.509 0.145 -0.959 1.00 10.41 C ATOM 463 CD2 LEU A 29 4.015 -1.836 -0.629 1.00 53.01 C ATOM 0 H LEU A 29 6.259 -1.040 0.503 1.00 3.11 H new ATOM 0 HA LEU A 29 5.002 1.151 -0.677 1.00 54.43 H new ATOM 0 HB2 LEU A 29 4.498 -0.532 1.782 1.00 40.30 H new ATOM 0 HB3 LEU A 29 3.490 0.868 1.474 1.00 40.30 H new ATOM 0 HG LEU A 29 2.458 -1.216 0.690 1.00 32.15 H new ATOM 0 HD11 LEU A 29 1.882 -0.474 -1.600 1.00 10.41 H new ATOM 0 HD12 LEU A 29 1.889 0.879 -0.444 1.00 10.41 H new ATOM 0 HD13 LEU A 29 3.252 0.661 -1.567 1.00 10.41 H new ATOM 0 HD21 LEU A 29 3.353 -2.415 -1.273 1.00 53.01 H new ATOM 0 HD22 LEU A 29 4.804 -1.386 -1.231 1.00 53.01 H new ATOM 0 HD23 LEU A 29 4.459 -2.492 0.119 1.00 53.01 H new ATOM 475 N ASN A 30 6.288 1.845 2.319 1.00 41.41 N ATOM 476 CA ASN A 30 6.703 2.949 3.197 1.00 70.21 C ATOM 477 C ASN A 30 7.767 3.850 2.546 1.00 4.13 C ATOM 478 O ASN A 30 7.717 5.072 2.693 1.00 75.13 O ATOM 479 CB ASN A 30 7.200 2.420 4.547 1.00 52.22 C ATOM 480 CG ASN A 30 6.051 1.987 5.441 1.00 13.22 C ATOM 481 OD1 ASN A 30 5.476 2.796 6.156 1.00 74.20 O ATOM 482 ND2 ASN A 30 5.702 0.718 5.410 1.00 31.22 N ATOM 0 H ASN A 30 6.478 0.916 2.694 1.00 41.41 H new ATOM 0 HA ASN A 30 5.819 3.564 3.365 1.00 70.21 H new ATOM 0 HB2 ASN A 30 7.870 1.576 4.382 1.00 52.22 H new ATOM 0 HB3 ASN A 30 7.780 3.194 5.050 1.00 52.22 H new ATOM 0 HD21 ASN A 30 4.933 0.386 5.992 1.00 31.22 H new ATOM 0 HD22 ASN A 30 6.200 0.067 4.803 1.00 31.22 H new ATOM 489 N LYS A 31 8.722 3.255 1.826 1.00 61.51 N ATOM 490 CA LYS A 31 9.726 4.039 1.092 1.00 74.04 C ATOM 491 C LYS A 31 9.063 4.954 0.050 1.00 1.44 C ATOM 492 O LYS A 31 9.395 6.135 -0.057 1.00 14.31 O ATOM 493 CB LYS A 31 10.761 3.122 0.410 1.00 13.41 C ATOM 494 CG LYS A 31 11.951 2.743 1.290 1.00 73.30 C ATOM 495 CD LYS A 31 11.529 1.965 2.532 1.00 23.41 C ATOM 496 CE LYS A 31 12.722 1.538 3.377 1.00 44.14 C ATOM 497 NZ LYS A 31 13.461 2.699 3.941 1.00 24.54 N ATOM 0 H LYS A 31 8.823 2.244 1.734 1.00 61.51 H new ATOM 0 HA LYS A 31 10.245 4.663 1.820 1.00 74.04 H new ATOM 0 HB2 LYS A 31 10.261 2.210 0.085 1.00 13.41 H new ATOM 0 HB3 LYS A 31 11.132 3.618 -0.487 1.00 13.41 H new ATOM 0 HG2 LYS A 31 12.653 2.144 0.710 1.00 73.30 H new ATOM 0 HG3 LYS A 31 12.479 3.647 1.593 1.00 73.30 H new ATOM 0 HD2 LYS A 31 10.861 2.581 3.135 1.00 23.41 H new ATOM 0 HD3 LYS A 31 10.965 1.082 2.231 1.00 23.41 H new ATOM 0 HE2 LYS A 31 12.378 0.900 4.191 1.00 44.14 H new ATOM 0 HE3 LYS A 31 13.400 0.940 2.768 1.00 44.14 H new ATOM 0 HZ1 LYS A 31 14.189 2.359 4.602 1.00 24.54 H new ATOM 0 HZ2 LYS A 31 13.914 3.230 3.170 1.00 24.54 H new ATOM 0 HZ3 LYS A 31 12.798 3.320 4.446 1.00 24.54 H new ATOM 511 N ALA A 32 8.116 4.404 -0.708 1.00 52.51 N ATOM 512 CA ALA A 32 7.374 5.181 -1.703 1.00 13.45 C ATOM 513 C ALA A 32 6.530 6.286 -1.041 1.00 44.21 C ATOM 514 O ALA A 32 6.351 7.371 -1.602 1.00 12.10 O ATOM 515 CB ALA A 32 6.500 4.255 -2.542 1.00 64.52 C ATOM 0 H ALA A 32 7.843 3.423 -0.653 1.00 52.51 H new ATOM 0 HA ALA A 32 8.093 5.673 -2.358 1.00 13.45 H new ATOM 0 HB1 ALA A 32 5.952 4.841 -3.279 1.00 64.52 H new ATOM 0 HB2 ALA A 32 7.128 3.526 -3.053 1.00 64.52 H new ATOM 0 HB3 ALA A 32 5.794 3.735 -1.894 1.00 64.52 H new ATOM 521 N ILE A 33 6.020 5.999 0.158 1.00 64.21 N ATOM 522 CA ILE A 33 5.266 6.985 0.949 1.00 53.15 C ATOM 523 C ILE A 33 6.155 8.174 1.349 1.00 74.40 C ATOM 524 O ILE A 33 5.811 9.331 1.097 1.00 50.40 O ATOM 525 CB ILE A 33 4.670 6.337 2.229 1.00 61.53 C ATOM 526 CG1 ILE A 33 3.620 5.279 1.851 1.00 40.21 C ATOM 527 CG2 ILE A 33 4.065 7.393 3.156 1.00 10.04 C ATOM 528 CD1 ILE A 33 3.112 4.467 3.024 1.00 45.54 C ATOM 0 H ILE A 33 6.114 5.088 0.608 1.00 64.21 H new ATOM 0 HA ILE A 33 4.452 7.346 0.320 1.00 53.15 H new ATOM 0 HB ILE A 33 5.480 5.848 2.770 1.00 61.53 H new ATOM 0 HG12 ILE A 33 2.775 5.775 1.373 1.00 40.21 H new ATOM 0 HG13 ILE A 33 4.051 4.602 1.113 1.00 40.21 H new ATOM 0 HG21 ILE A 33 3.656 6.908 4.042 1.00 10.04 H new ATOM 0 HG22 ILE A 33 4.838 8.101 3.454 1.00 10.04 H new ATOM 0 HG23 ILE A 33 3.269 7.923 2.633 1.00 10.04 H new ATOM 0 HD11 ILE A 33 2.375 3.744 2.674 1.00 45.54 H new ATOM 0 HD12 ILE A 33 3.945 3.940 3.490 1.00 45.54 H new ATOM 0 HD13 ILE A 33 2.649 5.132 3.754 1.00 45.54 H new ATOM 540 N VAL A 34 7.304 7.881 1.959 1.00 23.35 N ATOM 541 CA VAL A 34 8.258 8.927 2.353 1.00 44.53 C ATOM 542 C VAL A 34 8.788 9.679 1.120 1.00 52.41 C ATOM 543 O VAL A 34 9.082 10.874 1.182 1.00 74.32 O ATOM 544 CB VAL A 34 9.446 8.338 3.159 1.00 61.12 C ATOM 545 CG1 VAL A 34 10.421 9.435 3.588 1.00 30.34 C ATOM 546 CG2 VAL A 34 8.937 7.558 4.374 1.00 73.44 C ATOM 0 H VAL A 34 7.599 6.933 2.192 1.00 23.35 H new ATOM 0 HA VAL A 34 7.722 9.628 2.993 1.00 44.53 H new ATOM 0 HB VAL A 34 9.986 7.649 2.509 1.00 61.12 H new ATOM 0 HG11 VAL A 34 11.243 8.992 4.151 1.00 30.34 H new ATOM 0 HG12 VAL A 34 10.815 9.937 2.705 1.00 30.34 H new ATOM 0 HG13 VAL A 34 9.901 10.159 4.215 1.00 30.34 H new ATOM 0 HG21 VAL A 34 9.784 7.152 4.927 1.00 73.44 H new ATOM 0 HG22 VAL A 34 8.367 8.224 5.021 1.00 73.44 H new ATOM 0 HG23 VAL A 34 8.297 6.741 4.040 1.00 73.44 H new ATOM 556 N SER A 35 8.901 8.965 0.002 1.00 62.01 N ATOM 557 CA SER A 35 9.295 9.569 -1.279 1.00 54.02 C ATOM 558 C SER A 35 8.203 10.516 -1.810 1.00 24.14 C ATOM 559 O SER A 35 8.477 11.399 -2.621 1.00 11.13 O ATOM 560 CB SER A 35 9.578 8.472 -2.319 1.00 73.01 C ATOM 561 OG SER A 35 9.955 9.019 -3.576 1.00 50.20 O ATOM 0 H SER A 35 8.725 7.961 -0.047 1.00 62.01 H new ATOM 0 HA SER A 35 10.201 10.151 -1.108 1.00 54.02 H new ATOM 0 HB2 SER A 35 10.372 7.821 -1.953 1.00 73.01 H new ATOM 0 HB3 SER A 35 8.690 7.852 -2.444 1.00 73.01 H new ATOM 0 HG SER A 35 10.128 8.292 -4.210 1.00 50.20 H new ATOM 567 N GLY A 36 6.966 10.325 -1.348 1.00 42.41 N ATOM 568 CA GLY A 36 5.854 11.168 -1.778 1.00 25.21 C ATOM 569 C GLY A 36 5.358 10.849 -3.186 1.00 22.43 C ATOM 570 O GLY A 36 5.150 11.753 -3.997 1.00 33.11 O ATOM 0 H GLY A 36 6.712 9.598 -0.680 1.00 42.41 H new ATOM 0 HA2 GLY A 36 5.028 11.053 -1.076 1.00 25.21 H new ATOM 0 HA3 GLY A 36 6.163 12.212 -1.738 1.00 25.21 H new ATOM 574 N THR A 37 5.169 9.562 -3.481 1.00 73.14 N ATOM 575 CA THR A 37 4.685 9.137 -4.810 1.00 31.21 C ATOM 576 C THR A 37 3.538 8.114 -4.715 1.00 12.14 C ATOM 577 O THR A 37 3.130 7.539 -5.724 1.00 25.42 O ATOM 578 CB THR A 37 5.834 8.541 -5.665 1.00 23.21 C ATOM 579 