USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 555 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 GLN : amide:sc= 0.0524 X(o=-0.33,f=-0.43) USER MOD Set 1.2: A 82 GLN : amide:sc= -0.379 K(o=-0.33,f=-4.9!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -54:sc= 0.582 USER MOD Single : A 24 LYS NZ :NH3+ 168:sc= 1.28 (180deg=1.16) USER MOD Single : A 30 ASN : amide:sc= -0.101 K(o=-0.1,f=-4.8!) USER MOD Single : A 31 LYS NZ :NH3+ -164:sc= 0.337 (180deg=-0.138) USER MOD Single : A 35 SER OG : rot -18:sc= 0.0887 USER MOD Single : A 37 THR OG1 : rot -37:sc= 1.04 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.22) USER MOD Single : A 47 ASN : amide:sc= -0.0185 X(o=-0.019,f=0) USER MOD Single : A 48 GLN : amide:sc= 0.872 K(o=0.87,f=-6.3!) USER MOD Single : A 49 SER OG : rot 43:sc= 0.38 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.178 USER MOD Single : A 60 LYS NZ :NH3+ 170:sc=-0.00457 (180deg=-0.133) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 68 SER OG : rot -39:sc= 0.699 USER MOD Single : A 80 THR OG1 : rot -87:sc= 0.891 USER MOD Single : A 85 ASN : amide:sc= -2.06 K(o=-2.1,f=-0.00037) USER MOD ----------------------------------------------------------------- ATOM 289 N LEU A 18 -7.114 -11.288 0.726 1.00 3.42 N ATOM 290 CA LEU A 18 -6.223 -10.279 1.303 1.00 11.23 C ATOM 291 C LEU A 18 -5.481 -10.838 2.523 1.00 22.51 C ATOM 292 O LEU A 18 -6.097 -11.304 3.482 1.00 50.50 O ATOM 293 CB LEU A 18 -7.018 -9.023 1.692 1.00 62.45 C ATOM 294 CG LEU A 18 -7.505 -8.170 0.509 1.00 14.32 C ATOM 295 CD1 LEU A 18 -8.389 -7.022 0.987 1.00 61.13 C ATOM 296 CD2 LEU A 18 -6.308 -7.638 -0.276 1.00 32.02 C ATOM 0 HA LEU A 18 -5.484 -10.007 0.549 1.00 11.23 H new ATOM 0 HB2 LEU A 18 -7.883 -9.327 2.282 1.00 62.45 H new ATOM 0 HB3 LEU A 18 -6.395 -8.402 2.336 1.00 62.45 H new ATOM 0 HG LEU A 18 -8.106 -8.800 -0.147 1.00 14.32 H new ATOM 0 HD11 LEU A 18 -8.719 -6.435 0.130 1.00 61.13 H new ATOM 0 HD12 LEU A 18 -9.258 -7.424 1.507 1.00 61.13 H new ATOM 0 HD13 LEU A 18 -7.822 -6.385 1.666 1.00 61.13 H new ATOM 0 HD21 LEU A 18 -6.661 -7.035 -1.113 1.00 32.02 H new ATOM 0 HD22 LEU A 18 -5.688 -7.025 0.378 1.00 32.02 H new ATOM 0 HD23 LEU A 18 -5.720 -8.474 -0.654 1.00 32.02 H new ATOM 308 N SER A 19 -4.153 -10.800 2.473 1.00 24.50 N ATOM 309 CA SER A 19 -3.315 -11.317 3.565 1.00 44.32 C ATOM 310 C SER A 19 -2.286 -10.276 4.023 1.00 43.50 C ATOM 311 O SER A 19 -2.188 -9.193 3.448 1.00 53.11 O ATOM 312 CB SER A 19 -2.588 -12.594 3.115 1.00 3.22 C ATOM 313 OG SER A 19 -3.508 -13.622 2.777 1.00 32.21 O ATOM 0 H SER A 19 -3.627 -10.416 1.688 1.00 24.50 H new ATOM 0 HA SER A 19 -3.970 -11.545 4.406 1.00 44.32 H new ATOM 0 HB2 SER A 19 -1.957 -12.371 2.255 1.00 3.22 H new ATOM 0 HB3 SER A 19 -1.930 -12.940 3.912 1.00 3.22 H new ATOM 0 HG SER A 19 -3.016 -14.421 2.493 1.00 32.21 H new ATOM 319 N LEU A 20 -1.527 -10.612 5.063 1.00 35.42 N ATOM 320 CA LEU A 20 -0.476 -9.726 5.577 1.00 42.23 C ATOM 321 C LEU A 20 0.569 -9.427 4.480 1.00 70.10 C ATOM 322 O LEU A 20 1.119 -10.342 3.865 1.00 62.41 O ATOM 323 CB LEU A 20 0.190 -10.376 6.811 1.00 25.11 C ATOM 324 CG LEU A 20 0.896 -9.422 7.800 1.00 71.04 C ATOM 325 CD1 LEU A 20 2.142 -8.792 7.188 1.00 34.01 C ATOM 326 CD2 LEU A 20 -0.068 -8.346 8.292 1.00 3.21 C ATOM 0 H LEU A 20 -1.617 -11.492 5.570 1.00 35.42 H new ATOM 0 HA LEU A 20 -0.923 -8.778 5.876 1.00 42.23 H new ATOM 0 HB2 LEU A 20 -0.573 -10.929 7.358 1.00 25.11 H new ATOM 0 HB3 LEU A 20 0.921 -11.104 6.459 1.00 25.11 H new ATOM 0 HG LEU A 20 1.218 -10.017 8.655 1.00 71.04 H new ATOM 0 HD11 LEU A 20 2.609 -8.128 7.916 1.00 34.01 H new ATOM 0 HD12 LEU A 20 2.846 -9.576 6.908 1.00 34.01 H new ATOM 0 HD13 LEU A 20 1.863 -8.221 6.302 1.00 34.01 H new ATOM 0 HD21 LEU A 20 0.449 -7.685 8.987 1.00 3.21 H new ATOM 0 HD22 LEU A 20 -0.431 -7.767 7.443 1.00 3.21 H new ATOM 0 HD23 LEU A 20 -0.911 -8.817 8.798 1.00 3.21 H new ATOM 338 N LEU A 21 0.827 -8.140 4.240 1.00 1.35 N ATOM 339 CA LEU A 21 1.784 -7.712 3.214 1.00 35.51 C ATOM 340 C LEU A 21 3.211 -8.204 3.518 1.00 53.35 C ATOM 341 O LEU A 21 3.705 -8.057 4.635 1.00 70.42 O ATOM 342 CB LEU A 21 1.758 -6.177 3.087 1.00 64.12 C ATOM 343 CG LEU A 21 2.735 -5.567 2.064 1.00 2.03 C ATOM 344 CD1 LEU A 21 2.507 -6.145 0.670 1.00 60.25 C ATOM 345 CD2 LEU A 21 2.603 -4.046 2.041 1.00 44.14 C ATOM 0 H LEU A 21 0.385 -7.371 4.744 1.00 1.35 H new ATOM 0 HA LEU A 21 1.484 -8.160 2.267 1.00 35.51 H new ATOM 0 HB2 LEU A 21 0.746 -5.872 2.820 1.00 64.12 H new ATOM 0 HB3 LEU A 21 1.973 -5.748 4.066 1.00 64.12 H new ATOM 0 HG LEU A 21 3.748 -5.825 2.372 1.00 2.03 H new ATOM 0 HD11 LEU A 21 3.211 -5.695 -0.030 1.00 60.25 H new ATOM 0 HD12 LEU A 21 2.659 -7.224 0.694 1.00 60.25 H new ATOM 0 HD13 LEU A 21 1.488 -5.929 0.349 1.00 60.25 H new ATOM 0 HD21 LEU A 21 3.300 -3.631 1.313 1.00 44.14 H new ATOM 0 HD22 LEU A 21 1.585 -3.773 1.764 1.00 44.14 H new ATOM 0 HD23 LEU A 21 2.830 -3.646 3.029 1.00 44.14 H new ATOM 357 N GLU A 22 3.856 -8.794 2.505 1.00 14.22 N ATOM 358 CA GLU A 22 5.235 -9.289 2.622 1.00 42.51 C ATOM 359 C GLU A 22 6.154 -8.263 3.308 1.00 4.24 C ATOM 360 O GLU A 22 6.103 -7.077 2.999 1.00 41.52 O ATOM 361 CB GLU A 22 5.785 -9.627 1.223 1.00 31.14 C ATOM 362 CG GLU A 22 7.266 -10.015 1.203 1.00 42.41 C ATOM 363 CD GLU A 22 7.572 -11.255 2.031 1.00 3.34 C ATOM 364 OE1 GLU A 22 7.359 -12.376 1.532 1.00 0.53 O ATOM 365 OE2 GLU A 22 8.030 -11.107 3.186 1.00 43.25 O ATOM 0 H GLU A 22 3.441 -8.942 1.585 1.00 14.22 H new ATOM 0 HA GLU A 22 5.217 -10.186 3.242 1.00 42.51 H new ATOM 0 HB2 GLU A 22 5.201 -10.447 0.805 1.00 31.14 H new ATOM 0 HB3 GLU A 22 5.638 -8.766 0.571 1.00 31.14 H new ATOM 0 HG2 GLU A 22 7.576 -10.189 0.172 1.00 42.41 H new ATOM 0 HG3 GLU A 22 7.859 -9.180 1.578 1.00 42.41 H new ATOM 372 N SER A 23 7.007 -8.739 4.214 1.00 33.53 N ATOM 373 CA SER A 23 7.893 -7.867 5.003 1.00 31.12 C ATOM 374 C SER A 23 8.741 -6.941 4.115 1.00 42.12 C ATOM 375 O SER A 23 8.839 -5.739 4.373 1.00 61.51 O ATOM 376 CB SER A 23 8.825 -8.716 5.877 1.00 52.11 C ATOM 377 OG SER A 23 9.656 -9.548 5.081 1.00 42.33 O ATOM 0 H SER A 23 7.108 -9.732 4.425 1.00 33.53 H new ATOM 0 HA SER A 23 7.253 -7.243 5.627 1.00 31.12 H new ATOM 0 HB2 SER A 23 9.443 -8.064 6.495 1.00 52.11 H new ATOM 0 HB3 SER A 23 8.233 -9.330 6.555 1.00 52.11 H new ATOM 0 HG SER A 23 9.100 -10.085 4.479 1.00 42.33 H new ATOM 383 N LYS A 24 9.336 -7.500 3.060 1.00 40.20 N ATOM 384 CA LYS A 24 10.172 -6.716 2.142 1.00 40.21 C ATOM 385 C LYS A 24 9.323 -5.788 1.257 1.00 60.43 C ATOM 386 O LYS A 24 9.789 -4.742 0.806 1.00 72.14 O ATOM 387 CB LYS A 24 11.032 -7.648 1.275 1.00 4.30 C ATOM 388 CG LYS A 24 11.936 -8.577 2.086 1.00 63.22 C ATOM 389 CD LYS A 24 12.857 -7.806 3.036 1.00 12.40 C ATOM 390 CE LYS A 24 13.841 -6.908 2.292 1.00 34.44 C ATOM 391 NZ LYS A 24 14.679 -6.111 3.230 1.00 12.24 N ATOM 0 H LYS A 24 9.257 -8.488 2.818 1.00 40.20 H new ATOM 0 HA LYS A 24 10.829 -6.088 2.744 1.00 40.21 H new ATOM 0 HB2 LYS A 24 10.378 -8.250 0.645 1.00 4.30 H new ATOM 0 HB3 LYS A 24 11.649 -7.045 0.609 1.00 4.30 H new ATOM 0 HG2 LYS A 24 11.320 -9.268 2.661 1.00 63.22 H new ATOM 0 HG3 LYS A 24 12.540 -9.178 1.406 1.00 63.22 H new ATOM 0 HD2 LYS A 24 12.253 -7.198 3.710 1.00 12.40 H new ATOM 0 HD3 LYS A 24 13.410 -8.513 3.654 1.00 12.40 H new ATOM 0 HE2 LYS A 24 14.484 -7.519 1.659 1.00 34.44 H new ATOM 0 HE3 LYS A 24 13.292 -6.235 1.633 1.00 34.44 H new ATOM 0 HZ1 LYS A 24 15.463 -5.672 2.707 1.00 12.24 H new ATOM 0 HZ2 LYS A 24 14.098 -5.369 3.670 1.00 12.24 H new ATOM 0 HZ3 LYS A 24 15.062 -6.735 3.969 1.00 12.24 H new ATOM 405 N GLY A 25 8.074 -6.177 1.014 1.00 55.42 N ATOM 406 CA GLY A 25 7.154 -5.319 0.281 1.00 74.05 C ATOM 