OG1 THR A 37 5.370 8.234 -6.993 1.00 62.13 O ATOM 580 CG2 THR A 37 6.412 7.283 -5.022 1.00 50.22 C ATOM 0 H THR A 37 5.340 8.796 -2.829 1.00 73.14 H new ATOM 0 HA THR A 37 4.303 10.035 -5.295 1.00 31.21 H new ATOM 0 HB THR A 37 6.621 9.293 -5.723 1.00 23.21 H new ATOM 0 HG1 THR A 37 4.435 7.944 -6.954 1.00 62.13 H new ATOM 0 HG21 THR A 37 7.215 6.891 -5.647 1.00 50.22 H new ATOM 0 HG22 THR A 37 6.806 7.527 -4.035 1.00 50.22 H new ATOM 0 HG23 THR A 37 5.629 6.532 -4.924 1.00 50.22 H new ATOM 588 N VAL A 38 3.014 7.893 -3.508 1.00 53.54 N ATOM 589 CA VAL A 38 1.893 6.961 -3.306 1.00 10.34 C ATOM 590 C VAL A 38 0.541 7.686 -3.347 1.00 72.41 C ATOM 591 O VAL A 38 0.356 8.708 -2.690 1.00 22.41 O ATOM 592 CB VAL A 38 2.011 6.203 -1.956 1.00 4.54 C ATOM 593 CG1 VAL A 38 0.784 5.327 -1.705 1.00 65.23 C ATOM 594 CG2 VAL A 38 3.285 5.363 -1.919 1.00 71.22 C ATOM 0 H VAL A 38 3.344 8.344 -2.655 1.00 53.54 H new ATOM 0 HA VAL A 38 1.943 6.244 -4.125 1.00 10.34 H new ATOM 0 HB VAL A 38 2.063 6.946 -1.160 1.00 4.54 H new ATOM 0 HG11 VAL A 38 0.896 4.809 -0.753 1.00 65.23 H new ATOM 0 HG12 VAL A 38 -0.109 5.951 -1.676 1.00 65.23 H new ATOM 0 HG13 VAL A 38 0.689 4.595 -2.507 1.00 65.23 H new ATOM 0 HG21 VAL A 38 3.348 4.840 -0.965 1.00 71.22 H new ATOM 0 HG22 VAL A 38 3.265 4.636 -2.731 1.00 71.22 H new ATOM 0 HG23 VAL A 38 4.153 6.013 -2.035 1.00 71.22 H new ATOM 604 N GLN A 39 -0.400 7.143 -4.115 1.00 22.22 N ATOM 605 CA GLN A 39 -1.756 7.697 -4.228 1.00 34.15 C ATOM 606 C GLN A 39 -2.802 6.593 -4.016 1.00 2.42 C ATOM 607 O GLN A 39 -2.812 5.602 -4.747 1.00 22.44 O ATOM 608 CB GLN A 39 -1.964 8.329 -5.616 1.00 65.52 C ATOM 609 CG GLN A 39 -0.902 9.354 -5.999 1.00 23.44 C ATOM 610 CD GLN A 39 -1.114 9.941 -7.384 1.00 11.43 C ATOM 611 OE1 GLN A 39 -1.667 9.299 -8.271 1.00 52.33 O ATOM 612 NE2 GLN A 39 -0.665 11.162 -7.588 1.00 14.43 N ATOM 0 H GLN A 39 -0.249 6.306 -4.679 1.00 22.22 H new ATOM 0 HA GLN A 39 -1.875 8.462 -3.461 1.00 34.15 H new ATOM 0 HB2 GLN A 39 -1.977 7.538 -6.365 1.00 65.52 H new ATOM 0 HB3 GLN A 39 -2.943 8.809 -5.642 1.00 65.52 H new ATOM 0 HG2 GLN A 39 -0.902 10.160 -5.265 1.00 23.44 H new ATOM 0 HG3 GLN A 39 0.081 8.884 -5.956 1.00 23.44 H new ATOM 0 HE21 GLN A 39 -0.209 11.671 -6.831 1.00 14.43 H new ATOM 0 HE22 GLN A 39 -0.773 11.599 -8.503 1.00 14.43 H new ATOM 621 N ARG A 40 -3.684 6.756 -3.026 1.00 71.32 N ATOM 622 CA ARG A 40 -4.725 5.747 -2.778 1.00 50.33 C ATOM 623 C ARG A 40 -5.949 5.985 -3.681 1.00 73.24 C ATOM 624 O ARG A 40 -5.954 6.914 -4.485 1.00 1.02 O ATOM 625 CB ARG A 40 -5.114 5.695 -1.290 1.00 62.34 C ATOM 626 CG ARG A 40 -5.915 6.884 -0.760 1.00 1.50 C ATOM 627 CD ARG A 40 -6.212 6.710 0.732 1.00 74.42 C ATOM 628 NE ARG A 40 -7.179 7.682 1.233 1.00 51.32 N ATOM 629 CZ ARG A 40 -7.366 7.947 2.503 1.00 62.32 C ATOM 630 NH1 ARG A 40 -6.646 7.375 3.418 1.00 74.40 N ATOM 631 NH2 ARG A 40 -8.277 8.790 2.858 1.00 54.50 N ATOM 0 H ARG A 40 -3.702 7.557 -2.394 1.00 71.32 H new ATOM 0 HA ARG A 40 -4.314 4.771 -3.034 1.00 50.33 H new ATOM 0 HB2 ARG A 40 -5.694 4.788 -1.119 1.00 62.34 H new ATOM 0 HB3 ARG A 40 -4.202 5.606 -0.700 1.00 62.34 H new ATOM 0 HG2 ARG A 40 -5.357 7.806 -0.920 1.00 1.50 H new ATOM 0 HG3 ARG A 40 -6.849 6.976 -1.314 1.00 1.50 H new ATOM 0 HD2 ARG A 40 -6.591 5.703 0.907 1.00 74.42 H new ATOM 0 HD3 ARG A 40 -5.284 6.804 1.296 1.00 74.42 H new ATOM 0 HE ARG A 40 -7.745 8.187 0.551 1.00 51.32 H new ATOM 0 HH11 ARG A 40 -5.921 6.708 3.154 1.00 74.40 H new ATOM 0 HH12 ARG A 40 -6.805 7.593 4.402 1.00 74.40 H new ATOM 0 HH21 ARG A 40 -8.851 9.249 2.150 1.00 54.50 H new ATOM 0 HH22 ARG A 40 -8.423 8.997 3.846 1.00 54.50 H new ATOM 645 N ALA A 41 -6.987 5.156 -3.538 1.00 61.11 N ATOM 646 CA ALA A 41 -8.115 5.137 -4.492 1.00 21.22 C ATOM 647 C ALA A 41 -8.846 6.490 -4.646 1.00 64.15 C ATOM 648 O ALA A 41 -9.616 6.669 -5.591 1.00 70.23 O ATOM 649 CB ALA A 41 -9.107 4.049 -4.107 1.00 31.01 C ATOM 0 H ALA A 41 -7.076 4.487 -2.773 1.00 61.11 H new ATOM 0 HA ALA A 41 -7.674 4.926 -5.466 1.00 21.22 H new ATOM 0 HB1 ALA A 41 -9.934 4.044 -4.816 1.00 31.01 H new ATOM 0 HB2 ALA A 41 -8.609 3.080 -4.123 1.00 31.01 H new ATOM 0 HB3 ALA A 41 -9.489 4.243 -3.105 1.00 31.01 H new ATOM 655 N ASP A 42 -8.628 7.430 -3.727 1.00 72.53 N ATOM 656 CA ASP A 42 -9.213 8.777 -3.853 1.00 24.55 C ATOM 657 C ASP A 42 -8.464 9.627 -4.897 1.00 14.20 C ATOM 658 O ASP A 42 -8.980 10.636 -5.385 1.00 20.51 O ATOM 659 CB ASP A 42 -9.182 9.504 -2.502 1.00 50.51 C ATOM 660 CG ASP A 42 -9.956 8.767 -1.430 1.00 35.13 C ATOM 661 OD1 ASP A 42 -11.206 8.759 -1.487 1.00 1.44 O ATOM 662 OD2 ASP A 42 -9.323 8.203 -0.519 1.00 13.31 O ATOM 0 H ASP A 42 -8.057 7.292 -2.893 1.00 72.53 H new ATOM 0 HA ASP A 42 -10.244 8.650 -4.182 1.00 24.55 H new ATOM 0 HB2 ASP A 42 -8.147 9.624 -2.181 1.00 50.51 H new ATOM 0 HB3 ASP A 42 -9.597 10.505 -2.622 1.00 50.51 H new ATOM 667 N GLY A 43 -7.255 9.198 -5.245 1.00 44.41 N ATOM 668 CA GLY A 43 -6.380 9.991 -6.098 1.00 15.44 C ATOM 669 C GLY A 43 -5.529 10.972 -5.297 1.00 33.12 C ATOM 670 O GLY A 43 -5.004 11.944 -5.841 1.00 71.25 O ATOM 0 H GLY A 43 -6.860 8.305 -4.949 1.00 44.41 H new ATOM 0 HA2 GLY A 43 -5.728 9.326 -6.665 1.00 15.44 H new ATOM 0 HA3 GLY A 43 -6.982 10.541 -6.821 1.00 15.44 H new ATOM 674 N SER A 44 -5.383 10.704 -3.998 1.00 50.01 N ATOM 675 CA SER A 44 -4.643 11.601 -3.092 1.00 21.21 C ATOM 676 C SER A 44 -3.327 10.969 -2.632 1.00 60.52 C ATOM 677 O SER A 44 -3.255 9.754 -2.409 1.00 54.12 O ATOM 678 CB SER A 44 -5.496 11.938 -1.859 1.00 33.35 C ATOM 679 OG SER A 44 -6.743 12.507 -2.225 1.00 25.43 O ATOM 0 H SER A 44 -5.765 9.874 -3.544 1.00 50.01 H new ATOM 0 HA SER A 44 -4.419 12.512 -3.647 1.00 21.21 H new ATOM 0 HB2 SER A 44 -5.666 11.033 -1.275 1.00 33.35 H new ATOM 0 HB3 SER A 44 -4.952 12.633 -1.219 1.00 33.35 H new ATOM 0 HG SER A 44 -7.261 12.708 -1.417 1.00 25.43 H new ATOM 685 N ILE A 45 -2.290 11.796 -2.484 1.00 71.13 N ATOM 686 CA ILE A 45 -0.993 11.329 -1.982 1.00 62.10 C ATOM 687 C ILE A 45 -1.102 10.858 -0.523 1.00 2.51 C ATOM 688 O ILE A 45 -1.677 11.543 0.327 1.00 71.10 O ATOM 689 CB ILE A 45 0.097 12.433 -2.076 1.00 1.40 C ATOM 690 CG1 ILE A 45 0.351 12.826 -3.544 1.00 65.30 C ATOM 691 CG2 ILE A 45 1.397 11.973 -1.407 1.00 15.42 C ATOM 692 CD1 ILE A 45 1.053 11.759 -4.360 1.00 24.42 C ATOM 0 H ILE A 45 -2.321 12.792 -2.704 1.00 71.13 H new ATOM 0 HA ILE A 45 -0.699 10.492 -2.615 1.00 62.10 H new ATOM 0 HB ILE A 45 -0.266 13.313 -1.545 1.00 1.40 H new ATOM 0 HG12 ILE A 45 -0.603 13.060 -4.016 1.00 65.30 H new ATOM 0 HG13 ILE A 45 0.949 13.737 -3.566 1.00 65.30 H new ATOM 0 HG21 ILE A 45 2.145 12.762 -1.485 1.00 15.42 H new ATOM 0 HG22 ILE A 45 1.208 11.755 -0.356 1.00 15.42 H new ATOM 0 HG23 ILE A 45 1.764 11.075 -1.904 1.00 15.42 H new ATOM 0 HD11 ILE A 45 1.193 12.115 -5.381 1.00 24.42 H new ATOM 0 HD12 ILE A 45 2.024 11.541 -3.915 1.00 24.42 H new ATOM 0 HD13 ILE A 45 0.447 10.853 -4.372 1.00 24.42 H new ATOM 704 N GLN A 46 -0.560 9.679 -0.245 1.00 23.04 N ATOM 705 CA GLN A 46 -0.524 9.139 1.112 1.00 45.12 C ATOM 706 C GLN A 46 0.771 9.560 1.824 1.00 15.22 C ATOM 707 O GLN A 46 1.835 8.988 1.591 1.00 42.11 O ATOM 708 CB GLN A 46 -0.659 7.608 1.067 1.00 14.40 C ATOM 709 CG GLN A 46 -0.587 6.925 2.430 1.00 24.14 C ATOM 710 CD GLN A 46 -0.993 5.464 2.370 1.00 33.35 C ATOM 711 OE1 GLN A 46 -2.160 5.127 2.541 1.00 54.24 O ATOM 712 NE2 GLN A 46 -0.049 4.584 2.115 1.00 43.40 N ATOM 0 H GLN A 46 -0.135 9.073 -0.947 1.00 23.04 H new ATOM 0 HA GLN A 46 -1.362 9.543 1.680 1.00 45.12 H new ATOM 0 HB2 GLN A 46 -1.609 7.354 0.597 1.00 14.40 H new ATOM 0 HB3 GLN A 46 0.129 7.205 0.431 1.00 14.40 H new ATOM 0 HG2 GLN A 46 0.429 7.001 2.818 1.00 24.14 H new ATOM 0 HG3 GLN A 46 -1.236 7.451 3.131 1.00 24.14 H new ATOM 0 HE21 GLN A 46 0.913 4.894 1.977 1.00 43.40 H new ATOM 0 HE22 GLN A 46 -0.279 3.592 2.055 1.00 43.40 H new ATOM 721 N ASN A 47 0.670 10.575 2.679 1.00 5.40 N ATOM 722 CA ASN A 47 1.833 11.122 3.390 1.00 5.23 C ATOM 723 C ASN A 47 2.064 10.402 4.730 1.00 44.14 C ATOM 724 O ASN A 47 3.036 10.674 5.437 1.00 73.53 O ATOM 725 CB ASN A 47 1.645 12.627 3.627 1.00 40.24 C ATOM 726 CG ASN A 47 1.455 13.399 2.331 1.00 31.02 C ATOM 727 OD1 ASN A 47 2.414 13.863 1.723 1.00 4.34 O ATOM 728 ND2 ASN A 47 0.220 13.561 1.900 1.00 32.23 N ATOM 0 H ASN A 47 -0.210 11.041 2.900 1.00 5.40 H new ATOM 0 HA ASN A 47 2.713 10.961 2.767 1.00 5.23 H new ATOM 0 HB2 ASN A 47 0.780 12.785 4.271 1.00 40.24 H new ATOM 0 HB3 ASN A 47 2.513 13.020 4.157 1.00 40.24 H new ATOM 0 HD21 ASN A 47 0.044 14.083 1.041 1.00 32.23 H new ATOM 0 HD22 ASN A 47 -0.560 13.165 2.425 1.00 32.23 H new ATOM 735 N GLN A 48 1.155 9.491 5.075 1.00 3.15 N ATOM 736 CA GLN A 48 1.258 8.709 6.313 1.00 43.25 C ATOM 737 C GLN A 48 1.834 7.307 6.049 1.00 75.01 C ATOM 738 O GLN A 48 1.300 6.547 5.238 1.00 71.22 O ATOM 739 CB GLN A 48 -0.124 8.590 6.974 1.00 13.21 C ATOM 740 CG GLN A 48 -0.720 9.929 7.410 1.00 5.32 C ATOM 741 CD GLN A 48 -0.049 10.517 8.645 1.00 54.13 C ATOM 742 OE1 GLN A 48 1.123 10.278 8.919 1.00 71.22 O ATOM 743 NE2 GLN A 48 -0.787 11.300 9.400 1.00 42.40 N ATOM 0 H GLN A 48 0.333 9.273 4.512 1.00 3.15 H new ATOM 0 HA GLN A 48 1.940 9.232 6.983 1.00 43.25 H new ATOM 0 HB2 GLN A 48 -0.809 8.108 6.276 1.00 13.21 H new ATOM 0 HB3 GLN A 48 -0.045 7.938 7.844 1.00 13.21 H new ATOM 0 HG2 GLN A 48 -0.638 10.640 6.588 1.00 5.32 H new ATOM 0 HG3 GLN A 48 -1.783 9.797 7.612 1.00 5.32 H new ATOM 0 HE21 GLN A 48 -1.759 11.482 9.149 1.00 42.40 H new ATOM 0 HE22 GLN A 48 -0.388 11.726 10.237 1.00 42.40 H new ATOM 752 N SER A 49 2.920 6.971 6.741 1.00 54.44 N ATOM 753 CA SER A 49 3.564 5.656 6.598 1.00 14.02 C ATOM 754 C SER A 49 2.753 4.553 7.296 1.00 65.13 C ATOM 755 O SER A 49 2.621 4.544 8.521 1.00 53.32 O ATOM 756 CB SER A 49 4.988 5.691 7.176 1.00 63.10 C ATOM 757 OG SER A 49 5.804 6.638 6.500 1.00 44.44 O ATOM 0 H SER A 49 3.378 7.590 7.410 1.00 54.44 H new ATOM 0 HA SER A 49 3.609 5.428 5.533 1.00 14.02 H new ATOM 0 HB2 SER A 49 4.945 5.939 8.237 1.00 63.10 H new ATOM 0 HB3 SER A 49 5.437 4.701 7.098 1.00 63.10 H new ATOM 0 HG SER A 49 6.702 6.636 6.893 1.00 44.44 H new ATOM 763 N LEU A 50 2.210 3.619 6.512 1.00 12.31 N ATOM 764 CA LEU A 50 1.433 2.504 7.069 1.00 73.33 C ATOM 765 C LEU A 50 2.340 1.416 7.676 1.00 74.03 C ATOM 766 O LEU A 50 3.306 0.964 7.060 1.00 34.42 O ATOM 767 CB LEU A 50 0.465 1.918 6.012 1.00 41.01 C ATOM 768 CG LEU A 50 1.013 1.731 4.575 1.00 24.42 C ATOM 769 CD1 LEU A 50 2.000 0.569 4.482 1.00 61.03 C ATOM 770 CD2 LEU A 50 -0.133 1.527 3.584 1.00 61.53 C ATOM 0 H LEU A 50 2.292 3.610 5.495 1.00 12.31 H new ATOM 0 HA LEU A 50 0.831 2.902 7.886 1.00 73.33 H new ATOM 0 HB2 LEU A 50 0.120 0.948 6.371 1.00 41.01 H new ATOM 0 HB3 LEU A 50 -0.409 2.567 5.958 1.00 41.01 H new ATOM 0 HG LEU A 50 1.552 2.643 4.318 1.00 24.42 H new ATOM 0 HD11 LEU A 50 2.357 0.476 3.456 1.00 61.03 H new ATOM 0 HD12 LEU A 50 2.845 0.755 5.145 1.00 61.03 H new ATOM 0 HD13 LEU A 50 1.503 -0.355 4.778 1.00 61.03 H new ATOM 0 HD21 LEU A 50 0.272 1.398 2.581 1.00 61.53 H new ATOM 0 HD22 LEU A 50 -0.702 0.640 3.863 1.00 61.53 H new ATOM 0 HD23 LEU A 50 -0.788 2.398 3.601 1.00 61.53 H new ATOM 782 N HIS A 51 2.026 1.007 8.901 1.00 64.35 N ATOM 783 CA HIS A 51 2.813 -0.007 9.606 1.00 71.13 C ATOM 784 C HIS A 51 2.307 -1.426 9.286 1.00 23.03 C ATOM 785 O HIS A 51 3.073 -2.392 9.302 1.00 1.33 O ATOM 786 CB HIS A 51 2.762 0.243 11.119 1.00 25.24 C ATOM 787 CG HIS A 51 3.043 1.661 11.510 1.00 20.33 C ATOM 788 ND1 HIS A 51 4.311 2.203 11.540 1.00 62.50 N ATOM 789 CD2 HIS A 51 2.209 2.656 11.894 1.00 64.32 C ATOM 790 CE1 HIS A 51 4.243 3.461 11.924 1.00 34.52 C ATOM 791 NE2 HIS A 51 2.981 3.759 12.145 1.00 20.24 N ATOM 0 H HIS A 51 1.230 1.362 9.430 1.00 64.35 H new ATOM 0 HA HIS A 51 3.846 0.069 9.265 1.00 71.13 H new ATOM 0 HB2 HIS A 51 1.776 -0.037 11.491 1.00 25.24 H new ATOM 0 HB3 HIS A 51 3.485 -0.409 11.610 1.00 25.24 H new ATOM 0 HD2 HIS A 51 1.135 2.592 11.985 1.00 64.32 H new ATOM 0 HE1 HIS A 51 5.081 4.133 12.038 1.00 34.52 H new ATOM 0 HE2 HIS A 51 2.633 4.667 12.454 1.00 20.24 H new ATOM 800 N GLU A 52 1.009 -1.540 9.005 1.00 1.40 N ATOM 801 CA GLU A 52 0.402 -2.811 8.586 1.00 42.05 C ATOM 802 C GLU A 52 -0.449 -2.614 7.321 1.00 54.21 C ATOM 803 O GLU A 52 -1.002 -1.535 7.091 1.00 64.05 O ATOM 804 CB GLU A 52 -0.462 -3.408 9.716 1.00 12.41 C ATOM 805 CG GLU A 52 0.329 -3.822 10.963 1.00 2.30 C ATOM 806 CD GLU A 52 -0.006 -2.989 12.193 1.00 53.24 C ATOM 807 OE1 GLU A 52 0.520 -1.865 12.321 1.00 50.50 O ATOM 808 OE2 GLU A 52 -0.793 -3.458 13.044 1.00 62.51 O ATOM 0 H GLU A 52 0.350 -0.763 9.060 1.00 1.40 H new ATOM 0 HA GLU A 52 1.209 -3.509 8.362 1.00 42.05 H new ATOM 0 HB2 GLU A 52 -1.217 -2.677 10.005 