407 C GLY A 25 6.671 -4.147 1.127 1.00 62.23 C ATOM 408 O GLY A 25 6.626 -3.010 0.664 1.00 41.34 O ATOM 0 H GLY A 25 7.681 -7.070 1.311 1.00 55.42 H new ATOM 0 HA2 GLY A 25 7.646 -4.941 -0.615 1.00 74.05 H new ATOM 0 HA3 GLY A 25 6.297 -5.905 -0.050 1.00 74.05 H new ATOM 412 N LEU A 26 6.350 -4.431 2.384 1.00 74.42 N ATOM 413 CA LEU A 26 5.871 -3.427 3.334 1.00 22.33 C ATOM 414 C LEU A 26 6.840 -2.241 3.425 1.00 40.31 C ATOM 415 O LEU A 26 6.439 -1.084 3.290 1.00 53.44 O ATOM 416 CB LEU A 26 5.691 -4.079 4.715 1.00 11.14 C ATOM 417 CG LEU A 26 5.152 -3.168 5.830 1.00 34.40 C ATOM 418 CD1 LEU A 26 3.763 -2.630 5.478 1.00 71.14 C ATOM 419 CD2 LEU A 26 5.127 -3.918 7.161 1.00 73.13 C ATOM 0 H LEU A 26 6.414 -5.370 2.778 1.00 74.42 H new ATOM 0 HA LEU A 26 4.913 -3.043 2.984 1.00 22.33 H new ATOM 0 HB2 LEU A 26 5.014 -4.927 4.608 1.00 11.14 H new ATOM 0 HB3 LEU A 26 6.654 -4.478 5.034 1.00 11.14 H new ATOM 0 HG LEU A 26 5.821 -2.313 5.928 1.00 34.40 H new ATOM 0 HD11 LEU A 26 3.406 -1.989 6.284 1.00 71.14 H new ATOM 0 HD12 LEU A 26 3.819 -2.054 4.554 1.00 71.14 H new ATOM 0 HD13 LEU A 26 3.073 -3.463 5.345 1.00 71.14 H new ATOM 0 HD21 LEU A 26 4.743 -3.261 7.942 1.00 73.13 H new ATOM 0 HD22 LEU A 26 4.483 -4.793 7.074 1.00 73.13 H new ATOM 0 HD23 LEU A 26 6.137 -4.236 7.419 1.00 73.13 H new ATOM 431 N GLU A 27 8.119 -2.537 3.639 1.00 40.24 N ATOM 432 CA GLU A 27 9.149 -1.495 3.681 1.00 70.04 C ATOM 433 C GLU A 27 9.270 -0.767 2.331 1.00 12.13 C ATOM 434 O GLU A 27 9.675 0.395 2.284 1.00 53.30 O ATOM 435 CB GLU A 27 10.509 -2.080 4.083 1.00 32.33 C ATOM 436 CG GLU A 27 11.034 -3.137 3.123 1.00 11.25 C ATOM 437 CD GLU A 27 12.513 -3.412 3.313 1.00 4.12 C ATOM 438 OE1 GLU A 27 12.868 -4.237 4.181 1.00 2.44 O ATOM 439 OE2 GLU A 27 13.329 -2.793 2.600 1.00 31.04 O ATOM 0 H GLU A 27 8.469 -3.484 3.786 1.00 40.24 H new ATOM 0 HA GLU A 27 8.842 -0.770 4.435 1.00 70.04 H new ATOM 0 HB2 GLU A 27 11.236 -1.271 4.150 1.00 32.33 H new ATOM 0 HB3 GLU A 27 10.426 -2.517 5.078 1.00 32.33 H new ATOM 0 HG2 GLU A 27 10.475 -4.062 3.265 1.00 11.25 H new ATOM 0 HG3 GLU A 27 10.857 -2.812 2.098 1.00 11.25 H new ATOM 446 N ALA A 28 8.946 -1.455 1.234 1.00 14.22 N ATOM 447 CA ALA A 28 8.972 -0.839 -0.098 1.00 43.30 C ATOM 448 C ALA A 28 7.840 0.187 -0.242 1.00 11.04 C ATOM 449 O ALA A 28 8.049 1.295 -0.739 1.00 62.43 O ATOM 450 CB ALA A 28 8.879 -1.909 -1.181 1.00 3.50 C ATOM 0 H ALA A 28 8.663 -2.435 1.239 1.00 14.22 H new ATOM 0 HA ALA A 28 9.919 -0.314 -0.218 1.00 43.30 H new ATOM 0 HB1 ALA A 28 8.900 -1.436 -2.163 1.00 3.50 H new ATOM 0 HB2 ALA A 28 9.723 -2.593 -1.090 1.00 3.50 H new ATOM 0 HB3 ALA A 28 7.948 -2.464 -1.065 1.00 3.50 H new ATOM 456 N LEU A 29 6.647 -0.190 0.214 1.00 72.34 N ATOM 457 CA LEU A 29 5.502 0.731 0.249 1.00 63.22 C ATOM 458 C LEU A 29 5.794 1.935 1.160 1.00 64.42 C ATOM 459 O LEU A 29 5.547 3.079 0.783 1.00 33.33 O ATOM 460 CB LEU A 29 4.222 0.002 0.715 1.00 64.11 C ATOM 461 CG LEU A 29 3.462 -0.792 -0.373 1.00 1.01 C ATOM 462 CD1 LEU A 29 2.968 0.143 -1.477 1.00 25.01 C ATOM 463 CD2 LEU A 29 4.330 -1.905 -0.962 1.00 60.53 C ATOM 0 H LEU A 29 6.443 -1.126 0.565 1.00 72.34 H new ATOM 0 HA LEU A 29 5.339 1.098 -0.764 1.00 63.22 H new ATOM 0 HB2 LEU A 29 4.490 -0.685 1.518 1.00 64.11 H new ATOM 0 HB3 LEU A 29 3.542 0.740 1.141 1.00 64.11 H new ATOM 0 HG LEU A 29 2.598 -1.258 0.101 1.00 1.01 H new ATOM 0 HD11 LEU A 29 2.436 -0.435 -2.232 1.00 25.01 H new ATOM 0 HD12 LEU A 29 2.296 0.887 -1.050 1.00 25.01 H new ATOM 0 HD13 LEU A 29 3.819 0.645 -1.937 1.00 25.01 H new ATOM 0 HD21 LEU A 29 3.765 -2.443 -1.723 1.00 60.53 H new ATOM 0 HD22 LEU A 29 5.223 -1.471 -1.412 1.00 60.53 H new ATOM 0 HD23 LEU A 29 4.622 -2.596 -0.171 1.00 60.53 H new ATOM 475 N ASN A 30 6.331 1.671 2.356 1.00 15.05 N ATOM 476 CA ASN A 30 6.726 2.744 3.285 1.00 12.40 C ATOM 477 C ASN A 30 7.744 3.703 2.643 1.00 23.22 C ATOM 478 O ASN A 30 7.599 4.918 2.739 1.00 20.02 O ATOM 479 CB ASN A 30 7.298 2.163 4.588 1.00 13.42 C ATOM 480 CG ASN A 30 6.211 1.729 5.558 1.00 4.24 C ATOM 481 OD1 ASN A 30 5.751 2.514 6.376 1.00 2.43 O ATOM 482 ND2 ASN A 30 5.795 0.485 5.484 1.00 75.44 N ATOM 0 H ASN A 30 6.503 0.728 2.706 1.00 15.05 H new ATOM 0 HA ASN A 30 5.826 3.312 3.520 1.00 12.40 H new ATOM 0 HB2 ASN A 30 7.933 1.309 4.353 1.00 13.42 H new ATOM 0 HB3 ASN A 30 7.932 2.909 5.067 1.00 13.42 H new ATOM 0 HD21 ASN A 30 5.070 0.151 6.119 1.00 75.44 H new ATOM 0 HD22 ASN A 30 6.197 -0.147 4.792 1.00 75.44 H new ATOM 489 N LYS A 31 8.766 3.155 1.985 1.00 62.22 N ATOM 490 CA LYS A 31 9.757 3.979 1.278 1.00 64.45 C ATOM 491 C LYS A 31 9.105 4.787 0.143 1.00 33.51 C ATOM 492 O LYS A 31 9.478 5.934 -0.108 1.00 40.31 O ATOM 493 CB LYS A 31 10.907 3.109 0.739 1.00 15.12 C ATOM 494 CG LYS A 31 11.917 2.701 1.813 1.00 55.45 C ATOM 495 CD LYS A 31 13.150 2.010 1.221 1.00 64.44 C ATOM 496 CE LYS A 31 12.856 0.589 0.749 1.00 74.42 C ATOM 497 NZ LYS A 31 12.501 -0.307 1.881 1.00 61.01 N ATOM 0 H LYS A 31 8.932 2.150 1.925 1.00 62.22 H new ATOM 0 HA LYS A 31 10.171 4.688 1.995 1.00 64.45 H new ATOM 0 HB2 LYS A 31 10.490 2.211 0.283 1.00 15.12 H new ATOM 0 HB3 LYS A 31 11.426 3.654 -0.049 1.00 15.12 H new ATOM 0 HG2 LYS A 31 12.230 3.585 2.368 1.00 55.45 H new ATOM 0 HG3 LYS A 31 11.435 2.031 2.526 1.00 55.45 H new ATOM 0 HD2 LYS A 31 13.524 2.598 0.382 1.00 64.44 H new ATOM 0 HD3 LYS A 31 13.942 1.984 1.970 1.00 64.44 H new ATOM 0 HE2 LYS A 31 12.037 0.607 0.029 1.00 74.42 H new ATOM 0 HE3 LYS A 31 13.728 0.191 0.230 1.00 74.42 H new ATOM 0 HZ1 LYS A 31 12.573 -1.298 1.575 1.00 61.01 H new ATOM 0 HZ2 LYS A 31 13.154 -0.141 2.673 1.00 61.01 H new ATOM 0 HZ3 LYS A 31 11.527 -0.110 2.188 1.00 61.01 H new ATOM 511 N ALA A 32 8.123 4.191 -0.532 1.00 13.51 N ATOM 512 CA ALA A 32 7.351 4.900 -1.561 1.00 34.45 C ATOM 513 C ALA A 32 6.524 6.043 -0.943 1.00 52.41 C ATOM 514 O ALA A 32 6.354 7.106 -1.549 1.00 32.14 O ATOM 515 CB ALA A 32 6.449 3.925 -2.306 1.00 43.11 C ATOM 0 H ALA A 32 7.841 3.221 -0.388 1.00 13.51 H new ATOM 0 HA ALA A 32 8.051 5.341 -2.271 1.00 34.45 H new ATOM 0 HB1 ALA A 32 5.882 4.462 -3.066 1.00 43.11 H new ATOM 0 HB2 ALA A 32 7.058 3.157 -2.783 1.00 43.11 H new ATOM 0 HB3 ALA A 32 5.760 3.457 -1.603 1.00 43.11 H new ATOM 521 N ILE A 33 6.006 5.803 0.261 1.00 11.15 N ATOM 522 CA ILE A 33 5.301 6.832 1.038 1.00 34.44 C ATOM 523 C ILE A 33 6.249 7.986 1.397 1.00 63.11 C ATOM 524 O ILE A 33 5.931 9.159 1.189 1.00 21.45 O ATOM 525 CB ILE A 33 4.693 6.232 2.336 1.00 32.02 C ATOM 526 CG1 ILE A 33 3.596 5.210 1.991 1.00 24.20 C ATOM 527 CG2 ILE A 33 4.144 7.331 3.244 1.00 61.54 C ATOM 528 CD1 ILE A 33 3.026 4.488 3.193 1.00 73.14 C ATOM 0 H ILE A 33 6.060 4.897 0.726 1.00 11.15 H new ATOM 0 HA ILE A 33 4.491 7.216 0.418 1.00 34.44 H new ATOM 0 HB ILE A 33 5.487 5.718 2.878 1.00 32.02 H new ATOM 0 HG12 ILE A 33 2.787 5.723 1.471 1.00 24.20 H new ATOM 0 HG13 ILE A 33 4.004 4.474 1.298 1.00 24.20 H new ATOM 0 HG21 ILE A 33 3.725 6.883 4.145 1.00 61.54 H new ATOM 0 HG22 ILE A 33 4.949 8.012 3.519 1.00 61.54 H new ATOM 0 HG23 ILE A 33 3.366 7.883 2.717 1.00 61.54 H new ATOM 0 HD11 ILE A 33 2.259 3.786 2.866 1.00 73.14 H new ATOM 0 HD12 ILE A 33 3.822 3.945 3.702 1.00 73.14 H new ATOM 0 HD13 ILE A 33 2.586 5.213 3.878 1.00 73.14 H new ATOM 540 N VAL A 34 7.421 7.633 1.921 1.00 74.51 N ATOM 541 CA VAL A 34 8.466 8.611 2.247 1.00 65.41 C ATOM 542 C VAL A 34 8.921 9.373 0.990 1.00 51.14 C ATOM 543 O VAL A 34 9.309 10.543 1.055 1.00 65.44 O ATOM 544 CB VAL A 34 9.690 7.911 2.898 1.00 25.44 C ATOM 545 CG1 VAL A 34 10.811 8.906 3.192 1.00 33.53 C ATOM 546 CG2 VAL A 34 9.273 7.183 4.175 1.00 61.43 C ATOM 0 H VAL A 34 7.676 6.668 2.132 1.00 74.51 H new ATOM 0 HA VAL A 34 8.041 