1.00 12.41 H new ATOM 0 HB3 GLU A 52 -0.992 -4.279 9.331 1.00 12.41 H new ATOM 0 HG2 GLU A 52 0.130 -4.872 11.179 1.00 2.30 H new ATOM 0 HG3 GLU A 52 1.395 -3.736 10.754 1.00 2.30 H new ATOM 815 N ALA A 53 -0.558 -3.660 6.501 1.00 12.21 N ATOM 816 CA ALA A 53 -1.321 -3.586 5.249 1.00 50.52 C ATOM 817 C ALA A 53 -1.786 -4.969 4.763 1.00 5.44 C ATOM 818 O ALA A 53 -1.364 -6.002 5.288 1.00 60.24 O ATOM 819 CB ALA A 53 -0.490 -2.897 4.168 1.00 63.21 C ATOM 0 H ALA A 53 -0.129 -4.568 6.679 1.00 12.21 H new ATOM 0 HA ALA A 53 -2.217 -2.999 5.450 1.00 50.52 H new ATOM 0 HB1 ALA A 53 -1.065 -2.847 3.243 1.00 63.21 H new ATOM 0 HB2 ALA A 53 -0.236 -1.888 4.492 1.00 63.21 H new ATOM 0 HB3 ALA A 53 0.425 -3.464 3.996 1.00 63.21 H new ATOM 825 N LEU A 54 -2.658 -4.973 3.757 1.00 52.23 N ATOM 826 CA LEU A 54 -3.213 -6.206 3.182 1.00 23.45 C ATOM 827 C LEU A 54 -2.774 -6.380 1.719 1.00 45.20 C ATOM 828 O LEU A 54 -2.966 -5.486 0.897 1.00 63.30 O ATOM 829 CB LEU A 54 -4.748 -6.167 3.243 1.00 63.21 C ATOM 830 CG LEU A 54 -5.352 -6.087 4.654 1.00 23.13 C ATOM 831 CD1 LEU A 54 -6.841 -5.755 4.592 1.00 15.41 C ATOM 832 CD2 LEU A 54 -5.127 -7.396 5.411 1.00 4.11 C ATOM 0 H LEU A 54 -3.003 -4.122 3.314 1.00 52.23 H new ATOM 0 HA LEU A 54 -2.837 -7.047 3.765 1.00 23.45 H new ATOM 0 HB2 LEU A 54 -5.095 -5.308 2.669 1.00 63.21 H new ATOM 0 HB3 LEU A 54 -5.137 -7.058 2.750 1.00 63.21 H new ATOM 0 HG LEU A 54 -4.847 -5.285 5.192 1.00 23.13 H new ATOM 0 HD11 LEU A 54 -7.245 -5.704 5.603 1.00 15.41 H new ATOM 0 HD12 LEU A 54 -6.979 -4.794 4.097 1.00 15.41 H new ATOM 0 HD13 LEU A 54 -7.364 -6.530 4.031 1.00 15.41 H new ATOM 0 HD21 LEU A 54 -5.562 -7.319 6.408 1.00 4.11 H new ATOM 0 HD22 LEU A 54 -5.601 -8.215 4.870 1.00 4.11 H new ATOM 0 HD23 LEU A 54 -4.057 -7.588 5.496 1.00 4.11 H new ATOM 844 N ILE A 55 -2.210 -7.537 1.393 1.00 21.04 N ATOM 845 CA ILE A 55 -1.753 -7.818 0.028 1.00 21.03 C ATOM 846 C ILE A 55 -2.749 -8.716 -0.724 1.00 2.25 C ATOM 847 O ILE A 55 -3.255 -9.704 -0.185 1.00 12.25 O ATOM 848 CB ILE A 55 -0.352 -8.493 0.027 1.00 53.34 C ATOM 849 CG1 ILE A 55 0.146 -8.730 -1.414 1.00 10.20 C ATOM 850 CG2 ILE A 55 -0.379 -9.806 0.810 1.00 63.34 C ATOM 851 CD1 ILE A 55 0.343 -7.459 -2.214 1.00 42.54 C ATOM 0 H ILE A 55 -2.056 -8.300 2.053 1.00 21.04 H new ATOM 0 HA ILE A 55 -1.685 -6.858 -0.484 1.00 21.03 H new ATOM 0 HB ILE A 55 0.346 -7.816 0.520 1.00 53.34 H new ATOM 0 HG12 ILE A 55 1.090 -9.274 -1.377 1.00 10.20 H new ATOM 0 HG13 ILE A 55 -0.569 -9.368 -1.934 1.00 10.20 H new ATOM 0 HG21 ILE A 55 0.612 -10.259 0.795 1.00 63.34 H new ATOM 0 HG22 ILE A 55 -0.672 -9.609 1.841 1.00 63.34 H new ATOM 0 HG23 ILE A 55 -1.096 -10.487 0.353 1.00 63.34 H new ATOM 0 HD11 ILE A 55 0.694 -7.710 -3.215 1.00 42.54 H new ATOM 0 HD12 ILE A 55 -0.604 -6.923 -2.285 1.00 42.54 H new ATOM 0 HD13 ILE A 55 1.081 -6.828 -1.719 1.00 42.54 H new ATOM 863 N THR A 56 -3.044 -8.343 -1.968 1.00 11.44 N ATOM 864 CA THR A 56 -3.871 -9.170 -2.854 1.00 3.21 C ATOM 865 C THR A 56 -3.098 -10.406 -3.331 1.00 34.24 C ATOM 866 O THR A 56 -1.890 -10.339 -3.549 1.00 10.13 O ATOM 867 CB THR A 56 -4.352 -8.371 -4.091 1.00 2.14 C ATOM 868 OG1 THR A 56 -3.228 -7.853 -4.822 1.00 1.22 O ATOM 869 CG2 THR A 56 -5.264 -7.220 -3.676 1.00 14.31 C ATOM 0 H THR A 56 -2.723 -7.471 -2.389 1.00 11.44 H new ATOM 0 HA THR A 56 -4.739 -9.484 -2.274 1.00 3.21 H new ATOM 0 HB THR A 56 -4.915 -9.052 -4.730 1.00 2.14 H new ATOM 0 HG1 THR A 56 -2.400 -8.063 -4.341 1.00 1.22 H new ATOM 0 HG21 THR A 56 -5.588 -6.675 -4.562 1.00 14.31 H new ATOM 0 HG22 THR A 56 -6.136 -7.616 -3.155 1.00 14.31 H new ATOM 0 HG23 THR A 56 -4.721 -6.546 -3.014 1.00 14.31 H new ATOM 877 N ARG A 57 -3.798 -11.527 -3.503 1.00 41.00 N ATOM 878 CA ARG A 57 -3.153 -12.790 -3.896 1.00 51.11 C ATOM 879 C ARG A 57 -2.404 -12.673 -5.241 1.00 3.02 C ATOM 880 O ARG A 57 -1.383 -13.328 -5.447 1.00 62.41 O ATOM 881 CB ARG A 57 -4.188 -13.928 -3.968 1.00 62.31 C ATOM 882 CG ARG A 57 -3.573 -15.303 -4.240 1.00 72.43 C ATOM 883 CD ARG A 57 -2.607 -15.733 -3.132 1.00 62.42 C ATOM 884 NE ARG A 57 -1.870 -16.948 -3.475 1.00 61.12 N ATOM 885 CZ ARG A 57 -1.170 -17.646 -2.622 1.00 21.52 C ATOM 886 NH1 ARG A 57 -1.145 -17.330 -1.368 1.00 65.11 N ATOM 887 NH2 ARG A 57 -0.506 -18.678 -3.021 1.00 73.24 N ATOM 0 H ARG A 57 -4.808 -11.592 -3.378 1.00 41.00 H new ATOM 0 HA ARG A 57 -2.415 -13.020 -3.128 1.00 51.11 H new ATOM 0 HB2 ARG A 57 -4.739 -13.966 -3.028 1.00 62.31 H new ATOM 0 HB3 ARG A 57 -4.910 -13.701 -4.752 1.00 62.31 H new ATOM 0 HG2 ARG A 57 -4.368 -16.043 -4.334 1.00 72.43 H new ATOM 0 HG3 ARG A 57 -3.044 -15.281 -5.193 1.00 72.43 H new ATOM 0 HD2 ARG A 57 -1.901 -14.926 -2.936 1.00 62.42 H new ATOM 0 HD3 ARG A 57 -3.166 -15.898 -2.211 1.00 62.42 H new ATOM 0 HE ARG A 57 -1.905 -17.271 -4.442 1.00 61.12 H new ATOM 0 HH11 ARG A 57 -1.677 -16.526 -1.034 1.00 65.11 H new ATOM 0 HH12 ARG A 57 -0.594 -17.885 -0.713 1.00 65.11 H new ATOM 0 HH21 ARG A 57 -0.527 -18.949 -4.004 1.00 73.24 H new ATOM 0 HH22 ARG A 57 0.040 -19.222 -2.353 1.00 73.24 H new ATOM 901 N ASP A 58 -2.909 -11.836 -6.150 1.00 3.52 N ATOM 902 CA ASP A 58 -2.263 -11.632 -7.456 1.00 62.32 C ATOM 903 C ASP A 58 -1.171 -10.539 -7.382 1.00 31.14 C ATOM 904 O ASP A 58 -0.545 -10.197 -8.385 1.00 2.44 O ATOM 905 CB ASP A 58 -3.322 -11.277 -8.510 1.00 15.32 C ATOM 906 CG ASP A 58 -2.799 -11.419 -9.935 1.00 33.32 C ATOM 907 OD1 ASP A 58 -2.635 -12.566 -10.402 1.00 24.10 O ATOM 908 OD2 ASP A 58 -2.546 -10.391 -10.592 1.00 33.01 O ATOM 0 H ASP A 58 -3.759 -11.289 -6.010 1.00 3.52 H new ATOM 0 HA ASP A 58 -1.772 -12.561 -7.746 1.00 62.32 H new ATOM 0 HB2 ASP A 58 -4.190 -11.923 -8.379 1.00 15.32 H new ATOM 0 HB3 ASP A 58 -3.659 -10.253 -8.351 1.00 15.32 H new ATOM 913 N ARG A 59 -0.935 -10.024 -6.169 1.00 41.35 N ATOM 914 CA ARG A 59 0.074 -8.974 -5.910 1.00 73.44 C ATOM 915 C ARG A 59 -0.255 -7.650 -6.620 1.00 34.01 C ATOM 916 O ARG A 59 0.627 -6.812 -6.819 1.00 23.10 O ATOM 917 CB ARG A 59 1.491 -9.430 -6.321 1.00 65.45 C ATOM 918 CG ARG A 59 2.081 -10.566 -5.484 1.00 50.24 C ATOM 919 CD ARG A 59 1.470 -11.920 -5.830 1.00 52.02 C ATOM 920 NE ARG A 59 2.172 -13.017 -5.171 1.00 34.33 N ATOM 921 CZ ARG A 59 3.073 -13.758 -5.755 1.00 72.01 C ATOM 922 NH1 ARG A 59 3.386 -13.567 -6.996 1.00 53.14 N ATOM 923 NH2 ARG A 59 3.653 -14.706 -5.101 1.00 44.14 N ATOM 0 H ARG A 59 -1.437 -10.321 -5.332 1.00 41.35 H new ATOM 0 HA ARG A 59 0.048 -8.802 -4.834 1.00 73.44 H new ATOM 0 HB2 ARG A 59 1.465 -9.745 -7.364 1.00 65.45 H new ATOM 0 HB3 ARG A 59 2.162 -8.573 -6.264 1.00 65.45 H new ATOM 0 HG2 ARG A 59 3.159 -10.606 -5.640 1.00 50.24 H new ATOM 0 HG3 ARG A 59 1.919 -10.357 -4.427 1.00 50.24 H new ATOM 0 HD2 ARG A 59 0.421 -11.931 -5.535 1.00 52.02 H new ATOM 0 HD3 ARG A 59 1.499 -12.067 -6.910 1.00 52.02 H new ATOM 0 HE ARG A 59 1.945 -13.216 -4.197 1.00 34.33 H new ATOM 0 HH11 ARG A 59 2.926 -12.830 -7.530 1.00 53.14 H new ATOM 0 HH12 ARG A 59 4.092 -14.154 -7.440 1.00 53.14 H new ATOM 0 HH21 ARG A 59 3.407 -14.877 -4.126 1.00 44.14 H new ATOM 0 HH22 ARG A 59 4.357 -15.285 -5.559 1.00 44.14 H new ATOM 937 N LYS A 60 -1.519 -7.448 -6.972 1.00 12.31 N ATOM 938 CA LYS A 60 -1.936 -6.226 -7.673 1.00 11.14 C ATOM 939 C LYS A 60 -2.095 -5.039 -6.715 1.00 24.10 C ATOM 940 O LYS A 60 -1.393 -4.038 -6.829 1.00 72.51 O ATOM 941 CB LYS A 60 -3.253 -6.443 -8.426 1.00 22.52 C ATOM 942 CG LYS A 60 -3.138 -7.368 -9.630 1.00 61.35 C ATOM 943 CD LYS A 60 -4.397 -7.321 -10.495 1.00 72.13 C ATOM 944 CE LYS A 60 -4.685 -5.906 -10.984 1.00 11.42 C ATOM 945 NZ LYS A 60 -5.865 -5.854 -11.882 1.00 52.22 N ATOM 0 H LYS A 60 -2.275 -8.108 -6.787 1.00 12.31 H new ATOM 0 HA LYS A 60 -1.144 -5.994 -8.385 1.00 11.14 H new ATOM 0 HB2 LYS A 60 -3.990 -6.853 -7.736 1.00 22.52 H new ATOM 0 HB3 LYS A 60 -3.632 -5.477 -8.759 1.00 22.52 H new ATOM 0 HG2 LYS A 60 -2.273 -7.082 -10.229 1.00 61.35 H new ATOM 0 HG3 LYS A 60 -2.967 -8.389 -9.290 1.00 61.35 H new ATOM 0 HD2 LYS A 60 -4.277 -7.986 -11.351 1.00 72.13 H new ATOM 0 HD3 LYS A 60 -5.248 -7.689 -9.922 1.00 72.13 H new ATOM 0 HE2 LYS A 60 -4.854 -5.254 -10.127 1.00 11.42 H new ATOM 0 HE3 LYS A 60 -3.812 -5.520 -11.511 1.00 11.42 H new ATOM 0 HZ1 LYS A 60 -6.024 -4.873 -12.190 1.00 52.22 H new ATOM 0 HZ2 LYS A 60 -5.695 -6.455 -12.714 1.00 52.22 H new ATOM 0 HZ3 LYS A 60 -6.704 -6.197 -11.373 1.00 52.22 H new ATOM 959 N GLN A 61 -3.026 -5.158 -5.774 1.00 61.52 N ATOM 960 CA GLN A 61 -3.373 -4.042 -4.887 1.00 13.14 C ATOM 961 C GLN A 61 -2.968 -4.316 -3.429 1.00 12.11 C ATOM 962 O GLN A 61 -2.776 -5.468 -3.021 1.00 10.21 O ATOM 963 CB GLN A 61 -4.882 -3.768 -4.969 1.00 42.22 C ATOM 964 CG GLN A 61 -5.370 -3.456 -6.381 1.00 32.22 C ATOM 965 CD GLN A 61 -6.881 -3.321 -6.475 1.00 44.21 C ATOM 966 OE1 GLN A 61 -7.624 -3.945 -5.725 1.00 51.14 O ATOM 967 NE2 GLN A 61 -7.349 -2.514 -7.404 1.00 43.35 N ATOM 0 H GLN A 61 -3.556 -6.013 -5.602 1.00 61.52 H new ATOM 0 HA GLN A 61 -2.817 -3.166 -5.221 1.00 13.14 H new ATOM 0 HB2 GLN A 61 -5.422 -4.636 -4.591 1.00 42.22 H new ATOM 0 HB3 GLN A 61 -5.127 -2.931 -4.316 1.00 42.22 H new ATOM 0 HG2 GLN A 61 -4.907 -2.530 -6.722 1.00 32.22 H new ATOM 0 HG3 GLN A 61 -5.039 -4.246 -7.056 1.00 32.22 H new ATOM 0 HE21 GLN A 61 -6.705 -2.009 -8.012 1.00 43.35 H new ATOM 0 HE22 GLN A 61 -8.356 -2.394 -7.515 1.00 43.35 H new ATOM 976 N VAL A 62 -2.826 -3.236 -2.663 1.00 70.33 N ATOM 977 CA VAL A 62 -2.518 -3.303 -1.233 1.00 34.14 C ATOM 978 C VAL A 62 -3.452 -2.374 -0.439 1.00 73.12 C ATOM 979 O VAL A 62 -3.542 -1.180 -0.727 1.00 10.14 O ATOM 980 CB VAL A 62 -1.044 -2.903 -0.945 1.00 40.51 C ATOM 981 CG1 VAL A 62 -0.753 -2.948 0.554 1.00 4.31 C ATOM 982 CG2 VAL A 62 -0.071 -3.799 -1.712 1.00 64.31 C ATOM 0 H VAL A 62 -2.922 -2.284 -3.017 1.00 70.33 H new ATOM 0 HA VAL A 62 -2.667 -4.336 -0.920 1.00 34.14 H new ATOM 0 HB VAL A 62 -0.901 -1.879 -1.290 1.00 40.51 H new ATOM 0 HG11 VAL A 62 0.284 -2.664 0.732 1.00 4.31 H new ATOM 0 HG12 VAL A 62 -1.413 -2.254 1.074 1.00 4.31 H new ATOM 0 HG13 VAL A 62 -0.922 -3.958 0.927 1.00 4.31 H new ATOM 0 HG21 VAL A 62 0.953 -3.497 -1.492 1.00 64.31 H new ATOM 0 HG22 VAL A 62 -0.216 -4.836 -1.410 1.00 64.31 H new ATOM 0 HG23 VAL A 62 -0.255 -3.704 -2.782 1.00 64.31 H new ATOM 992 N PHE A 63 -4.149 -2.924 0.551 1.00 64.24 N ATOM 993 CA PHE A 63 -5.051 -2.131 1.392 1.00 34.12 C ATOM 994 C PHE A 63 -4.357 -1.690 2.689 1.00 65.32 C ATOM 995 O PHE A 63 -3.532 -2.412 3.244 1.00 5.01 O ATOM 996 CB PHE A 63 -6.322 -2.931 1.724 1.00 45.02 C ATOM 997 CG PHE A 63 -7.206 -3.193 0.527 1.00 30.32 C ATOM 998 CD1 PHE A 63 -6.939 -4.244 -0.340 1.00 72.42 C ATOM 999 CD2 PHE A 63 -8.305 -2.382 0.271 1.00 60.51 C ATOM 1000 CE1 PHE A 63 -7.750 -4.482 -1.433 1.00 5.24 C ATOM 1001 CE2 PHE A 63 -9.118 -2.616 -0.821 1.00 42.24 C ATOM 1002 CZ PHE A 63 -8.839 -3.665 -1.676 1.00 75.11 C ATOM 0 H PHE A 63 -4.109 -3.914 0.793 1.00 64.24 H new ATOM 0 HA PHE A 63 -5.329 -1.239 0.831 1.00 34.12 H new ATOM 0 HB2 PHE A 63 -6.035 -3.884 2.168 1.00 45.02 H new ATOM 0 HB3 PHE A 63 -6.895 -2.389 2.476 1.00 45.02 H new ATOM 0 HD1 PHE A 63 -6.088 -4.883 -0.158 1.00 72.42 H new ATOM 0 HD2 PHE A 63 -8.526 -1.559 0.934 1.00 60.51 H new ATOM 0 HE1 PHE A 63 -7.534 -5.306 -2.097 1.00 5.24 H new ATOM 0 HE2 PHE A 63 -9.971 -1.980 -1.006 1.00 42.24 H new ATOM 0 HZ PHE A 63 -9.471 -3.847 -2.533 1.00 75.11 H new ATOM 1012 N ARG A 64 -4.699 -0.501 3.172 1.00 53.01 N ATOM 1013 CA ARG A 64 -4.068 0.052 4.374 1.00 52.23 C ATOM 1014 C ARG A 64 -4.755 -0.442 5.659 1.00 35.53 C ATOM 1015 O ARG A 64 -5.977 -0.424 5.775 1.00 54.21 O ATOM 1016 CB ARG A 64 -4.095 1.590 4.336 1.00 14.24 C ATOM 1017 CG ARG A 64 -3.413 2.245 5.539 1.00 62.24 C ATOM 1018 CD ARG A 64 -3.587 3.761 5.547 1.00 31.43 C ATOM 1019 NE ARG A 64 -4.996 4.140 5.584 1.00 34.41 N ATOM 1020 CZ ARG A 64 -5.510 5.030 6.385 1.00 33.44 C ATOM 1021 NH1 ARG A 64 -4.771 5.664 7.240 1.00 75.10 N ATOM 1022 NH2 ARG A 64 -6.773 5.282 6.318 1.00 63.53 N ATOM 0 H ARG A 64 -5.408 0.101 2.754 1.00 53.01 H new ATOM 0 HA ARG A 64 -3.035 -0.296 4.385 1.00 52.23 H new ATOM 0 HB2 ARG A 64 -3.608 1.931 3.423 1.00 14.24 H new ATOM 0 HB3 ARG A 64 -5.131 1.926 4.289 1.00 14.24 H new ATOM 0 HG2 ARG A 64 -3.825 1.829 6.459 1.00 62.24 H new ATOM 0 HG3 ARG A 64 -2.350 2.003 5.528 1.00 62.24 H new ATOM 0 HD2 ARG A 64 -3.074 4.182 6.411 1.00 31.43 H new ATOM 0 HD3 ARG A 64 -3.118 4.186 4.659 1.00 31.43 H new ATOM 0 HE ARG A 64 -5.627 3.672 4.933 1.00 34.41 H new ATOM 0 HH11 ARG A 64 -3.771 5.469 7.293 1.00 75.10 H new ATOM 0 HH12 ARG A 64 -5.189 6.358 7.860 1.00 75.10 H new ATOM 0 HH21 ARG A 64 -7.357 4.787 5.644 1.00 63.53 H new ATOM 0 HH22 ARG A 64 -7.188 5.976 6.939 1.00 63.53 H new ATOM 1036 N ILE A 65 -3.952 -0.890 6.620 