9.322 2.956 1.00 65.41 H new ATOM 0 HB VAL A 34 10.072 7.180 2.186 1.00 25.44 H new ATOM 0 HG11 VAL A 34 11.652 8.383 3.647 1.00 33.53 H new ATOM 0 HG12 VAL A 34 11.135 9.374 2.263 1.00 33.53 H new ATOM 0 HG13 VAL A 34 10.447 9.672 3.877 1.00 33.53 H new ATOM 0 HG21 VAL A 34 10.143 6.698 4.618 1.00 61.43 H new ATOM 0 HG22 VAL A 34 8.857 7.900 4.883 1.00 61.43 H new ATOM 0 HG23 VAL A 34 8.521 6.431 3.936 1.00 61.43 H new ATOM 556 N SER A 35 8.871 8.697 -0.155 1.00 3.11 N ATOM 557 CA SER A 35 9.212 9.314 -1.447 1.00 23.15 C ATOM 558 C SER A 35 8.066 10.193 -1.971 1.00 3.40 C ATOM 559 O SER A 35 8.267 11.033 -2.847 1.00 0.54 O ATOM 560 CB SER A 35 9.539 8.231 -2.485 1.00 73.25 C ATOM 561 OG SER A 35 9.958 8.799 -3.719 1.00 54.13 O ATOM 0 H SER A 35 8.597 7.717 -0.221 1.00 3.11 H new ATOM 0 HA SER A 35 10.086 9.946 -1.288 1.00 23.15 H new ATOM 0 HB2 SER A 35 10.323 7.580 -2.098 1.00 73.25 H new ATOM 0 HB3 SER A 35 8.660 7.607 -2.650 1.00 73.25 H new ATOM 0 HG SER A 35 9.684 9.739 -3.756 1.00 54.13 H new ATOM 567 N GLY A 36 6.864 9.989 -1.435 1.00 73.21 N ATOM 568 CA GLY A 36 5.703 10.759 -1.865 1.00 62.21 C ATOM 569 C GLY A 36 5.205 10.381 -3.258 1.00 32.21 C ATOM 570 O GLY A 36 4.926 11.249 -4.086 1.00 3.21 O ATOM 0 H GLY A 36 6.671 9.301 -0.707 1.00 73.21 H new ATOM 0 HA2 GLY A 36 4.895 10.615 -1.147 1.00 62.21 H new ATOM 0 HA3 GLY A 36 5.955 11.819 -1.853 1.00 62.21 H new ATOM 574 N THR A 37 5.092 9.079 -3.522 1.00 62.43 N ATOM 575 CA THR A 37 4.602 8.587 -4.824 1.00 33.31 C ATOM 576 C THR A 37 3.490 7.535 -4.659 1.00 55.40 C ATOM 577 O THR A 37 3.182 6.789 -5.587 1.00 50.21 O ATOM 578 CB THR A 37 5.757 7.985 -5.671 1.00 35.13 C ATOM 579 OG1 THR A 37 5.280 7.592 -6.970 1.00 4.42 O ATOM 580 CG2 THR A 37 6.393 6.783 -4.973 1.00 44.33 C ATOM 0 H THR A 37 5.331 8.342 -2.858 1.00 62.43 H new ATOM 0 HA THR A 37 4.188 9.451 -5.345 1.00 33.31 H new ATOM 0 HB THR A 37 6.516 8.759 -5.785 1.00 35.13 H new ATOM 0 HG1 THR A 37 4.373 7.230 -6.890 1.00 4.42 H new ATOM 0 HG21 THR A 37 7.197 6.386 -5.593 1.00 44.33 H new ATOM 0 HG22 THR A 37 6.797 7.094 -4.009 1.00 44.33 H new ATOM 0 HG23 THR A 37 5.639 6.011 -4.819 1.00 44.33 H new ATOM 588 N VAL A 38 2.882 7.486 -3.475 1.00 14.04 N ATOM 589 CA VAL A 38 1.783 6.548 -3.203 1.00 34.22 C ATOM 590 C VAL A 38 0.413 7.208 -3.413 1.00 45.03 C ATOM 591 O VAL A 38 -0.061 7.965 -2.563 1.00 64.31 O ATOM 592 CB VAL A 38 1.857 5.981 -1.762 1.00 75.51 C ATOM 593 CG1 VAL A 38 0.679 5.046 -1.480 1.00 53.41 C ATOM 594 CG2 VAL A 38 3.183 5.263 -1.539 1.00 43.25 C ATOM 0 H VAL A 38 3.129 8.083 -2.686 1.00 14.04 H new ATOM 0 HA VAL A 38 1.896 5.728 -3.912 1.00 34.22 H new ATOM 0 HB VAL A 38 1.796 6.816 -1.064 1.00 75.51 H new ATOM 0 HG11 VAL A 38 0.755 4.662 -0.463 1.00 53.41 H new ATOM 0 HG12 VAL A 38 -0.256 5.595 -1.592 1.00 53.41 H new ATOM 0 HG13 VAL A 38 0.698 4.214 -2.184 1.00 53.41 H new ATOM 0 HG21 VAL A 38 3.218 4.871 -0.522 1.00 43.25 H new ATOM 0 HG22 VAL A 38 3.275 4.440 -2.248 1.00 43.25 H new ATOM 0 HG23 VAL A 38 4.005 5.963 -1.687 1.00 43.25 H new ATOM 604 N GLN A 39 -0.209 6.928 -4.552 1.00 52.30 N ATOM 605 CA GLN A 39 -1.541 7.454 -4.854 1.00 22.24 C ATOM 606 C GLN A 39 -2.647 6.536 -4.311 1.00 72.13 C ATOM 607 O GLN A 39 -2.702 5.347 -4.630 1.00 54.44 O ATOM 608 CB GLN A 39 -1.712 7.629 -6.370 1.00 53.21 C ATOM 609 CG GLN A 39 -0.717 8.600 -6.997 1.00 64.53 C ATOM 610 CD GLN A 39 -0.865 8.702 -8.506 1.00 30.43 C ATOM 611 OE1 GLN A 39 -1.620 9.522 -9.018 1.00 32.14 O ATOM 612 NE2 GLN A 39 -0.154 7.858 -9.229 1.00 5.12 N ATOM 0 H GLN A 39 0.186 6.339 -5.285 1.00 52.30 H new ATOM 0 HA GLN A 39 -1.632 8.423 -4.363 1.00 22.24 H new ATOM 0 HB2 GLN A 39 -1.609 6.657 -6.852 1.00 53.21 H new ATOM 0 HB3 GLN A 39 -2.724 7.979 -6.573 1.00 53.21 H new ATOM 0 HG2 GLN A 39 -0.853 9.587 -6.556 1.00 64.53 H new ATOM 0 HG3 GLN A 39 0.297 8.280 -6.757 1.00 64.53 H new ATOM 0 HE21 GLN A 39 0.464 7.189 -8.770 1.00 5.12 H new ATOM 0 HE22 GLN A 39 -0.223 7.875 -10.247 1.00 5.12 H new ATOM 621 N ARG A 40 -3.515 7.102 -3.478 1.00 0.14 N ATOM 622 CA ARG A 40 -4.713 6.404 -2.993 1.00 20.44 C ATOM 623 C ARG A 40 -5.704 6.173 -4.150 1.00 53.43 C ATOM 624 O ARG A 40 -5.488 6.658 -5.265 1.00 3.44 O ATOM 625 CB ARG A 40 -5.378 7.242 -1.887 1.00 72.45 C ATOM 626 CG ARG A 40 -4.487 7.483 -0.662 1.00 32.51 C ATOM 627 CD ARG A 40 -4.779 6.500 0.469 1.00 64.04 C ATOM 628 NE ARG A 40 -6.097 6.736 1.054 1.00 62.02 N ATOM 629 CZ ARG A 40 -6.665 5.969 1.942 1.00 44.05 C ATOM 630 NH1 ARG A 40 -6.068 4.911 2.397 1.00 23.30 N ATOM 631 NH2 ARG A 40 -7.839 6.274 2.379 1.00 40.40 N ATOM 0 H ARG A 40 -3.414 8.051 -3.119 1.00 0.14 H new ATOM 0 HA ARG A 40 -4.423 5.434 -2.589 1.00 20.44 H new ATOM 0 HB2 ARG A 40 -5.673 8.205 -2.304 1.00 72.45 H new ATOM 0 HB3 ARG A 40 -6.291 6.741 -1.566 1.00 72.45 H new ATOM 0 HG2 ARG A 40 -3.440 7.397 -0.954 1.00 32.51 H new ATOM 0 HG3 ARG A 40 -4.635 8.501 -0.303 1.00 32.51 H new ATOM 0 HD2 ARG A 40 -4.725 5.480 0.089 1.00 64.04 H new ATOM 0 HD3 ARG A 40 -4.015 6.593 1.241 1.00 64.04 H new ATOM 0 HE ARG A 40 -6.610 7.561 0.745 1.00 62.02 H new ATOM 0 HH11 ARG A 40 -5.137 4.666 2.060 1.00 23.30 H new ATOM 0 HH12 ARG A 40 -6.530 4.324 3.092 1.00 23.30 H new ATOM 0 HH21 ARG A 40 -8.313 7.107 2.030 1.00 40.40 H new ATOM 0 HH22 ARG A 40 -8.294 5.682 3.074 1.00 40.40 H new ATOM 645 N ALA A 41 -6.792 5.449 -3.886 1.00 42.12 N ATOM 646 CA ALA A 41 -7.831 5.219 -4.901 1.00 52.20 C ATOM 647 C ALA A 41 -8.342 6.542 -5.504 1.00 60.12 C ATOM 648 O ALA A 41 -8.667 6.617 -6.691 1.00 71.35 O ATOM 649 CB ALA A 41 -8.989 4.429 -4.304 1.00 71.30 C ATOM 0 H ALA A 41 -6.980 5.012 -2.984 1.00 42.12 H new ATOM 0 HA ALA A 41 -7.381 4.640 -5.707 1.00 52.20 H new ATOM 0 HB1 ALA A 41 -9.750 4.266 -5.067 1.00 71.30 H new ATOM 0 HB2 ALA A 41 -8.625 3.467 -3.943 1.00 71.30 H new ATOM 0 HB3 ALA A 41 -9.421 4.988 -3.474 1.00 71.30 H new ATOM 655 N ASP A 42 -8.408 7.578 -4.669 1.00 61.23 N ATOM 656 CA ASP A 42 -8.816 8.919 -5.103 1.00 61.22 C ATOM 657 C ASP A 42 -7.738 9.595 -5.969 1.00 40.12 C ATOM 658 O ASP A 42 -8.041 10.413 -6.837 1.00 61.43 O ATOM 659 CB ASP A 42 -9.081 9.793 -3.874 1.00 21.53 C ATOM 660 CG ASP A 42 -10.015 9.128 -2.880 1.00 3.32 C ATOM 661 OD1 ASP A 42 -9.588 8.156 -2.227 1.00 34.11 O ATOM 662 OD2 ASP A 42 -11.172 9.584 -2.745 1.00 3.34 O ATOM 0 H ASP A 42 -8.182 7.515 -3.676 1.00 61.23 H new ATOM 0 HA ASP A 42 -9.719 8.811 -5.704 1.00 61.22 H new ATOM 0 HB2 ASP A 42 -8.135 10.021 -3.383 1.00 21.53 H new ATOM 0 HB3 ASP A 42 -9.511 10.742 -4.193 1.00 21.53 H new ATOM 667 N GLY A 43 -6.477 9.239 -5.732 1.00 74.14 N ATOM 668 CA GLY A 43 -5.354 9.919 -6.376 1.00 22.43 C ATOM 669 C GLY A 43 -4.507 10.710 -5.380 1.00 43.02 C ATOM 670 O GLY A 43 -3.345 11.019 -5.645 1.00 3.34 O ATOM 0 H GLY A 43 -6.207 8.485 -5.100 1.00 74.14 H new ATOM 0 HA2 GLY A 43 -4.727 9.183 -6.879 1.00 22.43 H new ATOM 0 HA3 GLY A 43 -5.733 10.594 -7.144 1.00 22.43 H new ATOM 674 N SER A 44 -5.103 11.040 -4.232 1.00 20.10 N ATOM 675 CA SER A 44 -4.398 11.746 -3.146 1.00 62.11 C ATOM 676 C SER A 44 -3.174 10.956 -2.661 1.00 2.12 C ATOM 677 O SER A 44 -3.224 9.733 -2.535 1.00 20.21 O ATOM 678 CB SER A 44 -5.351 11.979 -1.960 1.00 12.34 C ATOM 679 OG SER A 44 -6.529 12.663 -2.365 1.00 23.45 O ATOM 0 H SER A 44 -6.079 10.830 -4.024 1.00 20.10 H new ATOM 0 HA SER A 44 -4.057 12.702 -3.543 1.00 62.11 H new ATOM 0 HB2 SER A 44 -5.620 11.021 -1.515 1.00 12.34 H new ATOM 0 HB3 SER A 44 -4.840 12.557 -1.190 1.00 12.34 H new ATOM 0 HG SER A 44 -7.114 12.794 -1.590 1.00 23.45 H new ATOM 685 N ILE A 45 -2.082 11.660 -2.381 1.00 54.21 N ATOM 686 CA ILE A 45 -0.850 11.019 -1.904 1.00 55.14 C ATOM 687 C ILE A 45 -0.952 10.622 -0.421 1.00 74.14 C