1.00 52.12 N ATOM 1037 CA ILE A 65 -4.449 -1.248 7.950 1.00 23.44 C ATOM 1038 C ILE A 65 -4.051 -0.178 8.972 1.00 42.31 C ATOM 1039 O ILE A 65 -2.925 0.320 8.946 1.00 14.14 O ATOM 1040 CB ILE A 65 -3.892 -2.620 8.417 1.00 73.34 C ATOM 1041 CG1 ILE A 65 -4.405 -3.749 7.513 1.00 4.52 C ATOM 1042 CG2 ILE A 65 -4.255 -2.891 9.877 1.00 15.45 C ATOM 1043 CD1 ILE A 65 -3.891 -5.121 7.901 1.00 12.12 C ATOM 0 H ILE A 65 -2.946 -1.015 6.503 1.00 52.12 H new ATOM 0 HA ILE A 65 -5.535 -1.315 7.883 1.00 23.44 H new ATOM 0 HB ILE A 65 -2.805 -2.586 8.341 1.00 73.34 H new ATOM 0 HG12 ILE A 65 -5.495 -3.758 7.540 1.00 4.52 H new ATOM 0 HG13 ILE A 65 -4.114 -3.539 6.484 1.00 4.52 H new ATOM 0 HG21 ILE A 65 -3.853 -3.858 10.178 1.00 15.45 H new ATOM 0 HG22 ILE A 65 -3.832 -2.109 10.508 1.00 15.45 H new ATOM 0 HG23 ILE A 65 -5.339 -2.899 9.987 1.00 15.45 H new ATOM 0 HD11 ILE A 65 -4.296 -5.868 7.218 1.00 12.12 H new ATOM 0 HD12 ILE A 65 -2.802 -5.131 7.846 1.00 12.12 H new ATOM 0 HD13 ILE A 65 -4.205 -5.353 8.919 1.00 12.12 H new ATOM 1055 N GLU A 66 -4.971 0.185 9.859 1.00 34.33 N ATOM 1056 CA GLU A 66 -4.657 1.112 10.953 1.00 24.35 C ATOM 1057 C GLU A 66 -5.241 0.602 12.276 1.00 73.34 C ATOM 1058 O GLU A 66 -6.307 -0.020 12.295 1.00 73.12 O ATOM 1059 CB GLU A 66 -5.171 2.527 10.638 1.00 74.23 C ATOM 1060 CG GLU A 66 -6.689 2.692 10.683 1.00 60.41 C ATOM 1061 CD GLU A 66 -7.118 4.134 10.451 1.00 62.01 C ATOM 1062 OE1 GLU A 66 -6.833 4.991 11.319 1.00 24.03 O ATOM 1063 OE2 GLU A 66 -7.730 4.423 9.404 1.00 62.25 O ATOM 0 H GLU A 66 -5.937 -0.143 9.847 1.00 34.33 H new ATOM 0 HA GLU A 66 -3.573 1.163 11.055 1.00 24.35 H new ATOM 0 HB2 GLU A 66 -4.724 3.225 11.347 1.00 74.23 H new ATOM 0 HB3 GLU A 66 -4.820 2.812 9.646 1.00 74.23 H new ATOM 0 HG2 GLU A 66 -7.145 2.053 9.927 1.00 60.41 H new ATOM 0 HG3 GLU A 66 -7.061 2.355 11.651 1.00 60.41 H new ATOM 1070 N ASP A 67 -4.520 0.838 13.374 1.00 21.44 N ATOM 1071 CA ASP A 67 -4.948 0.383 14.707 1.00 70.51 C ATOM 1072 C ASP A 67 -5.073 -1.161 14.751 1.00 42.44 C ATOM 1073 O ASP A 67 -5.807 -1.719 15.566 1.00 51.24 O ATOM 1074 CB ASP A 67 -6.283 1.056 15.077 1.00 20.43 C ATOM 1075 CG ASP A 67 -6.558 1.054 16.572 1.00 21.32 C ATOM 1076 OD1 ASP A 67 -6.127 2.003 17.257 1.00 22.30 O ATOM 1077 OD2 ASP A 67 -7.212 0.116 17.068 1.00 41.05 O ATOM 0 H ASP A 67 -3.634 1.343 13.370 1.00 21.44 H new ATOM 0 HA ASP A 67 -4.193 0.671 15.439 1.00 70.51 H new ATOM 0 HB2 ASP A 67 -6.277 2.085 14.716 1.00 20.43 H new ATOM 0 HB3 ASP A 67 -7.096 0.543 14.563 1.00 20.43 H new ATOM 1082 N SER A 68 -4.321 -1.838 13.874 1.00 33.21 N ATOM 1083 CA SER A 68 -4.370 -3.311 13.744 1.00 62.43 C ATOM 1084 C SER A 68 -5.740 -3.804 13.230 1.00 43.54 C ATOM 1085 O SER A 68 -6.053 -4.996 13.301 1.00 43.53 O ATOM 1086 CB SER A 68 -4.029 -3.994 15.081 1.00 2.43 C ATOM 1087 OG SER A 68 -4.086 -5.411 14.972 1.00 64.03 O ATOM 0 H SER A 68 -3.664 -1.390 13.236 1.00 33.21 H new ATOM 0 HA SER A 68 -3.619 -3.587 13.004 1.00 62.43 H new ATOM 0 HB2 SER A 68 -3.032 -3.692 15.401 1.00 2.43 H new ATOM 0 HB3 SER A 68 -4.725 -3.659 15.850 1.00 2.43 H new ATOM 0 HG SER A 68 -4.868 -5.667 14.440 1.00 64.03 H new ATOM 1093 N ILE A 69 -6.544 -2.884 12.701 1.00 0.11 N ATOM 1094 CA ILE A 69 -7.855 -3.220 12.128 1.00 1.54 C ATOM 1095 C ILE A 69 -7.761 -3.350 10.596 1.00 33.21 C ATOM 1096 O ILE A 69 -7.405 -2.391 9.907 1.00 72.34 O ATOM 1097 CB ILE A 69 -8.915 -2.143 12.489 1.00 52.13 C ATOM 1098 CG1 ILE A 69 -9.034 -1.987 14.016 1.00 4.14 C ATOM 1099 CG2 ILE A 69 -10.273 -2.486 11.875 1.00 64.23 C ATOM 1100 CD1 ILE A 69 -9.477 -3.245 14.737 1.00 72.51 C ATOM 0 H ILE A 69 -6.312 -1.892 12.655 1.00 0.11 H new ATOM 0 HA ILE A 69 -8.164 -4.175 12.553 1.00 1.54 H new ATOM 0 HB ILE A 69 -8.585 -1.192 12.072 1.00 52.13 H new ATOM 0 HG12 ILE A 69 -8.069 -1.674 14.414 1.00 4.14 H new ATOM 0 HG13 ILE A 69 -9.743 -1.188 14.234 1.00 4.14 H new ATOM 0 HG21 ILE A 69 -10.998 -1.717 12.142 1.00 64.23 H new ATOM 0 HG22 ILE A 69 -10.180 -2.535 10.790 1.00 64.23 H new ATOM 0 HG23 ILE A 69 -10.611 -3.450 12.254 1.00 64.23 H new ATOM 0 HD11 ILE A 69 -9.535 -3.049 15.808 1.00 72.51 H new ATOM 0 HD12 ILE A 69 -10.457 -3.549 14.370 1.00 72.51 H new ATOM 0 HD13 ILE A 69 -8.757 -4.043 14.553 1.00 72.51 H new ATOM 1112 N PRO A 70 -8.060 -4.541 10.035 1.00 2.02 N ATOM 1113 CA PRO A 70 -7.994 -4.760 8.580 1.00 50.42 C ATOM 1114 C PRO A 70 -9.076 -3.980 7.814 1.00 2.42 C ATOM 1115 O PRO A 70 -10.240 -4.388 7.764 1.00 60.35 O ATOM 1116 CB PRO A 70 -8.196 -6.278 8.438 1.00 15.33 C ATOM 1117 CG PRO A 70 -8.956 -6.675 9.659 1.00 31.54 C ATOM 1118 CD PRO A 70 -8.482 -5.757 10.760 1.00 4.10 C ATOM 0 HA PRO A 70 -7.055 -4.406 8.155 1.00 50.42 H new ATOM 0 HB2 PRO A 70 -8.749 -6.521 7.531 1.00 15.33 H new ATOM 0 HB3 PRO A 70 -7.241 -6.801 8.378 1.00 15.33 H new ATOM 0 HG2 PRO A 70 -10.030 -6.573 9.501 1.00 31.54 H new ATOM 0 HG3 PRO A 70 -8.769 -7.718 9.913 1.00 31.54 H new ATOM 0 HD2 PRO A 70 -9.277 -5.543 11.475 1.00 4.10 H new ATOM 0 HD3 PRO A 70 -7.658 -6.196 11.322 1.00 4.10 H new ATOM 1126 N VAL A 71 -8.691 -2.846 7.234 1.00 4.11 N ATOM 1127 CA VAL A 71 -9.630 -1.987 6.514 1.00 70.24 C ATOM 1128 C VAL A 71 -9.823 -2.468 5.063 1.00 44.45 C ATOM 1129 O VAL A 71 -8.917 -2.365 4.235 1.00 32.03 O ATOM 1130 CB VAL A 71 -9.157 -0.507 6.514 1.00 12.40 C ATOM 1131 CG1 VAL A 71 -10.261 0.415 5.999 1.00 74.11 C ATOM 1132 CG2 VAL A 71 -8.689 -0.079 7.911 1.00 40.50 C ATOM 0 H VAL A 71 -7.732 -2.499 7.248 1.00 4.11 H new ATOM 0 HA VAL A 71 -10.585 -2.048 7.036 1.00 70.24 H new ATOM 0 HB VAL A 71 -8.306 -0.424 5.838 1.00 12.40 H new ATOM 0 HG11 VAL A 71 -9.908 1.446 6.008 1.00 74.11 H new ATOM 0 HG12 VAL A 71 -10.527 0.131 4.981 1.00 74.11 H new ATOM 0 HG13 VAL A 71 -11.138 0.327 6.641 1.00 74.11 H new ATOM 0 HG21 VAL A 71 -8.363 0.961 7.883 1.00 40.50 H new ATOM 0 HG22 VAL A 71 -9.512 -0.182 8.618 1.00 40.50 H new ATOM 0 HG23 VAL A 71 -7.859 -0.711 8.226 1.00 40.50 H new ATOM 1142 N LEU A 72 -11.005 -3.006 4.765 1.00 44.15 N ATOM 1143 CA LEU A 72 -11.316 -3.523 3.425 1.00 52.14 C ATOM 1144 C LEU A 72 -12.040 -2.474 2.562 1.00 50.11 C ATOM 1145 O LEU A 72 -12.675 -2.809 1.561 1.00 62.13 O ATOM 1146 CB LEU A 72 -12.187 -4.783 3.549 1.00 20.11 C ATOM 1147 CG LEU A 72 -11.570 -5.942 4.352 1.00 35.22 C ATOM 1148 CD1 LEU A 72 -12.554 -7.106 4.467 1.00 4.30 C ATOM 1149 CD2 LEU A 72 -10.258 -6.403 3.718 1.00 21.52 C ATOM 0 H LEU A 72 -11.769 -3.097 5.435 1.00 44.15 H new ATOM 0 HA LEU A 72 -10.375 -3.766 2.932 1.00 52.14 H new ATOM 0 HB2 LEU A 72 -13.132 -4.505 4.015 1.00 20.11 H new ATOM 0 HB3 LEU A 72 -12.419 -5.142 2.547 1.00 20.11 H new ATOM 0 HG LEU A 72 -11.353 -5.580 5.357 1.00 35.22 H new ATOM 0 HD11 LEU A 72 -12.097 -7.914 5.038 1.00 4.30 H new ATOM 0 HD12 LEU A 72 -13.458 -6.769 4.974 1.00 4.30 H new ATOM 0 HD13 LEU A 72 -12.810 -7.466 3.470 1.00 4.30 H new ATOM 0 HD21 LEU A 72 -9.840 -7.223 4.302 1.00 21.52 H new ATOM 0 HD22 LEU A 72 -10.446 -6.742 2.699 1.00 21.52 H new ATOM 0 HD23 LEU A 72 -9.551 -5.573 3.700 1.00 21.52 H new ATOM 1161 N LEU A 73 -11.928 -1.202 2.940 1.00 73.10 N ATOM 1162 CA LEU A 73 -12.645 -0.119 2.249 1.00 14.33 C ATOM 1163 C LEU A 73 -11.946 0.279 0.935 1.00 34.34 C ATOM 1164 O LEU A 73 -10.718 0.292 0.853 1.00 3.42 O ATOM 1165 CB LEU A 73 -12.778 1.101 3.173 1.00 13.41 C ATOM 1166 CG LEU A 73 -13.554 0.853 4.480 1.00 42.33 C ATOM 1167 CD1 LEU A 73 -13.697 2.144 5.280 1.00 61.51 C ATOM 1168 CD2 LEU A 73 -14.925 0.242 4.191 1.00 74.02 C ATOM 0 H LEU A 73 -11.349 -0.891 3.720 1.00 73.10 H new ATOM 0 HA LEU A 73 -13.639 -0.487 1.995 1.00 14.33 H new ATOM 0 HB2 LEU A 73 -11.779 1.457 3.425 1.00 13.41 H new ATOM 0 HB3 LEU A 73 -13.272 1.901 2.622 1.00 13.41 H new ATOM 0 HG LEU A 73 -12.985 0.143 5.080 1.00 42.33 H new ATOM 0 HD11 LEU A 73 -14.248 1.944 6.199 1.00 61.51 H new ATOM 0 HD12 LEU A 73 -12.708 2.530 5.527 1.00 61.51 H new ATOM 0 HD13 LEU A 73 -14.237 2.882 4.686 1.00 61.51 H new ATOM 0 HD21 LEU A 73 -15.454 0.076 5.129 1.00 74.02 H new ATOM 0 HD22 LEU A 73 -15.502 0.922 3.564 1.00 74.02 H new ATOM 0 HD23 LEU A 73 -14.798 -0.709 3.673 1.00 74.02 H new ATOM 1180 N PRO A 74 -12.731 0.615 -0.113 1.00 30.24 N ATOM 1181 CA PRO A 74 -12.198 0.929 -1.456 1.00 64.52 C ATOM 1182 C PRO A 74 -11.134 2.046 -1.468 1.00 11.14 C ATOM 1183 O PRO A 74 -10.146 1.955 -2.199 1.00 3.22 O ATOM 1184 CB PRO A 74 -13.447 1.356 -2.257 1.00 54.12 C ATOM 1185 CG PRO A 74 -14.499 1.631 -1.232 1.00 43.42 C ATOM 1186 CD PRO A 74 -14.199 0.713 -0.080 1.00 64.14 C ATOM 0 HA PRO A 74 -11.674 0.069 -1.873 1.00 64.52 H new ATOM 0 HB2 PRO A 74 -13.244 2.241 -2.859 1.00 54.12 H new ATOM 0 HB3 PRO A 74 -13.762 0.569 -2.943 1.00 54.12 H new ATOM 0 HG2 PRO A 74 -14.475 2.674 -0.917 1.00 43.42 H new ATOM 0 HG3 PRO A 74 -15.495 1.442 -1.633 1.00 43.42 H new ATOM 0 HD2 PRO A 74 -14.556 1.121 0.866 1.00 64.14 H new ATOM 0 HD3 PRO A 74 -14.672 -0.261 -0.205 1.00 64.14 H new ATOM 1194 N GLU A 75 -11.328 3.093 -0.660 1.00 32.44 N ATOM 1195 CA GLU A 75 -10.384 4.224 -0.619 1.00 12.31 C ATOM 1196 C GLU A 75 -8.956 3.779 -0.252 1.00 55.23 C ATOM 1197 O GLU A 75 -7.970 4.379 -0.692 1.00 10.13 O ATOM 1198 CB GLU A 75 -10.863 5.306 0.367 1.00 1.11 C ATOM 1199 CG GLU A 75 -11.237 4.785 1.755 1.00 33.11 C ATOM 1200 CD GLU A 75 -12.741 4.662 1.951 1.00 64.42 C ATOM 1201 OE1 GLU A 75 -13.362 3.780 1.321 1.00 1.34 O ATOM 1202 OE2 GLU A 75 -13.313 5.463 2.720 1.00 41.44 O ATOM 0 H GLU A 75 -12.123 3.185 -0.028 1.00 32.44 H new ATOM 0 HA GLU A 75 -10.355 4.643 -1.625 1.00 12.31 H new ATOM 0 HB2 GLU A 75 -10.077 6.054 0.474 1.00 1.11 H new ATOM 0 HB3 GLU A 75 -11.728 5.812 -0.062 1.00 1.11 H new ATOM 0 HG2 GLU A 75 -10.774 3.811 1.910 1.00 33.11 H new ATOM 0 HG3 GLU A 75 -10.830 5.455 2.512 1.00 33.11 H new ATOM 1209 N GLU A 76 -8.853 2.699 0.514 1.00 15.10 N ATOM 1210 CA GLU A 76 -7.568 2.227 1.047 1.00 20.33 C ATOM 1211 C GLU A 76 -6.767 1.401 0.021 1.00 21.10 C ATOM 1212 O GLU A 76 -5.764 0.779 0.371 1.00 40.53 O ATOM 1213 CB GLU A 76 -7.831 1.377 2.296 1.00 42.30 C ATOM 1214 CG GLU A 76 -8.673 2.082 3.357 1.00 4.25 C ATOM 1215 CD GLU A 76 -7.912 3.159 4.111 1.00 51.23 C ATOM 1216 OE1 GLU A 76 -7.812 4.301 3.617 1.00 72.21 O ATOM 1217 OE2 GLU A 76 -7.419 2.873 5.219 1.00 33.11 O ATOM 0 H GLU A 76 -9.650 2.124 0.786 1.00 15.10 H new ATOM 0 HA GLU A 76 -6.968 3.103 1.291 1.00 20.33 H new ATOM 0 HB2 GLU A 76 -8.335 0.457 1.998 1.00 42.30 H new ATOM 0 HB3 GLU A 76 -6.876 1.090 2.736 1.00 42.30 H new ATOM 0 HG2 GLU A 76 -9.545 2.529 2.880 1.00 4.25 H new ATOM 0 HG3 GLU A 76 -9.042 1.343 4.068 1.00 4.25 H new ATOM 1224 N ALA A 77 -7.195 1.405 -1.241 1.00 42.03 N ATOM 1225 CA ALA A 77 -6.554 0.590 -2.282 1.00 12.43 C ATOM 1226 C ALA A 77 -5.358 1.303 -2.952 1.00 3.41 C ATOM 1227 O ALA A 77 -5.531 2.254 -3.720 1.00 44.14 O ATOM 1228 CB ALA A 77 -7.585 0.188 -3.331 1.00 1.12 C ATOM 0 H ALA A 77 -7.983 1.962 -1.571 1.00 42.03 H new ATOM 0 HA ALA A 77 -6.154 -0.299 -1.794 1.00 12.43 H new ATOM 0 HB1 ALA A 77 -7.105 -0.416 -4.101 1.00 1.12 H new ATOM 0 HB2 ALA A 77 -8.379 -0.391 -2.858 1.00 1.12 H new ATOM 0 HB3 ALA A 77 -8.010 1.083 -3.785 1.00 1.12 H new ATOM 1234 N ILE A 78 -4.141 0.845 -2.641 1.00 0.54 N ATOM 1235 CA ILE A 78 -2.922 1.315 -3.320 1.00 23.14 C ATOM 1236 C ILE A 78 -2.407 0.246 -4.306 1.00 14.24 C ATOM 1237 O ILE A 78 -2.191 -0.904 -3.926 1.00 10.01 O ATOM 1238 CB ILE A 78 -1.781 1.659 -2.312 1.00 54.24 C ATOM 1239 CG1 ILE A 78 -2.174 2.830 -1.383 1.00 22.12 C ATOM 1240 CG2 ILE A 78 -0.485 1.988 -3.056 1.00 25.22 C ATOM 1241 CD1 ILE A 78 -3.189 2.479 -0.315 1.00 43.31 C ATOM 0 H ILE A 78 -3.970 0.145 -1.919 1.00 0.54 H new ATOM 0 HA ILE A 78 -3.194 2.224 -3.857 1.00 23.14 H new ATOM 0 HB ILE A 78 -1.619 0.778 -1.690 1.00 54.24 H new ATOM 0 HG12 ILE A 78 -1.274 3.209 -0.899 1.00 22.12 H new ATOM 0 HG13 ILE A 78 -2.574 3.641 -1.992 1.00 22.12 H new ATOM 0 HG21 ILE A 78 0.298 2.225 -2.336 1.00 25.22 H new ATOM 0 HG22 ILE A 78 -0.180 1.129 -3.654 1.00 25.22 H new ATOM 0 HG23 ILE A 78 -0.648 2.845 -3.710 1.00 25.22 H new ATOM 0 HD11 ILE A 78 -3.403 3.362 0.288 1.00 43.31 H new ATOM 0 HD12 ILE A 78 -4.108 2.130 -0.787 1.00 43.31 H new ATOM 0 HD13 ILE A 78 -2.788 1.692 0.324 1.00 43.31 H new ATOM 1253 N ALA A 79 -2.217 0.626 -5.566 1.00 1.41 N ATOM 1254 CA ALA A 79 -1.745 -0.311 -6.596 1.00 74.41 C ATOM 1255 C ALA A 79 -0.215 -0.493 -6.560 1.00 20.40 C ATOM 1256 O ALA A 79 0.538 0.479 -6.574 1.00 14.52 O ATOM 1257 CB ALA A 79 -2.186 0.167 -7.975 1.00 61.40 C ATOM 0 H ALA A 79 -2.381 1.574 -5.904 1.00 1.41 H new ATOM 0 HA ALA A 79 -2.191 -1.283 -6.385 1.00 74.41 H new ATOM 0 HB1 ALA A 79 -1.833 -0.532 -8.733 1.00 61.40 H new ATOM 0 HB2 ALA A 79 -3.274 0.221 -8.011 1.00 61.40 H new ATOM 0 HB3 ALA A 79 -1.767 1.154 -8.169 1.00 61.40 H new ATOM 1263 N THR A 80 0.238 -1.750 -6.532 1.00 21.12 N ATOM 1264 CA THR A 80 1.679 -2.069 -6.512 1.00 10.12 C ATOM 1265 C THR A 80 2.396 -1.580 -7.773 1.00 44.33 C ATOM 1266 O THR A 80 3.564 -1.200 -7.724 1.00 25.12 O ATOM 1267 CB THR A 80 1.930 -3.589 -6.390 1.00 63.23 C ATOM 1268 OG1 THR A 80 1.311 -4.276 -7.490 1.00 13.53 O ATOM 1269 CG2 THR A 80 1.395 -4.137 -5.070 1.00 32.32 C ATOM 0 H THR A 80 -0.370 -2.569 -6.523 1.00 21.12 H new ATOM 0 HA THR A 80 2.077 -1.553 -5.638 1.00 10.12 H new ATOM 0 HB THR A 80 3.007 -3.756 -6.413 1.00 63.23 H new ATOM 0 HG1 THR A 80 1.063 -5.182 -7.212 1.00 13.53 H new ATOM 0 HG21 THR A 80 1.588 -5.208 -5.016 1.00 32.32 H new ATOM 0 HG22 THR A 80 1.893 -3.637 -4.240 1.00 32.32 H new ATOM 0 HG23 THR A 80 0.321 -3.958 -5.010 1.00 32.32 H new ATOM 1277 N ILE A 81 1.689 -1.591 -8.903 1.00 33.10 N ATOM 1278 CA ILE A 81 2.247 -1.124 -10.183 1.00 51.51 C ATOM 1279 C ILE A 81 2.655 0.364 -10.106 1.00 24.34 C ATOM 1280 O ILE A 81 3.425 0.863 -10.927 1.00 72.14 O ATOM 1281 CB ILE A 81 1.220 -1.336 -11.333 1.00 63.44 C ATOM 1282 CG1 ILE A 81 1.830 -0.985 -12.703 1.00 41.04 C ATOM 1283 CG2 ILE A 81 -0.047 -0.520 -11.082 1.00 35.11 C ATOM 1284 CD1 ILE A 81 3.014 -1.852 -13.086 1.00 50.25 C ATOM 0 H ILE A 81 0.725 -1.918 -8.963 1.00 33.10 H new ATOM 0 HA ILE A 81 3.141 -1.712 -10.391 1.00 51.51 H new ATOM 0 HB ILE A 81 0.953 -2.393 -11.349 1.00 63.44 H new ATOM 0 HG12 ILE A 81 1.060 -1.080 -13.468 1.00 41.04 H new ATOM 0 HG13 ILE A 81 2.144 0.059 -12.694 1.00 41.04 H new ATOM 0 HG21 ILE A 81 -0.752 -0.682 -11.897 1.00 35.11 H new ATOM 0 HG22 ILE A 81 -0.501 -0.833 -10.142 1.00 35.11 H new ATOM 0 HG23 ILE A 81 0.207 0.539 -11.027 1.00 35.11 H new ATOM 0 HD11 ILE A 81 3.389 -1.545 -14.062 1.00 50.25 H new ATOM 0 HD12 ILE A 81 3.803 -1.739 -12.342 1.00 50.25 H new ATOM 0 HD13 ILE A 81 2.702 -2.896 -13.129 1.00 50.25 H new ATOM 1296 N GLN A 82 2.133 1.057 -9.098 1.00 20.40 N ATOM 1297 CA GLN A 82 2.451 2.468 -8.854 1.00 24.22 C ATOM 1298 C GLN A 82 3.775 2.629 -8.083 1.00 2.30 C ATOM 1299 O GLN A 82 4.434 3.665 -8.163 1.00 44.24 O ATOM 1300 CB GLN A 82 1.298 3.097 -8.059 1.00 64.01 C ATOM 1301 CG GLN A 82 1.488 4.566 -7.704 1.00 34.12 C ATOM 1302 CD GLN A 82 0.400 5.059 -6.773 1.00 64.32 C ATOM 1303 OE1 GLN A 82 0.527 4.985 -5.558 1.00 71.45 O ATOM 1304 NE2 GLN A 82 -0.690 5.544 -7.333 1.00 34.24 N ATOM 0 H GLN A 82 1.477 0.660 -8.425 1.00 20.40 H new ATOM 0 HA GLN A 82 2.573 2.972 -9.813 1.00 24.22 H new ATOM 0 HB2 GLN A 82 0.379 2.994 -8.637 1.00 64.01 H new ATOM 0 HB3 GLN A 82 1.160 2.531 -7.138 1.00 64.01 H new ATOM 0 HG2 GLN A 82 2.461 4.704 -7.233 1.00 34.12 H new ATOM 0 HG3 GLN A 82 1.487 5.164 -8.615 1.00 34.12 H new ATOM 0 HE21 GLN A 82 -0.763 5.592 -8.349 1.00 34.24 H new ATOM 0 HE22 GLN A 82 -1.460 5.872 -6.750 1.00 34.24 H new ATOM 1313 N ILE A 83 4.162 1.594 -7.335 1.00 11.12 N ATOM 1314 CA ILE A 83 5.361 1.646 -6.490 1.00 40.31 C ATOM 1315 C ILE A 83 6.650 1.554 -7.328 1.00 64.32 C ATOM 1316 O ILE A 83 7.009 0.489 -7.831 1.00 21.31 O ATOM 1317 CB ILE A 83 5.345 0.513 -5.430 1.00 54.11 C ATOM 1318 CG1 ILE A 83 4.030 0.544 -4.624 1.00 51.54 C ATOM 1319 CG2 ILE A 83 6.549 0.626 -4.495 1.00 1.43 C ATOM 1320 CD1 ILE A 83 3.770 1.859 -3.911 1.00 52.42 C ATOM 0 H ILE A 83 3.662 0.706 -7.296 1.00 11.12 H new ATOM 0 HA ILE A 83 5.350 2.609 -5.980 1.00 40.31 H new ATOM 0 HB ILE A 83 5.408 -0.442 -5.952 1.00 54.11 H new ATOM 0 HG12 ILE A 83 3.198 0.338 -5.298 1.00 51.54 H new ATOM 0 HG13 ILE A 83 4.049 -0.259 -3.887 1.00 51.54 H new ATOM 0 HG21 ILE A 83 6.516 -0.179 -3.761 1.00 1.43 H new ATOM 0 HG22 ILE A 83 7.469 0.550 -5.075 1.00 1.43 H new ATOM 0 HG23 ILE A 83 6.522 1.587 -3.981 1.00 1.43 H new ATOM 0 HD11 ILE A 83 2.827 1.798 -3.368 1.00 52.42 H new ATOM 0 HD12 ILE A 83 4.580 2.059 -3.210 1.00 52.42 H new ATOM 0 HD13 ILE A 83 3.716 2.665 -4.643 1.00 52.42 H new ATOM 1332 N ALA A 84 7.342 2.687 -7.462 1.00 31.32 N ATOM 1333 CA ALA A 84 8.546 2.789 -8.302 1.00 40.12 C ATOM 1334 C ALA A 84 9.636 1.769 -7.934 1.00 70.13 C ATOM 1335 O ALA A 84 10.246 1.157 -8.807 1.00 3.24 O ATOM 1336 CB ALA A 84 9.113 4.203 -8.217 1.00 21.35 C ATOM 0 H ALA A 84 7.089 3.558 -6.996 1.00 31.32 H new ATOM 0 HA ALA A 84 8.237 2.560 -9.322 1.00 40.12 H new ATOM 0 HB1 ALA A 84 10.004 4.276 -8.840 1.00 21.35 H new ATOM 0 HB2 ALA A 84 8.367 4.916 -8.567 1.00 21.35 H new ATOM 0 HB3 ALA A 84 9.374 4.429 -7.183 1.00 21.35 H new ATOM 1342 N ASN A 85 9.867 1.584 -6.643 1.00 22.14 N ATOM 1343 CA ASN A 85 10.979 0.749 -6.161 1.00 4.04 C ATOM 1344 C ASN A 85 10.567 -0.720 -5.931 1.00 23.44 C ATOM 1345 O ASN A 85 11.293 -1.477 -5.279 1.00 34.13 O ATOM 1346 CB ASN A 85 11.563 1.351 -4.872 1.00 21.14 C ATOM 1347 CG ASN A 85 10.510 1.600 -3.806 1.00 5.40 C ATOM 1348 OD1 ASN A 85 9.511 0.901 -3.726 1.00 11.44 O ATOM 1349 ND2 ASN A 85 10.724 2.604 -2.982 1.00 24.22 N ATOM 0 H ASN A 85 9.303 1.998 -5.901 1.00 22.14 H new ATOM 0 HA ASN A 85 11.740 0.741 -6.942 1.00 4.04 H new ATOM 0 HB2 ASN A 85 12.323 0.678 -4.475 1.00 21.14 H new ATOM 0 HB3 ASN A 85 12.062 2.291 -5.109 1.00 21.14 H new ATOM 0 HD21 ASN A 85 10.046 2.817 -2.251 1.00 24.22 H new ATOM 0 HD22 ASN A 85 11.568 3.169 -3.075 1.00 24.22 H new ATOM 1356 N PHE A 86 9.423 -1.126 -6.484 1.00 22.53 N ATOM 1357 CA PHE A 86 8.926 -2.499 -6.314 1.00 32.53 C ATOM 1358 C PHE A 86 9.809 -3.513 -7.080 1.00 14.13 C ATOM 1359 O PHE A 86 10.040 -3.364 -8.282 1.00 42.53 O ATOM 1360 CB PHE A 86 7.466 -2.594 -6.787 1.00 74.01 C ATOM 1361 CG PHE A 86 6.647 -3.611 -6.028 1.00 24.44 C ATOM 1362 CD1 PHE A 86 6.146 -3.299 -4.772 1.00 71.22 C ATOM 1363 CD2 PHE A 86 6.384 -4.868 -6.554 1.00 30.43 C ATOM 1364 CE1 PHE A 86 5.396 -4.216 -4.060 1.00 72.01 C ATOM 1365 CE2 PHE A 86 5.633 -5.790 -5.848 1.00 12.31 C ATOM 1366 CZ PHE A 86 5.142 -5.464 -4.598 1.00 21.02 C ATOM 0 H PHE A 86 8.822 -0.529 -7.052 1.00 22.53 H new ATOM 0 HA PHE A 86 8.973 -2.749 -5.254 1.00 32.53 H new ATOM 0 HB2 PHE A 86 6.997 -1.615 -6.687 1.00 74.01 H new ATOM 0 HB3 PHE A 86 7.453 -2.848 -7.847 1.00 74.01 H new ATOM 0 HD1 PHE A 86 6.345 -2.327 -4.345 1.00 71.22 H new ATOM 0 HD2 PHE A 86 6.771 -5.130 -7.528 1.00 30.43 H new ATOM 0 HE1 PHE A 86 5.009 -3.958 -3.085 1.00 72.01 H new ATOM 0 HE2 PHE A 86 5.431 -6.762 -6.272 1.00 12.31 H new ATOM 0 HZ PHE A 86 4.560 -6.184 -4.042 1.00 21.02 H new