ATOM 688 O ILE A 45 -1.256 11.451 0.439 1.00 72.23 O ATOM 689 CB ILE A 45 0.382 11.943 -2.103 1.00 12.24 C ATOM 690 CG1 ILE A 45 0.575 12.261 -3.596 1.00 15.41 C ATOM 691 CG2 ILE A 45 1.645 11.304 -1.518 1.00 33.01 C ATOM 692 CD1 ILE A 45 0.837 11.044 -4.460 1.00 44.34 C ATOM 0 H ILE A 45 -2.020 12.674 -2.474 1.00 54.21 H new ATOM 0 HA ILE A 45 -0.719 10.116 -2.500 1.00 55.14 H new ATOM 0 HB ILE A 45 0.201 12.876 -1.570 1.00 12.24 H new ATOM 0 HG12 ILE A 45 -0.315 12.771 -3.966 1.00 15.41 H new ATOM 0 HG13 ILE A 45 1.408 12.956 -3.704 1.00 15.41 H new ATOM 0 HG21 ILE A 45 2.494 11.971 -1.670 1.00 33.01 H new ATOM 0 HG22 ILE A 45 1.505 11.132 -0.451 1.00 33.01 H new ATOM 0 HG23 ILE A 45 1.836 10.354 -2.016 1.00 33.01 H new ATOM 0 HD11 ILE A 45 0.962 11.354 -5.497 1.00 44.34 H new ATOM 0 HD12 ILE A 45 1.744 10.544 -4.119 1.00 44.34 H new ATOM 0 HD13 ILE A 45 -0.006 10.357 -4.386 1.00 44.34 H new ATOM 704 N GLN A 46 -0.701 9.347 -0.133 1.00 45.03 N ATOM 705 CA GLN A 46 -0.701 8.849 1.243 1.00 43.01 C ATOM 706 C GLN A 46 0.647 9.141 1.923 1.00 20.01 C ATOM 707 O GLN A 46 1.660 8.513 1.616 1.00 35.32 O ATOM 708 CB GLN A 46 -0.995 7.340 1.266 1.00 40.31 C ATOM 709 CG GLN A 46 -1.017 6.736 2.667 1.00 12.23 C ATOM 710 CD GLN A 46 -1.419 5.270 2.671 1.00 34.02 C ATOM 711 OE1 GLN A 46 -2.595 4.934 2.775 1.00 51.54 O ATOM 712 NE2 GLN A 46 -0.449 4.388 2.553 1.00 71.23 N ATOM 0 H GLN A 46 -0.494 8.637 -0.836 1.00 45.03 H new ATOM 0 HA GLN A 46 -1.486 9.366 1.796 1.00 43.01 H new ATOM 0 HB2 GLN A 46 -1.958 7.160 0.788 1.00 40.31 H new ATOM 0 HB3 GLN A 46 -0.242 6.824 0.670 1.00 40.31 H new ATOM 0 HG2 GLN A 46 -0.030 6.838 3.117 1.00 12.23 H new ATOM 0 HG3 GLN A 46 -1.711 7.300 3.290 1.00 12.23 H new ATOM 0 HE21 GLN A 46 0.518 4.702 2.469 1.00 71.23 H new ATOM 0 HE22 GLN A 46 -0.664 3.391 2.546 1.00 71.23 H new ATOM 721 N ASN A 47 0.651 10.105 2.840 1.00 60.51 N ATOM 722 CA ASN A 47 1.880 10.528 3.523 1.00 72.11 C ATOM 723 C ASN A 47 2.132 9.716 4.809 1.00 30.34 C ATOM 724 O ASN A 47 3.242 9.709 5.343 1.00 53.33 O ATOM 725 CB ASN A 47 1.794 12.023 3.856 1.00 60.34 C ATOM 726 CG ASN A 47 1.347 12.852 2.664 1.00 34.43 C ATOM 727 OD1 ASN A 47 2.158 13.313 1.866 1.00 34.31 O ATOM 728 ND2 ASN A 47 0.051 13.050 2.533 1.00 62.21 N ATOM 0 H ASN A 47 -0.185 10.612 3.131 1.00 60.51 H new ATOM 0 HA ASN A 47 2.718 10.345 2.850 1.00 72.11 H new ATOM 0 HB2 ASN A 47 1.097 12.170 4.681 1.00 60.34 H new ATOM 0 HB3 ASN A 47 2.768 12.374 4.196 1.00 60.34 H new ATOM 0 HD21 ASN A 47 -0.304 13.600 1.751 1.00 62.21 H new ATOM 0 HD22 ASN A 47 -0.597 12.653 3.214 1.00 62.21 H new ATOM 735 N GLN A 48 1.100 9.035 5.305 1.00 61.45 N ATOM 736 CA GLN A 48 1.219 8.228 6.529 1.00 11.12 C ATOM 737 C GLN A 48 1.880 6.865 6.256 1.00 10.52 C ATOM 738 O GLN A 48 1.331 6.028 5.536 1.00 63.42 O ATOM 739 CB GLN A 48 -0.161 8.020 7.169 1.00 52.30 C ATOM 740 CG GLN A 48 -0.835 9.315 7.616 1.00 2.14 C ATOM 741 CD GLN A 48 -2.180 9.081 8.284 1.00 0.31 C ATOM 742 OE1 GLN A 48 -2.886 8.132 7.971 1.00 31.12 O ATOM 743 NE2 GLN A 48 -2.546 9.947 9.207 1.00 3.44 N ATOM 0 H GLN A 48 0.172 9.023 4.883 1.00 61.45 H new ATOM 0 HA GLN A 48 1.859 8.778 7.219 1.00 11.12 H new ATOM 0 HB2 GLN A 48 -0.809 7.512 6.455 1.00 52.30 H new ATOM 0 HB3 GLN A 48 -0.056 7.360 8.030 1.00 52.30 H new ATOM 0 HG2 GLN A 48 -0.178 9.841 8.308 1.00 2.14 H new ATOM 0 HG3 GLN A 48 -0.972 9.965 6.751 1.00 2.14 H new ATOM 0 HE21 GLN A 48 -1.934 10.728 9.445 1.00 3.44 H new ATOM 0 HE22 GLN A 48 -3.441 9.837 9.684 1.00 3.44 H new ATOM 752 N SER A 49 3.060 6.647 6.840 1.00 31.22 N ATOM 753 CA SER A 49 3.783 5.375 6.687 1.00 52.02 C ATOM 754 C SER A 49 3.323 4.337 7.728 1.00 65.34 C ATOM 755 O SER A 49 3.757 4.356 8.886 1.00 5.41 O ATOM 756 CB SER A 49 5.302 5.605 6.788 1.00 21.43 C ATOM 757 OG SER A 49 5.657 6.260 7.999 1.00 5.23 O ATOM 0 H SER A 49 3.538 7.333 7.424 1.00 31.22 H new ATOM 0 HA SER A 49 3.553 4.977 5.699 1.00 52.02 H new ATOM 0 HB2 SER A 49 5.820 4.648 6.727 1.00 21.43 H new ATOM 0 HB3 SER A 49 5.636 6.202 5.940 1.00 21.43 H new ATOM 0 HG SER A 49 5.153 5.868 8.743 1.00 5.23 H new ATOM 763 N LEU A 50 2.437 3.434 7.305 1.00 71.13 N ATOM 764 CA LEU A 50 1.852 2.418 8.195 1.00 14.54 C ATOM 765 C LEU A 50 2.810 1.239 8.463 1.00 42.55 C ATOM 766 O LEU A 50 3.708 0.949 7.668 1.00 63.42 O ATOM 767 CB LEU A 50 0.511 1.916 7.616 1.00 4.30 C ATOM 768 CG LEU A 50 0.485 1.604 6.101 1.00 14.35 C ATOM 769 CD1 LEU A 50 1.317 0.366 5.765 1.00 40.31 C ATOM 770 CD2 LEU A 50 -0.951 1.428 5.612 1.00 40.33 C ATOM 0 H LEU A 50 2.103 3.382 6.343 1.00 71.13 H new ATOM 0 HA LEU A 50 1.672 2.895 9.158 1.00 14.54 H new ATOM 0 HB2 LEU A 50 0.224 1.013 8.155 1.00 4.30 H new ATOM 0 HB3 LEU A 50 -0.252 2.667 7.823 1.00 4.30 H new ATOM 0 HG LEU A 50 0.931 2.454 5.585 1.00 14.35 H new ATOM 0 HD11 LEU A 50 1.274 0.179 4.692 1.00 40.31 H new ATOM 0 HD12 LEU A 50 2.352 0.531 6.063 1.00 40.31 H new ATOM 0 HD13 LEU A 50 0.919 -0.496 6.300 1.00 40.31 H new ATOM 0 HD21 LEU A 50 -0.948 1.209 4.544 1.00 40.33 H new ATOM 0 HD22 LEU A 50 -1.420 0.604 6.150 1.00 40.33 H new ATOM 0 HD23 LEU A 50 -1.512 2.345 5.793 1.00 40.33 H new ATOM 782 N HIS A 51 2.602 0.559 9.590 1.00 72.22 N ATOM 783 CA HIS A 51 3.442 -0.583 9.989 1.00 3.14 C ATOM 784 C HIS A 51 2.814 -1.929 9.592 1.00 74.03 C ATOM 785 O HIS A 51 3.443 -2.975 9.737 1.00 23.01 O ATOM 786 CB HIS A 51 3.678 -0.555 11.505 1.00 70.31 C ATOM 787 CG HIS A 51 4.308 0.714 11.990 1.00 41.42 C ATOM 788 ND1 HIS A 51 3.588 1.736 12.563 1.00 32.12 N ATOM 789 CD2 HIS A 51 5.597 1.130 11.977 1.00 62.13 C ATOM 790 CE1 HIS A 51 4.396 2.723 12.880 1.00 10.02 C ATOM 791 NE2 HIS A 51 5.622 2.384 12.537 1.00 13.24 N ATOM 0 H HIS A 51 1.856 0.777 10.250 1.00 72.22 H new ATOM 0 HA HIS A 51 4.391 -0.489 9.461 1.00 3.14 H new ATOM 0 HB2 HIS A 51 2.725 -0.696 12.015 1.00 70.31 H new ATOM 0 HB3 HIS A 51 4.315 -1.396 11.781 1.00 70.31 H new ATOM 0 HD2 HIS A 51 6.445 0.579 11.598 1.00 62.13 H new ATOM 0 HE1 HIS A 51 4.104 3.654 13.343 1.00 10.02 H new ATOM 0 HE2 HIS A 51 6.454 2.959 12.666 1.00 13.24 H new ATOM 800 N GLU A 52 1.577 -1.900 9.096 1.00 10.25 N ATOM 801 CA GLU A 52 0.873 -3.131 8.706 1.00 21.15 C ATOM 802 C GLU A 52 -0.136 -2.861 7.574 1.00 52.41 C ATOM 803 O GLU A 52 -0.864 -1.865 7.601 1.00 64.43 O ATOM 804 CB GLU A 52 0.166 -3.744 9.930 1.00 15.54 C ATOM 805 CG GLU A 52 -0.511 -5.085 9.653 1.00 64.23 C ATOM 806 CD GLU A 52 -1.076 -5.731 10.913 1.00 24.33 C ATOM 807 OE1 GLU A 52 -2.186 -5.355 11.342 1.00 72.43 O ATOM 808 OE2 GLU A 52 -0.405 -6.619 11.488 1.00 32.33 O ATOM 0 H GLU A 52 1.040 -1.044 8.954 1.00 10.25 H new ATOM 0 HA GLU A 52 1.608 -3.842 8.330 1.00 21.15 H new ATOM 0 HB2 GLU A 52 0.895 -3.876 10.729 1.00 15.54 H new ATOM 0 HB3 GLU A 52 -0.582 -3.040 10.294 1.00 15.54 H new ATOM 0 HG2 GLU A 52 -1.316 -4.939 8.933 1.00 64.23 H new ATOM 0 HG3 GLU A 52 0.209 -5.763 9.194 1.00 64.23 H new ATOM 815 N ALA A 53 -0.168 -3.750 6.579 1.00 53.13 N ATOM 816 CA ALA A 53 -1.045 -3.580 5.411 1.00 73.25 C ATOM 817 C ALA A 53 -1.453 -4.930 4.794 1.00 43.32 C ATOM 818 O ALA A 53 -0.859 -5.970 5.093 1.00 54.55 O ATOM 819 CB ALA A 53 -0.357 -2.708 4.362 1.00 10.23 C ATOM 0 H ALA A 53 0.402 -4.596 6.556 1.00 53.13 H new ATOM 0 HA ALA A 53 -1.956 -3.088 5.753 1.00 73.25 H new ATOM 0 HB1 ALA A 53 -1.014 -2.588 3.501 1.00 10.23 H new ATOM 0 HB2 ALA A 53 -0.137 -1.730 4.790 1.00 10.23 H new ATOM 0 HB3 ALA A 53 0.572 -3.183 4.046 1.00 10.23 H new ATOM 825 N LEU A 54 -2.471 -4.899 3.934 1.00 13.33 N ATOM 826 CA LEU A 54 -2.961 -6.103 3.247 1.00 43.10 C ATOM 827 C LEU A 54 -2.420 -6.199 1.816 1.00 63.13 C ATOM 828 O LEU A 54 -2.126 -5.190 1.177 1.00 23.31 O ATOM 829 CB LEU A 54 -4.496 -6.109 3.201 1.00 13.12 C ATOM 830 CG LEU A 54 -5.203 -6.285 4.554 1.00 1.43 C ATOM 831 CD1 LEU A 54 -6.712 -6.125 4.391 1.00 71.03 C ATOM 832 CD2 LEU A 54 -4.865 -7.644 5.165 1.00 61.31 C ATOM 0 H LEU A 54 -2.979 -4.048 3.692 1.00 13.33 H new ATOM 0 HA LEU A 54 -2.603 -6.962 3.814 1.00 43.10 H new ATOM 0 HB2 LEU A 54 -4.831 -5.172 2.756 1.00 13.12 H new ATOM 0 HB3 LEU A 54 -4.818 -6.911 2.537 1.00 13.12 H new ATOM 0 HG LEU A 54 -4.847 -5.510 5.233 1.00 1.43 H new ATOM 0 HD11 LEU A 54 -7.198 -6.253 5.358 1.00 71.03 H new ATOM 0 HD12 LEU A 54 -6.933 -5.131 4.002 1.00 71.03 H new ATOM 0 HD13 LEU A 54 -7.085 -6.877 3.696 1.00 71.03 H new ATOM 0 HD21 LEU A 54 -5.375 -7.749 6.122 1.00 61.31 H new ATOM 0 HD22 LEU A 54 -5.190 -8.437 4.491 1.00 61.31 H new ATOM 0 HD23 LEU A 54 -3.788 -7.717 5.318 1.00 61.31 H new ATOM 844 N ILE A 55 -2.309 -7.427 1.320 1.00 14.24 N ATOM 845 CA ILE A 55 -1.903 -7.688 -0.061 1.00 4.33 C ATOM 846 C ILE A 55 -2.761 -8.806 -0.669 1.00 70.10 C ATOM 847 O ILE A 55 -2.999 -9.838 -0.030 1.00 12.34 O ATOM 848 CB ILE A 55 -0.403 -8.089 -0.142 1.00 31.30 C ATOM 849 CG1 ILE A 55 0.046 -8.268 -1.602 1.00 1.55 C ATOM 850 CG2 ILE A 55 -0.131 -9.362 0.662 1.00 70.21 C ATOM 851 CD1 ILE A 55 -0.017 -7.000 -2.428 1.00 61.40 C ATOM 0 H ILE A 55 -2.497 -8.270 1.862 1.00 14.24 H new ATOM 0 HA ILE A 55 -2.049 -6.767 -0.626 1.00 4.33 H new ATOM 0 HB ILE A 55 0.179 -7.277 0.295 1.00 31.30 H new ATOM 0 HG12 ILE A 55 1.068 -8.645 -1.613 1.00 1.55 H new ATOM 0 HG13 ILE A 55 -0.579 -9.027 -2.073 1.00 1.55 H new ATOM 0 HG21 ILE A 55 0.925 -9.620 0.588 1.00 70.21 H new ATOM 0 HG22 ILE A 55 -0.392 -9.195 1.707 1.00 70.21 H new ATOM 0 HG23 ILE A 55 -0.733 -10.179 0.264 1.00 70.21 H new ATOM 0 HD11 ILE A 55 0.316 -7.211 -3.444 1.00 61.40 H new ATOM 0 HD12 ILE A 55 -1.042 -6.631 -2.451 1.00 61.40 H new ATOM 0 HD13 ILE A 55 0.631 -6.244 -1.984 1.00 61.40 H new ATOM 863 N THR A 56 -3.243 -8.597 -1.893 1.00 10.32 N ATOM 864 CA THR A 56 -4.005 -9.637 -2.597 1.00 11.34 C ATOM 865 C THR A 56 -3.115 -10.844 -2.908 1.00 24.30 C ATOM 866 O THR A 56 -1.893 -10.718 -2.996 1.00 61.14 O ATOM 867 CB THR A 56 -4.630 -9.125 -3.923 1.00 73.04 C ATOM 868 OG1 THR A 56 -3.609 -8.763 -4.870 1.00 4.02 O ATOM 869 CG2 THR A 56 -5.539 -7.928 -3.669 1.00 12.50 C ATOM 0 H THR A 56 -3.124 -7.729 -2.416 1.00 10.32 H new ATOM 0 HA THR A 56 -4.814 -9.927 -1.927 1.00 11.34 H new ATOM 0 HB THR A 56 -5.223 -9.939 -4.340 1.00 73.04 H new ATOM 0 HG1 THR A 56 -4.028 -8.445 -5.697 1.00 4.02 H new ATOM 0 HG21 THR A 56 -5.965 -7.588 -4.613 1.00 12.50 H new ATOM 0 HG22 THR A 56 -6.343 -8.219 -2.992 1.00 12.50 H new ATOM 0 HG23 THR A 56 -4.961 -7.121 -3.220 1.00 12.50 H new ATOM 877 N ARG A 57 -3.723 -12.011 -3.082 1.00 64.10 N ATOM 878 CA ARG A 57 -2.966 -13.226 -3.415 1.00 25.21 C ATOM 879 C ARG A 57 -2.290 -13.099 -4.792 1.00 23.23 C ATOM 880 O ARG A 57 -1.370 -13.846 -5.123 1.00 2.55 O ATOM 881 CB ARG A 57 -3.883 -14.455 -3.372 1.00 11.40 C ATOM 882 CG ARG A 57 -4.556 -14.694 -2.014 1.00 1.25 C ATOM 883 CD ARG A 57 -3.553 -15.031 -0.905 1.00 54.32 C ATOM 884 NE ARG A 57 -2.665 -13.913 -0.580 1.00 50.42 N ATOM 885 CZ ARG A 57 -1.382 -14.037 -0.353 1.00 34.22 C ATOM 886 NH1 ARG A 57 -0.804 -15.197 -0.414 1.00 74.31 N ATOM 887 NH2 ARG A 57 -0.668 -12.991 -0.078 1.00 45.32 N ATOM 0 H ARG A 57 -4.730 -12.149 -3.000 1.00 64.10 H new ATOM 0 HA ARG A 57 -2.181 -13.352 -2.669 1.00 25.21 H new ATOM 0 HB2 ARG A 57 -4.656 -14.344 -4.133 1.00 11.40 H new ATOM 0 HB3 ARG A 57 -3.301 -15.338 -3.636 1.00 11.40 H new ATOM 0 HG2 ARG A 57 -5.118 -13.804 -1.731 1.00 1.25 H new ATOM 0 HG3 ARG A 57 -5.274 -15.509 -2.108 1.00 1.25 H new ATOM 0 HD2 ARG A 57 -4.097 -15.329 -0.009 1.00 54.32 H new ATOM 0 HD3 ARG A 57 -2.953 -15.887 -1.213 1.00 54.32 H new ATOM 0 HE ARG A 57 -3.072 -12.979 -0.527 1.00 50.42 H new ATOM 0 HH11 ARG A 57 -1.350 -16.028 -0.641 1.00 74.31 H new ATOM 0 HH12 ARG A 57 0.197 -15.278 -0.235 1.00 74.31 H new ATOM 0 HH21 ARG A 57 -1.106 -12.071 -0.038 1.00 45.32 H new ATOM 0 HH22 ARG A 57 0.332 -13.088 0.099 1.00 45.32 H new ATOM 901 N ASP A 58 -2.762 -12.142 -5.591 1.00 72.02 N ATOM 902 CA ASP A 58 -2.162 -11.841 -6.895 1.00 0.14 C ATOM 903 C ASP A 58 -1.005 -10.833 -6.765 1.00 31.44 C ATOM 904 O ASP A 58 -0.277 -10.585 -7.727 1.00 34.42 O ATOM 905 CB ASP A 58 -3.239 -11.276 -7.826 1.00 4.12 C ATOM 906 CG ASP A 58 -4.451 -12.182 -7.912 1.00 20.53 C ATOM 907 OD1 ASP A 58 -5.233 -12.224 -6.935 1.00 24.12 O ATOM 908 OD2 ASP A 58 -4.634 -12.852 -8.947 1.00 30.44 O ATOM 0 H ASP A 58 -3.564 -11.557 -5.357 1.00 72.02 H new ATOM 0 HA ASP A 58 -1.755 -12.764 -7.308 1.00 0.14 H new ATOM 0 HB2 ASP A 58 -3.546 -10.293 -7.469 1.00 4.12 H new ATOM 0 HB3 ASP A 58 -2.820 -11.137 -8.822 1.00 4.12 H new ATOM 913 N ARG A 59 -0.849 -10.260 -5.569 1.00 35.50 N ATOM 914 CA ARG A 59 0.200 -9.265 -5.280 1.00 33.10 C ATOM 915 C ARG A 59 0.062 -7.998 -6.147 1.00 31.22 C ATOM 916 O ARG A 59 1.056 -7.346 -6.469 1.00 31.14 O ATOM 917 CB ARG A 59 1.605 -9.872 -5.465 1.00 12.24 C ATOM 918 CG ARG A 59 1.875 -11.111 -4.614 1.00 73.52 C ATOM 919 CD ARG A 59 3.338 -11.548 -4.708 1.00 72.12 C ATOM 920 NE ARG A 59 3.560 -12.855 -4.094 1.00 3.25 N ATOM 921 CZ ARG A 59 4.284 -13.060 -3.025 1.00 54.32 C ATOM 922 NH1 ARG A 59 4.875 -12.081 -2.417 1.00 53.01 N ATOM 923 NH2 ARG A 59 4.437 -14.256 -2.575 1.00 13.23 N ATOM 0 H ARG A 59 -1.445 -10.470 -4.769 1.00 35.50 H new ATOM 0 HA ARG A 59 0.069 -8.973 -4.238 1.00 33.10 H new ATOM 0 HB2 ARG A 59 1.740 -10.131 -6.515 1.00 12.24 H new ATOM 0 HB3 ARG A 59 2.350 -9.113 -5.226 1.00 12.24 H new ATOM 0 HG2 ARG A 59 1.623 -10.902 -3.574 1.00 73.52 H new ATOM 0 HG3 ARG A 59 1.229 -11.926 -4.941 1.00 73.52 H new ATOM 0 HD2 ARG A 59 3.639 -11.584 -5.755 1.00 72.12 H new ATOM 0 HD3 ARG A 59 3.970 -10.806 -4.220 1.00 72.12 H new ATOM 0 HE ARG A 59 3.119 -13.665 -4.530 1.00 3.25 H new ATOM 0 HH11 ARG A 59 4.780 -11.129 -2.771 1.00 53.01 H new ATOM 0 HH12 ARG A 59 5.436 -12.262 -1.584 1.00 53.01 H new ATOM 0 HH21 ARG A 59 3.994 -15.041 -3.052 1.00 13.23 H new ATOM 0 HH22 ARG A 59 5.001 -14.419 -1.741 1.00 13.23 H new ATOM 937 N LYS A 60 -1.173 -7.625 -6.493 1.00 10.42 N ATOM 938 CA LYS A 60 -1.407 -6.469 -7.378 1.00 72.41 C ATOM 939 C LYS A 60 -2.132 -5.307 -6.680 1.00 32.15 C ATOM 940 O LYS A 60 -2.143 -4.184 -7.191 1.00 53.41 O ATOM 941 CB LYS A 60 -2.189 -6.900 -8.625 1.00 33.31 C ATOM 942 CG LYS A 60 -1.431 -7.887 -9.510 1.00 43.01 C ATOM 943 CD LYS A 60 -2.175 -8.178 -10.809 1.00 41.23 C ATOM 944 CE LYS A 60 -2.378 -6.910 -11.637 1.00 41.54 C ATOM 945 NZ LYS A 60 -1.088 -6.258 -12.002 1.00 71.42 N ATOM 0 H LYS A 60 -2.021 -8.097 -6.180 1.00 10.42 H new ATOM 0 HA LYS A 60 -0.423 -6.099 -7.666 1.00 72.41 H new ATOM 0 HB2 LYS A 60 -3.131 -7.352 -8.315 1.00 33.31 H new ATOM 0 HB3 LYS A 60 -2.438 -6.016 -9.212 1.00 33.31 H new ATOM 0 HG2 LYS A 60 -0.445 -7.484 -9.740 1.00 43.01 H new ATOM 0 HG3 LYS A 60 -1.276 -8.818 -8.965 1.00 43.01 H new ATOM 0 HD2 LYS A 60 -1.616 -8.909 -11.393 1.00 41.23 H new ATOM 0 HD3 LYS A 60 -3.143 -8.624 -10.582 1.00 41.23 H new ATOM 0 HE2 LYS A 60 -2.927 -7.157 -12.546 1.00 41.54 H new ATOM 0 HE3 LYS A 60 -2.992 -6.206 -11.075 1.00 41.54 H new ATOM 0 HZ1 LYS A 60 -1.264 -5.506 -12.698 1.00 71.42 H new ATOM 0 HZ2 LYS A 60 -0.654 -5.847 -11.151 1.00 71.42 H new ATOM 0 HZ3 LYS A 60 -0.445 -6.965 -12.412 1.00 71.42 H new ATOM 959 N GLN A 61 -2.741 -5.562 -5.522 1.00 63.43 N ATOM 960 CA GLN A 61 -3.442 -4.502 -4.777 1.00 33.02 C ATOM 961 C GLN A 61 -3.071 -4.520 -3.288 1.00 72.14 C ATOM 962 O GLN A 61 -3.056 -5.580 -2.655 1.00 25.23 O ATOM 963 CB GLN A 61 -4.964 -4.648 -4.927 1.00 12.02 C ATOM 964 CG GLN A 61 -5.470 -4.521 -6.362 1.00 60.31 C ATOM 965 CD GLN A 61 -6.988 -4.589 -6.460 1.00 31.10 C ATOM 966 OE1 GLN A 61 -7.648 -5.235 -5.654 1.00 10.02 O ATOM 967 NE2 GLN A 61 -7.551 -3.928 -7.450 1.00 61.20 N ATOM 0 H GLN A 61 -2.767 -6.480 -5.079 1.00 63.43 H new ATOM 0 HA GLN A 61 -3.127 -3.548 -5.200 1.00 33.02 H new ATOM 0 HB2 GLN A 61 -5.264 -5.619 -4.533 1.00 12.02 H new ATOM 0 HB3 GLN A 61 -5.452 -3.890 -4.314 1.00 12.02 H new ATOM 0 HG2 GLN A 61 -5.125 -3.576 -6.782 1.00 60.31 H new ATOM 0 HG3 GLN A 61 -5.035 -5.316 -6.968 1.00 60.31 H new ATOM 0 HE21 GLN A 61 -6.973 -3.400 -8.104 1.00 61.20 H new ATOM 0 HE22 GLN A 61 -8.565 -3.944 -7.563 1.00 61.20 H new ATOM 976 N VAL A 62 -2.772 -3.343 -2.737 1.00 74.44 N ATOM 977 CA VAL A 62 -2.454 -3.205 -1.310 1.00 22.21 C ATOM 978 C VAL A 62 -3.545 -2.405 -0.575 1.00 21.32 C ATOM 979 O VAL A 62 -4.054 -1.417 -1.099 1.00 12.11 O ATOM 980 CB VAL A 62 -1.082 -2.504 -1.110 1.00 2.25 C ATOM 981 CG1 VAL A 62 -0.749 -2.345 0.373 1.00 61.01 C ATOM 982 CG2 VAL A 62 0.026 -3.271 -1.828 1.00 63.35 C ATOM 0 H VAL A 62 -2.743 -2.466 -3.258 1.00 74.44 H new ATOM 0 HA VAL A 62 -2.406 -4.210 -0.891 1.00 22.21 H new ATOM 0 HB VAL A 62 -1.153 -1.507 -1.546 1.00 2.25 H new ATOM 0 HG11 VAL A 62 0.217 -1.851 0.478 1.00 61.01 H new ATOM 0 HG12 VAL A 62 -1.519 -1.743 0.856 1.00 61.01 H new ATOM 0 HG13 VAL A 62 -0.708 -3.327 0.844 1.00 61.01 H new ATOM 0 HG21 VAL A 62 0.978 -2.763 -1.675 1.00 63.35 H new ATOM 0 HG22 VAL A 62 0.086 -4.283 -1.428 1.00 63.35 H new ATOM 0 HG23 VAL A 62 -0.194 -3.315 -2.895 1.00 63.35 H new ATOM 992 N PHE A 63 -3.910 -2.842 0.632 1.00 75.01 N ATOM 993 CA PHE A 63 -4.924 -2.140 1.437 1.00 23.20 C ATOM 994 C PHE A 63 -4.375 -1.711 2.808 1.00 13.32 C ATOM 995 O PHE A 63 -3.421 -2.291 3.325 1.00 71.14 O ATOM 996 CB PHE A 63 -6.177 -3.012 1.614 1.00 71.22 C ATOM 997 CG PHE A 63 -7.028 -3.115 0.369 1.00 72.53 C ATOM 998 CD1 PHE A 63 -6.709 -4.010 -0.643 1.00 33.20 C ATOM 999 CD2 PHE A 63 -8.145 -2.303 0.209 1.00 42.51 C ATOM 1000 CE1 PHE A 63 -7.488 -4.098 -1.783 1.00 21.01 C ATOM 1001 CE2 PHE A 63 -8.927 -2.388 -0.929 1.00 64.42 C ATOM 1002 CZ PHE A 63 -8.595 -3.284 -1.926 1.00 1.31 C ATOM 0 H PHE A 63 -3.523 -3.675 1.076 1.00 75.01 H new ATOM 0 HA PHE A 63 -5.196 -1.235 0.893 1.00 23.20 H new ATOM 0 HB2 PHE A 63 -5.872 -4.013 1.918 1.00 71.22 H new ATOM 0 HB3 PHE A 63 -6.782 -2.603 2.424 1.00 71.22 H new ATOM 0 HD1 PHE A 63 -5.842 -4.646 -0.539 1.00 33.20 H new ATOM 0 HD2 PHE A 63 -8.406 -1.597 0.983 1.00 42.51 H new ATOM 0 HE1 PHE A 63 -7.231 -4.802 -2.560 1.00 21.01 H new ATOM 0 HE2 PHE A 63 -9.795 -1.755 -1.037 1.00 64.42 H new ATOM 0 HZ PHE A 63 -9.201 -3.348 -2.818 1.00 1.31 H new ATOM 1012 N ARG A 64 -5.004 -0.696 3.393 1.00 75.14 N ATOM 1013 CA ARG A 64 -4.541 -0.098 4.653 1.00 60.44 C ATOM 1014 C ARG A 64 -5.100 -0.824 5.894 1.00 31.21 C ATOM 1015 O ARG A 64 -6.267 -1.207 5.936 1.00 22.51 O ATOM 1016 CB ARG A 64 -4.940 1.391 4.681 1.00 44.43 C ATOM 1017 CG ARG A 64 -4.741 2.088 6.026 1.00 4.52 C ATOM 1018 CD ARG A 64 -5.003 3.590 5.920 1.00 40.24 C ATOM 1019 NE ARG A 64 -5.131 4.227 7.231 1.00 62.35 N ATOM 1020 CZ ARG A 64 -4.759 5.452 7.494 1.00 31.21 C ATOM 1021 NH1 ARG A 64 -4.171 6.177 6.597 1.00 60.35 N ATOM 1022 NH2 ARG A 64 -4.985 5.953 8.660 1.00 32.12 N ATOM 0 H ARG A 64 -5.846 -0.262 3.014 1.00 75.14 H new ATOM 0 HA ARG A 64 -3.457 -0.200 4.693 1.00 60.44 H new ATOM 0 HB2 ARG A 64 -4.361 1.921 3.925 1.00 44.43 H new ATOM 0 HB3 ARG A 64 -5.989 1.476 4.397 1.00 44.43 H new ATOM 0 HG2 ARG A 64 -5.411 1.652 6.766 1.00 4.52 H new ATOM 0 HG3 ARG A 64 -3.723 1.919 6.378 1.00 4.52 H new ATOM 0 HD2 ARG A 64 -4.189 4.060 5.368 1.00 40.24 H new ATOM 0 HD3 ARG A 64 -5.915 3.758 5.347 1.00 40.24 H new ATOM 0 HE ARG A 64 -5.537 3.679 7.989 1.00 62.35 H new ATOM 0 HH11 ARG A 64 -3.992 5.794 5.669 1.00 60.35 H new ATOM 0 HH12 ARG A 64 -3.887 7.131 6.818 1.00 60.35 H new ATOM 0 HH21 ARG A 64 -5.453 5.394 9.373 1.00 32.12 H new ATOM 0 HH22 ARG A 64 -4.696 6.909 8.869 1.00 32.12 H new ATOM 1036 N ILE A 65 -4.246 -1.010 6.902 1.00 31.41 N ATOM 1037 CA ILE A 65 -4.674 -1.561 8.197 1.00 13.24 C ATOM 1038 C ILE A 65 -4.358 -0.580 9.336 1.00 1.14 C ATOM 1039 O ILE A 65 -3.267 -0.010 9.399 1.00 61.52 O ATOM 1040 CB ILE A 65 -3.986 -2.919 8.514 1.00 31.12 C ATOM 1041 CG1 ILE A 65 -4.342 -3.973 7.455 1.00 5.34 C ATOM 1042 CG2 ILE A 65 -4.379 -3.411 9.913 1.00 23.35 C ATOM 1043 CD1 ILE A 65 -3.726 -5.333 7.720 1.00 55.11 C ATOM 0 H ILE A 65 -3.252 -0.788 6.850 1.00 31.41 H new ATOM 0 HA ILE A 65 -5.750 -1.721 8.123 1.00 13.24 H new ATOM 0 HB ILE A 65 -2.907 -2.764 8.492 1.00 31.12 H new ATOM 0 HG12 ILE A 65 -5.426 -4.077 7.409 1.00 5.34 H new ATOM 0 HG13 ILE A 65 -4.014 -3.619 6.478 1.00 5.34 H new ATOM 0 HG21 ILE A 65 -3.887 -4.362 10.116 1.00 23.35 H new ATOM 0 HG22 ILE A 65 -4.070 -2.677 10.657 1.00 23.35 H new ATOM 0 HG23 ILE A 65 -5.460 -3.544 9.962 1.00 23.35 H new ATOM 0 HD11 ILE A 65 -4.021 -6.026 6.932 1.00 55.11 H new ATOM 0 HD12 ILE A 65 -2.640 -5.243 7.737 1.00 55.11 H new ATOM 0 HD13 ILE A 65 -4.074 -5.709 8.682 1.00 55.11 H new ATOM 1055 N GLU A 66 -5.318 -0.384 10.234 1.00 22.24 N ATOM 1056 CA GLU A 66 -5.108 0.465 11.411 1.00 70.41 C ATOM 1057 C GLU A 66 -5.998 0.018 12.574 1.00 71.31 C ATOM 1058 O GLU A 66 -7.030 -0.620 12.361 1.00 72.21 O ATOM 1059 CB GLU A 66 -5.389 1.935 11.081 1.00 63.20 C ATOM 1060 CG GLU A 66 -6.845 2.231 10.746 1.00 21.51 C ATOM 1061 CD GLU A 66 -7.115 3.719 10.620 1.00 54.42 C ATOM 1062 OE1 GLU A 66 -6.931 4.270 9.517 1.00 12.32 O ATOM 1063 OE2 GLU A 66 -7.503 4.347 11.630 1.00 53.45 O ATOM 0 H GLU A 66 -6.248 -0.798 10.173 1.00 22.24 H new ATOM 0 HA GLU A 66 -4.064 0.364 11.708 1.00 70.41 H new ATOM 0 HB2 GLU A 66 -5.091 2.550 11.930 1.00 63.20 H new ATOM 0 HB3 GLU A 66 -4.766 2.232 10.238 1.00 63.20 H new ATOM 0 HG2 GLU A 66 -7.109 1.736 9.812 1.00 21.51 H new ATOM 0 HG3 GLU A 66 -7.487 1.812 11.521 1.00 21.51 H new ATOM 1070 N ASP A 67 -5.592 0.340 13.803 1.00 30.43 N ATOM 1071 CA ASP A 67 -6.361 -0.027 14.999 1.00 32.12 C ATOM 1072 C ASP A 67 -6.501 -1.563 15.105 1.00 33.45 C ATOM 1073 O ASP A 67 -7.411 -2.080 15.753 1.00 50.44 O ATOM 1074 CB ASP A 67 -7.741 0.661 14.954 1.00 4.42 C ATOM 1075 CG ASP A 67 -8.480 0.595 16.279 1.00 62.43 C ATOM 1076 OD1 ASP A 67 -7.948 1.113 17.280 1.00 44.45 O ATOM 1077 OD2 ASP A 67 -9.590 0.023 16.328 1.00 25.25 O ATOM 0 H ASP A 67 -4.734 0.855 13.999 1.00 30.43 H new ATOM 0 HA ASP A 67 -5.831 0.315 15.888 1.00 32.12 H new ATOM 0 HB2 ASP A 67 -7.611 1.705 14.668 1.00 4.42 H new ATOM 0 HB3 ASP A 67 -8.350 0.192 14.181 1.00 4.42 H new ATOM 1082 N SER A 68 -5.565 -2.279 14.466 1.00 51.22 N ATOM 1083 CA SER A 68 -5.574 -3.754 14.392 1.00 41.33 C ATOM 1084 C SER A 68 -6.756 -4.269 13.548 1.00 2.43 C ATOM 1085 O SER A 68 -7.094 -5.454 13.574 1.00 24.53 O ATOM 1086 CB SER A 68 -5.607 -4.372 15.803 1.00 42.01 C ATOM 1087 OG SER A 68 -5.470 -5.785 15.756 1.00 52.24 O ATOM 0 H SER A 68 -4.775 -1.853 13.982 1.00 51.22 H new ATOM 0 HA SER A 68 -4.652 -4.064 13.899 1.00 41.33 H new ATOM 0 HB2 SER A 68 -4.804 -3.948 16.406 1.00 42.01 H new ATOM 0 HB3 SER A 68 -6.545 -4.113 16.293 1.00 42.01 H new ATOM 0 HG SER A 68 -5.980 -6.138 14.997 1.00 52.24 H new ATOM 1093 N ILE A 69 -7.370 -3.365 12.787 1.00 64.03 N ATOM 1094 CA ILE A 69 -8.510 -3.696 11.922 1.00 64.23 C ATOM 1095 C ILE A 69 -8.133 -3.592 10.431 1.00 23.01 C ATOM 1096 O ILE A 69 -7.651 -2.550 9.974 1.00 61.05 O ATOM 1097 CB ILE A 69 -9.714 -2.753 12.202 1.00 60.13 C ATOM 1098 CG1 ILE A 69 -10.156 -2.859 13.673 1.00 14.30 C ATOM 1099 CG2 ILE A 69 -10.885 -3.058 11.263 1.00 64.20 C ATOM 1100 CD1 ILE A 69 -10.625 -4.243 14.083 1.00 21.21 C ATOM 0 H ILE A 69 -7.095 -2.383 12.750 1.00 64.03 H new ATOM 0 HA ILE A 69 -8.792 -4.724 12.149 1.00 64.23 H new ATOM 0 HB ILE A 69 -9.390 -1.730 12.012 1.00 60.13 H new ATOM 0 HG12 ILE A 69 -9.324 -2.565 14.313 1.00 14.30 H new ATOM 0 HG13 ILE A 69 -10.962 -2.147 13.851 1.00 14.30 H new ATOM 0 HG21 ILE A 69 -11.712 -2.383 11.482 1.00 64.20 H new ATOM 0 HG22 ILE A 69 -10.568 -2.920 10.229 1.00 64.20 H new ATOM 0 HG23 ILE A 69 -11.209 -4.088 11.408 1.00 64.20 H new ATOM 0 HD11 ILE A 69 -10.918 -4.232 15.133 1.00 21.21 H new ATOM 0 HD12 ILE A 69 -11.479 -4.534 13.471 1.00 21.21 H new ATOM 0 HD13 ILE A 69 -9.815 -4.959 13.940 1.00 21.21 H new ATOM 1112 N PRO A 70 -8.340 -4.674 9.654 1.00 53.23 N ATOM 1113 CA PRO A 70 -8.128 -4.646 8.199 1.00 73.32 C ATOM 1114 C PRO A 70 -9.198 -3.805 7.477 1.00 33.41 C ATOM 1115 O PRO A 70 -10.363 -4.207 7.378 1.00 12.44 O ATOM 1116 CB PRO A 70 -8.221 -6.127 7.799 1.00 42.12 C ATOM 1117 CG PRO A 70 -9.077 -6.751 8.849 1.00 2.21 C ATOM 1118 CD PRO A 70 -8.776 -6.005 10.126 1.00 63.32 C ATOM 0 HA PRO A 70 -7.179 -4.185 7.924 1.00 73.32 H new ATOM 0 HB2 PRO A 70 -8.662 -6.243 6.809 1.00 42.12 H new ATOM 0 HB3 PRO A 70 -7.235 -6.590 7.765 1.00 42.12 H new ATOM 0 HG2 PRO A 70 -10.133 -6.672 8.590 1.00 2.21 H new ATOM 0 HG3 PRO A 70 -8.854 -7.813 8.955 1.00 2.21 H new ATOM 0 HD2 PRO A 70 -9.655 -5.935 10.767 1.00 63.32 H new ATOM 0 HD3 PRO A 70 -7.997 -6.500 10.706 1.00 63.32 H new ATOM 1126 N VAL A 71 -8.805 -2.628 6.990 1.00 25.04 N ATOM 1127 CA VAL A 71 -9.751 -1.708 6.352 1.00 4.35 C ATOM 1128 C VAL A 71 -10.005 -2.101 4.886 1.00 5.11 C ATOM 1129 O VAL A 71 -9.172 -1.866 4.010 1.00 3.52 O ATOM 1130 CB VAL A 71 -9.253 -0.240 6.429 1.00 13.12 C ATOM 1131 CG1 VAL A 71 -10.351 0.733 6.000 1.00 22.13 C ATOM 1132 CG2 VAL A 71 -8.749 0.088 7.837 1.00 34.53 C ATOM 0 H VAL A 71 -7.844 -2.289 7.024 1.00 25.04 H new ATOM 0 HA VAL A 71 -10.690 -1.782 6.900 1.00 4.35 H new ATOM 0 HB VAL A 71 -8.419 -0.128 5.736 1.00 13.12 H new ATOM 0 HG11 VAL A 71 -9.977 1.755 6.063 1.00 22.13 H new ATOM 0 HG12 VAL A 71 -10.647 0.518 4.973 1.00 22.13 H new ATOM 0 HG13 VAL A 71 -11.213 0.621 6.657 1.00 22.13 H new ATOM 0 HG21 VAL A 71 -8.405 1.122 7.869 1.00 34.53 H new ATOM 0 HG22 VAL A 71 -9.559 -0.047 8.554 1.00 34.53 H new ATOM 0 HG23 VAL A 71 -7.924 -0.577 8.092 1.00 34.53 H new ATOM 1142 N LEU A 72 -11.166 -2.704 4.631 1.00 40.15 N ATOM 1143 CA LEU A 72 -11.506 -3.230 3.296 1.00 35.22 C ATOM 1144 C LEU A 72 -12.255 -2.194 2.433 1.00 53.41 C ATOM 1145 O LEU A 72 -12.940 -2.553 1.469 1.00 2.23 O ATOM 1146 CB LEU A 72 -12.365 -4.495 3.448 1.00 3.33 C ATOM 1147 CG LEU A 72 -11.766 -5.598 4.336 1.00 63.54 C ATOM 1148 CD1 LEU A 72 -12.708 -6.794 4.418 1.00 62.54 C ATOM 1149 CD2 LEU A 72 -10.390 -6.024 3.828 1.00 25.20 C ATOM 0 H LEU A 72 -11.895 -2.844 5.331 1.00 40.15 H new ATOM 0 HA LEU A 72 -10.572 -3.465 2.786 1.00 35.22 H new ATOM 0 HB2 LEU A 72 -13.334 -4.209 3.858 1.00 3.33 H new ATOM 0 HB3 LEU A 72 -12.548 -4.910 2.457 1.00 3.33 H new ATOM 0 HG LEU A 72 -11.641 -5.192 5.340 1.00 63.54 H new ATOM 0 HD11 LEU A 72 -12.265 -7.563 5.051 1.00 62.54 H new ATOM 0 HD12 LEU A 72 -13.661 -6.478 4.843 1.00 62.54 H new ATOM 0 HD13 LEU A 72 -12.872 -7.197 3.419 1.00 62.54 H new ATOM 0 HD21 LEU A 72 -9.989 -6.805 4.474 1.00 25.20 H new ATOM 0 HD22 LEU A 72 -10.480 -6.405 2.811 1.00 25.20 H new ATOM 0 HD23 LEU A 72 -9.718 -5.166 3.836 1.00 25.20 H new ATOM 1161 N LEU A 73 -12.106 -0.914 2.762 1.00 34.13 N ATOM 1162 CA LEU A 73 -12.815 0.155 2.050 1.00 40.12 C ATOM 1163 C LEU A 73 -12.156 0.460 0.685 1.00 72.31 C ATOM 1164 O LEU A 73 -10.931 0.500 0.575 1.00 50.32 O ATOM 1165 CB LEU A 73 -12.869 1.422 2.918 1.00 20.32 C ATOM 1166 CG LEU A 73 -13.529 1.254 4.301 1.00 64.21 C ATOM 1167 CD1 LEU A 73 -13.579 2.592 5.039 1.00 41.20 C ATOM 1168 CD2 LEU A 73 -14.929 0.650 4.170 1.00 51.33 C ATOM 0 H LEU A 73 -11.502 -0.588 3.516 1.00 34.13 H new ATOM 0 HA LEU A 73 -13.832 -0.186 1.855 1.00 40.12 H new ATOM 0 HB2 LEU A 73 -11.852 1.785 3.063 1.00 20.32 H new ATOM 0 HB3 LEU A 73 -13.408 2.194 2.369 1.00 20.32 H new ATOM 0 HG LEU A 73 -12.921 0.564 4.886 1.00 64.21 H new ATOM 0 HD11 LEU A 73 -14.048 2.453 6.013 1.00 41.20 H new ATOM 0 HD12 LEU A 73 -12.566 2.971 5.175 1.00 41.20 H new ATOM 0 HD13 LEU A 73 -14.159 3.308 4.456 1.00 41.20 H new ATOM 0 HD21 LEU A 73 -15.373 0.542 5.160 1.00 51.33 H new ATOM 0 HD22 LEU A 73 -15.553 1.306 3.562 1.00 51.33 H new ATOM 0 HD23 LEU A 73 -14.860 -0.328 3.694 1.00 51.33 H new ATOM 1180 N PRO A 74 -12.967 0.685 -0.373 1.00 10.42 N ATOM 1181 CA PRO A 74 -12.465 0.936 -1.741 1.00 75.42 C ATOM 1182 C PRO A 74 -11.468 2.109 -1.838 1.00 43.51 C ATOM 1183 O PRO A 74 -10.494 2.039 -2.591 1.00 52.04 O ATOM 1184 CB PRO A 74 -13.742 1.244 -2.551 1.00 10.54 C ATOM 1185 CG PRO A 74 -14.798 1.529 -1.532 1.00 15.53 C ATOM 1186 CD PRO A 74 -14.438 0.708 -0.326 1.00 55.32 C ATOM 0 HA PRO A 74 -11.900 0.079 -2.107 1.00 75.42 H new ATOM 0 HB2 PRO A 74 -13.592 2.098 -3.211 1.00 10.54 H new ATOM 0 HB3 PRO A 74 -14.021 0.399 -3.181 1.00 10.54 H new ATOM 0 HG2 PRO A 74 -14.828 2.591 -1.287 1.00 15.53 H new ATOM 0 HG3 PRO A 74 -15.786 1.260 -1.907 1.00 15.53 H new ATOM 0 HD2 PRO A 74 -14.806 1.160 0.595 1.00 55.32 H new ATOM 0 HD3 PRO A 74 -14.860 -0.296 -0.380 1.00 55.32 H new ATOM 1194 N GLU A 75 -11.702 3.177 -1.075 1.00 4.40 N ATOM 1195 CA GLU A 75 -10.831 4.363 -1.124 1.00 32.02 C ATOM 1196 C GLU A 75 -9.472 4.123 -0.433 1.00 22.34 C ATOM 1197 O GLU A 75 -8.582 4.978 -0.487 1.00 30.34 O ATOM 1198 CB GLU A 75 -11.523 5.602 -0.517 1.00 4.31 C ATOM 1199 CG GLU A 75 -12.105 5.402 0.886 1.00 42.30 C ATOM 1200 CD GLU A 75 -13.539 4.885 0.868 1.00 63.33 C ATOM 1201 OE1 GLU A 75 -13.735 3.656 0.864 1.00 44.01 O ATOM 1202 OE2 GLU A 75 -14.476 5.709 0.844 1.00 64.01 O ATOM 0 H GLU A 75 -12.480 3.250 -0.419 1.00 4.40 H new ATOM 0 HA GLU A 75 -10.639 4.554 -2.180 1.00 32.02 H new ATOM 0 HB2 GLU A 75 -10.803 6.419 -0.481 1.00 4.31 H new ATOM 0 HB3 GLU A 75 -12.326 5.914 -1.185 1.00 4.31 H new ATOM 0 HG2 GLU A 75 -11.479 4.700 1.437 1.00 42.30 H new ATOM 0 HG3 GLU A 75 -12.073 6.349 1.425 1.00 42.30 H new ATOM 1209 N GLU A 76 -9.314 2.962 0.206 1.00 44.33 N ATOM 1210 CA GLU A 76 -8.043 2.592 0.849 1.00 54.33 C ATOM 1211 C GLU A 76 -7.108 1.867 -0.132 1.00 63.35 C ATOM 1212 O GLU A 76 -5.947 1.597 0.186 1.00 52.24 O ATOM 1213 CB GLU A 76 -8.303 1.687 2.065 1.00 55.15 C ATOM 1214 CG GLU A 76 -9.303 2.259 3.060 1.00 44.34 C ATOM 1215 CD GLU A 76 -8.881 3.599 3.634 1.00 33.21 C ATOM 1216 OE1 GLU A 76 -7.787 3.686 4.231 1.00 74.23 O ATOM 1217 OE2 GLU A 76 -9.642 4.578 3.500 1.00 71.02 O ATOM 0 H GLU A 76 -10.048 2.259 0.294 1.00 44.33 H new ATOM 0 HA GLU A 76 -7.559 3.514 1.173 1.00 54.33 H new ATOM 0 HB2 GLU A 76 -8.667 0.721 1.715 1.00 55.15 H new ATOM 0 HB3 GLU A 76 -7.359 1.505 2.578 1.00 55.15 H new ATOM 0 HG2 GLU A 76 -10.270 2.370 2.569 1.00 44.34 H new ATOM 0 HG3 GLU A 76 -9.440 1.549 3.876 1.00 44.34 H new ATOM 1224 N ALA A 77 -7.626 1.551 -1.319 1.00 22.43 N ATOM 1225 CA ALA A 77 -6.878 0.783 -2.321 1.00 51.43 C ATOM 1226 C ALA A 77 -5.613 1.513 -2.810 1.00 23.10 C ATOM 1227 O ALA A 77 -5.674 2.657 -3.267 1.00 74.42 O ATOM 1228 CB ALA A 77 -7.783 0.450 -3.506 1.00 23.11 C ATOM 0 H ALA A 77 -8.566 1.816 -1.614 1.00 22.43 H new ATOM 0 HA ALA A 77 -6.547 -0.136 -1.837 1.00 51.43 H new ATOM 0 HB1 ALA A 77 -7.220 -0.120 -4.245 1.00 23.11 H new ATOM 0 HB2 ALA A 77 -8.631 -0.141 -3.161 1.00 23.11 H new ATOM 0 HB3 ALA A 77 -8.144 1.373 -3.959 1.00 23.11 H new ATOM 1234 N ILE A 78 -4.470 0.835 -2.706 1.00 25.41 N ATOM 1235 CA ILE A 78 -3.193 1.355 -3.206 1.00 32.14 C ATOM 1236 C ILE A 78 -2.745 0.593 -4.469 1.00 2.11 C ATOM 1237 O ILE A 78 -2.661 -0.644 -4.468 1.00 72.43 O ATOM 1238 CB ILE A 78 -2.081 1.248 -2.127 1.00 53.23 C ATOM 1239 CG1 ILE A 78 -2.498 1.993 -0.843 1.00 61.34 C ATOM 1240 CG2 ILE A 78 -0.753 1.789 -2.659 1.00 11.42 C ATOM 1241 CD1 ILE A 78 -2.755 3.477 -1.039 1.00 73.13 C ATOM 0 H ILE A 78 -4.401 -0.087 -2.275 1.00 25.41 H new ATOM 0 HA ILE A 78 -3.348 2.405 -3.454 1.00 32.14 H new ATOM 0 HB ILE A 78 -1.944 0.195 -1.883 1.00 53.23 H new ATOM 0 HG12 ILE A 78 -3.400 1.529 -0.444 1.00 61.34 H new ATOM 0 HG13 ILE A 78 -1.717 1.867 -0.093 1.00 61.34 H new ATOM 0 HG21 ILE A 78 0.011 1.704 -1.886 1.00 11.42 H new ATOM 0 HG22 ILE A 78 -0.450 1.213 -3.534 1.00 11.42 H new ATOM 0 HG23 ILE A 78 -0.872 2.836 -2.937 1.00 11.42 H new ATOM 0 HD11 ILE A 78 -3.043 3.925 -0.088 1.00 73.13 H new ATOM 0 HD12 ILE A 78 -1.849 3.958 -1.407 1.00 73.13 H new ATOM 0 HD13 ILE A 78 -3.558 3.615 -1.763 1.00 73.13 H new ATOM 1253 N ALA A 79 -2.450 1.335 -5.537 1.00 74.43 N ATOM 1254 CA ALA A 79 -2.081 0.736 -6.829 1.00 23.33 C ATOM 1255 C ALA A 79 -0.580 0.406 -6.916 1.00 3.23 C ATOM 1256 O ALA A 79 0.259 1.291 -7.091 1.00 43.45 O ATOM 1257 CB ALA A 79 -2.490 1.666 -7.967 1.00 51.42 C ATOM 0 H ALA A 79 -2.458 2.355 -5.537 1.00 74.43 H new ATOM 0 HA ALA A 79 -2.618 -0.208 -6.918 1.00 23.33 H new ATOM 0 HB1 ALA A 79 -2.214 1.217 -8.921 1.00 51.42 H new ATOM 0 HB2 ALA A 79 -3.568 1.824 -7.938 1.00 51.42 H new ATOM 0 HB3 ALA A 79 -1.980 2.623 -7.856 1.00 51.42 H new ATOM 1263 N THR A 80 -0.254 -0.881 -6.811 1.00 41.43 N ATOM 1264 CA THR A 80 1.143 -1.346 -6.889 1.00 71.21 C ATOM 1265 C THR A 80 1.804 -0.941 -8.212 1.00 53.31 C ATOM 1266 O THR A 80 3.014 -0.718 -8.275 1.00 53.44 O ATOM 1267 CB THR A 80 1.245 -2.884 -6.757 1.00 72.11 C ATOM 1268 OG1 THR A 80 0.555 -3.529 -7.843 1.00 62.02 O ATOM 1269 CG2 THR A 80 0.661 -3.360 -5.430 1.00 3.20 C ATOM 0 H THR A 80 -0.935 -1.627 -6.671 1.00 41.43 H new ATOM 0 HA THR A 80 1.661 -0.870 -6.056 1.00 71.21 H new ATOM 0 HB THR A 80 2.301 -3.150 -6.791 1.00 72.11 H new ATOM 0 HG1 THR A 80 -0.389 -3.648 -7.606 1.00 62.02 H new ATOM 0 HG21 THR A 80 0.746 -4.445 -5.363 1.00 3.20 H new ATOM 0 HG22 THR A 80 1.209 -2.902 -4.606 1.00 3.20 H new ATOM 0 HG23 THR A 80 -0.389 -3.074 -5.371 1.00 3.20 H new ATOM 1277 N ILE A 81 0.993 -0.825 -9.259 1.00 14.23 N ATOM 1278 CA ILE A 81 1.488 -0.523 -10.606 1.00 62.21 C ATOM 1279 C ILE A 81 2.218 0.837 -10.679 1.00 14.20 C ATOM 1280 O ILE A 81 3.074 1.045 -11.543 1.00 2.40 O ATOM 1281 CB ILE A 81 0.322 -0.540 -11.632 1.00 50.12 C ATOM 1282 CG1 ILE A 81 0.857 -0.526 -13.076 1.00 54.42 C ATOM 1283 CG2 ILE A 81 -0.628 0.635 -11.395 1.00 24.02 C ATOM 1284 CD1 ILE A 81 1.688 -1.745 -13.430 1.00 65.44 C ATOM 0 H ILE A 81 -0.019 -0.936 -9.203 1.00 14.23 H new ATOM 0 HA ILE A 81 2.210 -1.301 -10.853 1.00 62.21 H new ATOM 0 HB ILE A 81 -0.237 -1.464 -11.489 1.00 50.12 H new ATOM 0 HG12 ILE A 81 0.015 -0.458 -13.765 1.00 54.42 H new ATOM 0 HG13 ILE A 81 1.461 0.369 -13.222 1.00 54.42 H new ATOM 0 HG21 ILE A 81 -1.436 0.602 -12.125 1.00 24.02 H new ATOM 0 HG22 ILE A 81 -1.044 0.569 -10.390 1.00 24.02 H new ATOM 0 HG23 ILE A 81 -0.081 1.572 -11.501 1.00 24.02 H new ATOM 0 HD11 ILE A 81 2.030 -1.665 -14.462 1.00 65.44 H new ATOM 0 HD12 ILE A 81 2.550 -1.803 -12.765 1.00 65.44 H new ATOM 0 HD13 ILE A 81 1.082 -2.644 -13.318 1.00 65.44 H new ATOM 1296 N GLN A 82 1.893 1.758 -9.766 1.00 5.13 N ATOM 1297 CA GLN A 82 2.506 3.099 -9.778 1.00 55.20 C ATOM 1298 C GLN A 82 3.509 3.294 -8.628 1.00 1.55 C ATOM 1299 O GLN A 82 3.866 4.419 -8.282 1.00 71.53 O ATOM 1300 CB GLN A 82 1.412 4.188 -9.766 1.00 65.42 C ATOM 1301 CG GLN A 82 0.368 4.075 -8.653 1.00 42.33 C ATOM 1302 CD GLN A 82 0.850 4.596 -7.307 1.00 11.35 C ATOM 1303 OE1 GLN A 82 0.738 5.779 -7.012 1.00 43.55 O ATOM 1304 NE2 GLN A 82 1.353 3.719 -6.468 1.00 0.05 N ATOM 0 H GLN A 82 1.218 1.607 -9.016 1.00 5.13 H new ATOM 0 HA GLN A 82 3.077 3.192 -10.701 1.00 55.20 H new ATOM 0 HB2 GLN A 82 1.896 5.161 -9.686 1.00 65.42 H new ATOM 0 HB3 GLN A 82 0.895 4.167 -10.726 1.00 65.42 H new ATOM 0 HG2 GLN A 82 -0.525 4.626 -8.947 1.00 42.33 H new ATOM 0 HG3 GLN A 82 0.077 3.030 -8.545 1.00 42.33 H new ATOM 0 HE21 GLN A 82 1.434 2.740 -6.742 1.00 0.05 H new ATOM 0 HE22 GLN A 82 1.662 4.017 -5.543 1.00 0.05 H new ATOM 1313 N ILE A 83 3.983 2.191 -8.054 1.00 64.03 N ATOM 1314 CA ILE A 83 5.001 2.247 -6.999 1.00 54.15 C ATOM 1315 C ILE A 83 6.415 2.094 -7.593 1.00 24.42 C ATOM 1316 O ILE A 83 6.834 0.997 -7.954 1.00 60.41 O ATOM 1317 CB ILE A 83 4.751 1.151 -5.931 1.00 12.11 C ATOM 1318 CG1 ILE A 83 3.389 1.379 -5.245 1.00 54.44 C ATOM 1319 CG2 ILE A 83 5.879 1.125 -4.897 1.00 71.02 C ATOM 1320 CD1 ILE A 83 3.345 2.608 -4.359 1.00 5.24 C ATOM 0 H ILE A 83 3.682 1.248 -8.298 1.00 64.03 H new ATOM 0 HA ILE A 83 4.929 3.223 -6.519 1.00 54.15 H new ATOM 0 HB ILE A 83 4.734 0.182 -6.430 1.00 12.11 H new ATOM 0 HG12 ILE A 83 2.618 1.467 -6.011 1.00 54.44 H new ATOM 0 HG13 ILE A 83 3.144 0.502 -4.646 1.00 54.44 H new ATOM 0 HG21 ILE A 83 5.679 0.348 -4.160 1.00 71.02 H new ATOM 0 HG22 ILE A 83 6.825 0.917 -5.396 1.00 71.02 H new ATOM 0 HG23 ILE A 83 5.937 2.092 -4.398 1.00 71.02 H new ATOM 0 HD11 ILE A 83 2.355 2.700 -3.913 1.00 5.24 H new ATOM 0 HD12 ILE A 83 4.091 2.515 -3.570 1.00 5.24 H new ATOM 0 HD13 ILE A 83 3.557 3.495 -4.956 1.00 5.24 H new ATOM 1332 N ALA A 84 7.140 3.207 -7.685 1.00 73.44 N ATOM 1333 CA ALA A 84 8.474 3.235 -8.302 1.00 65.31 C ATOM 1334 C ALA A 84 9.460 2.232 -7.668 1.00 72.45 C ATOM 1335 O ALA A 84 10.379 1.749 -8.328 1.00 22.53 O ATOM 1336 CB ALA A 84 9.046 4.647 -8.230 1.00 32.12 C ATOM 0 H ALA A 84 6.826 4.113 -7.337 1.00 73.44 H new ATOM 0 HA ALA A 84 8.348 2.931 -9.341 1.00 65.31 H new ATOM 0 HB1 ALA A 84 10.035 4.663 -8.688 1.00 32.12 H new ATOM 0 HB2 ALA A 84 8.388 5.334 -8.763 1.00 32.12 H new ATOM 0 HB3 ALA A 84 9.125 4.955 -7.187 1.00 32.12 H new ATOM 1342 N ASN A 85 9.275 1.937 -6.382 1.00 71.43 N ATOM 1343 CA ASN A 85 10.167 1.016 -5.651 1.00 65.54 C ATOM 1344 C ASN A 85 9.599 -0.414 -5.556 1.00 34.32 C ATOM 1345 O ASN A 85 10.126 -1.241 -4.814 1.00 2.45 O ATOM 1346 CB ASN A 85 10.440 1.560 -4.239 1.00 64.23 C ATOM 1347 CG ASN A 85 11.426 2.721 -4.212 1.00 40.15 C ATOM 1348 OD1 ASN A 85 12.117 2.935 -3.221 1.00 51.14 O ATOM 1349 ND2 ASN A 85 11.515 3.469 -5.294 1.00 20.31 N ATOM 0 H ASN A 85 8.516 2.319 -5.817 1.00 71.43 H new ATOM 0 HA ASN A 85 11.096 0.957 -6.217 1.00 65.54 H new ATOM 0 HB2 ASN A 85 9.498 1.884 -3.795 1.00 64.23 H new ATOM 0 HB3 ASN A 85 10.825 0.753 -3.616 1.00 64.23 H new ATOM 0 HD21 ASN A 85 12.171 4.249 -5.322 1.00 20.31 H new ATOM 0 HD22 ASN A 85 10.928 3.267 -6.103 1.00 20.31 H new ATOM 1356 N PHE A 86 8.531 -0.699 -6.300 1.00 23.00 N ATOM 1357 CA PHE A 86 7.914 -2.024 -6.287 1.00 13.42 C ATOM 1358 C PHE A 86 8.786 -3.073 -7.006 1.00 1.52 C ATOM 1359 O PHE A 86 9.233 -2.849 -8.134 1.00 21.13 O ATOM 1360 CB PHE A 86 6.531 -1.964 -6.949 1.00 73.11 C ATOM 1361 CG PHE A 86 5.640 -3.099 -6.536 1.00 63.31 C ATOM 1362 CD1 PHE A 86 5.165 -3.157 -5.238 1.00 72.10 C ATOM 1363 CD2 PHE A 86 5.281 -4.102 -7.426 1.00 65.14 C ATOM 1364 CE1 PHE A 86 4.347 -4.193 -4.828 1.00 34.35 C ATOM 1365 CE2 PHE A 86 4.463 -5.141 -7.024 1.00 45.44 C ATOM 1366 CZ PHE A 86 3.995 -5.187 -5.722 1.00 4.23 C ATOM 0 H PHE A 86 8.075 -0.029 -6.920 1.00 23.00 H new ATOM 0 HA PHE A 86 7.815 -2.329 -5.245 1.00 13.42 H new ATOM 0 HB2 PHE A 86 6.051 -1.019 -6.693 1.00 73.11 H new ATOM 0 HB3 PHE A 86 6.651 -1.977 -8.032 1.00 73.11 H new ATOM 0 HD1 PHE A 86 5.437 -2.383 -4.536 1.00 72.10 H new ATOM 0 HD2 PHE A 86 5.644 -4.070 -8.443 1.00 65.14 H new ATOM 0 HE1 PHE A 86 3.984 -4.226 -3.811 1.00 34.35 H new ATOM 0 HE2 PHE A 86 4.189 -5.916 -7.725 1.00 45.44 H new ATOM 0 HZ PHE A 86 3.356 -5.998 -5.405 1.00 4.23 H new