USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 595 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 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 185 SER OG : rot -130:sc= -0.281 USER MOD Single : A 18 THR OG1 : rot 22:sc= 0.332 USER MOD Single : A 20 TYR OH : rot -54:sc= 0.746 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.0496 X(o=-0.05,f=0) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.216 K(o=-0.22,f=-0.82) USER MOD Single : A 95 GLN : amide:sc= -0.473 X(o=-0.47,f=-0.89) USER MOD Single : A 97 THR OG1 : rot 177:sc= -2.38 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= -0.864 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 11:sc= 0.743 USER MOD Single : A 159 THR OG1 : rot 180:sc= 0 USER MOD Single : A 163 TYR OH : rot 180:sc= 0 USER MOD Single : A 164 GLN : amide:sc= -0.0777 X(o=-0.078,f=-0.16) USER MOD Single : A 189 SER OG : rot 180:sc=-0.00951 USER MOD Single : A 190 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 275 N THR A 18 12.364 -4.035 -11.713 1.00 0.00 N ATOM 276 CA THR A 18 12.442 -3.794 -10.277 1.00 0.00 C ATOM 277 C THR A 18 11.147 -4.209 -9.586 1.00 0.00 C ATOM 278 O THR A 18 10.069 -4.148 -10.176 1.00 0.00 O ATOM 279 CB THR A 18 12.730 -2.317 -10.003 1.00 0.00 C ATOM 280 OG1 THR A 18 13.753 -1.839 -10.859 1.00 0.00 O ATOM 281 CG2 THR A 18 13.161 -2.047 -8.576 1.00 0.00 C ATOM 0 HA THR A 18 13.256 -4.396 -9.875 1.00 0.00 H new ATOM 0 HB THR A 18 11.788 -1.799 -10.186 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.811 -2.413 -11.652 1.00 0.00 H new ATOM 0 HG21 THR A 18 13.350 -0.981 -8.448 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.372 -2.360 -7.892 1.00 0.00 H new ATOM 0 HG23 THR A 18 14.072 -2.605 -8.359 1.00 0.00 H new ATOM 289 N TRP A 19 11.261 -4.630 -8.330 1.00 0.00 N ATOM 290 CA TRP A 19 10.099 -5.054 -7.559 1.00 0.00 C ATOM 291 C TRP A 19 10.090 -4.401 -6.181 1.00 0.00 C ATOM 292 O TRP A 19 11.101 -4.401 -5.475 1.00 0.00 O ATOM 293 CB TRP A 19 10.087 -6.576 -7.412 1.00 0.00 C ATOM 294 CG TRP A 19 9.957 -7.299 -8.718 1.00 0.00 C ATOM 295 CD1 TRP A 19 8.799 -7.610 -9.371 1.00 0.00 C ATOM 296 CD2 TRP A 19 11.024 -7.804 -9.530 1.00 0.00 C ATOM 297 NE1 TRP A 19 9.080 -8.274 -10.539 1.00 0.00 N ATOM 298 CE2 TRP A 19 10.439 -8.407 -10.660 1.00 0.00 C ATOM 299 CE3 TRP A 19 12.416 -7.803 -9.412 1.00 0.00 C ATOM 300 CZ2 TRP A 19 11.199 -9.002 -11.663 1.00 0.00 C ATOM 301 CZ3 TRP A 19 13.169 -8.394 -10.408 1.00 0.00 C ATOM 302 CH2 TRP A 19 12.559 -8.986 -11.521 1.00 0.00 C ATOM 0 H TRP A 19 12.146 -4.686 -7.826 1.00 0.00 H new ATOM 0 HA TRP A 19 9.205 -4.739 -8.096 1.00 0.00 H new ATOM 0 HB2 TRP A 19 11.006 -6.893 -6.919 1.00 0.00 H new ATOM 0 HB3 TRP A 19 9.261 -6.864 -6.762 1.00 0.00 H new ATOM 0 HD1 TRP A 19 7.807 -7.369 -9.020 1.00 0.00 H new ATOM 0 HE1 TRP A 19 8.389 -8.613 -11.209 1.00 0.00 H new ATOM 0 HE3 TRP A 19 12.895 -7.348 -8.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 10.731 -9.460 -12.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 14.246 -8.400 -10.327 1.00 0.00 H new ATOM 0 HH2 TRP A 19 13.176 -9.439 -12.283 1.00 0.00 H new ATOM 313 N TYR A 20 8.944 -3.848 -5.802 1.00 0.00 N ATOM 314 CA TYR A 20 8.800 -3.192 -4.506 1.00 0.00 C ATOM 315 C TYR A 20 7.587 -3.734 -3.759 1.00 0.00 C ATOM 316 O TYR A 20 6.515 -3.909 -4.339 1.00 0.00 O ATOM 317 CB TYR A 20 8.672 -1.677 -4.689 1.00 0.00 C ATOM 318 CG TYR A 20 9.612 -0.880 -3.815 1.00 0.00 C ATOM 319 CD1 TYR A 20 9.577 -1.002 -2.432 1.00 0.00 C ATOM 320 CD2 TYR A 20 10.536 -0.004 -4.373 1.00 0.00 C ATOM 321 CE1 TYR A 20 10.435 -0.273 -1.629 1.00 0.00 C ATOM 322 CE2 TYR A 20 11.398 0.726 -3.578 1.00 0.00 C ATOM 323 CZ TYR A 20 11.342 0.588 -2.206 1.00 0.00 C ATOM 324 OH TYR A 20 12.199 1.314 -1.411 1.00 0.00 O ATOM 0 H TYR A 20 8.099 -3.840 -6.374 1.00 0.00 H new ATOM 0 HA TYR A 20 9.692 -3.402 -3.915 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.862 -1.428 -5.733 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.646 -1.379 -4.472 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.868 -1.677 -1.976 1.00 0.00 H new ATOM 0 HD2 TYR A 20 10.581 0.108 -5.446 1.00 0.00 H new ATOM 0 HE1 TYR A 20 10.394 -0.378 -0.555 1.00 0.00 H new ATOM 0 HE2 TYR A 20 12.112 1.401 -4.027 1.00 0.00 H new ATOM 0 HH TYR A 20 11.683 1.810 -0.742 1.00 0.00 H new ATOM 334 N ALA A 21 7.761 -4.000 -2.466 1.00 0.00 N ATOM 335 CA ALA A 21 6.677 -4.524 -1.645 1.00 0.00 C ATOM 336 C ALA A 21 6.691 -3.907 -0.251 1.00 0.00 C ATOM 337 O ALA A 21 7.754 -3.692 0.333 1.00 0.00 O ATOM 338 CB ALA A 21 6.773 -6.040 -1.553 1.00 0.00 C ATOM 0 H ALA A 21 8.640 -3.861 -1.968 1.00 0.00 H new ATOM 0 HA ALA A 21 5.734 -4.256 -2.121 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.958 -6.419 -0.937 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.704 -6.470 -2.552 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.727 -6.318 -1.104 1.00 0.00 H new ATOM 344 N GLY A 22 5.504 -3.626 0.278 1.00 0.00 N ATOM 345 CA GLY A 22 5.400 -3.037 1.600 1.00 0.00 C ATOM 346 C GLY A 22 3.963 -2.874 2.052 1.00 0.00 C ATOM 347 O GLY A 22 3.047 -3.437 1.450 1.00 0.00 O ATOM 0 H GLY A 22 4.612 -3.796 -0.186 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.934 -3.662 2.316 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.890 -2.063 1.600 1.00 0.00 H new ATOM 351 N GLY A 23 3.763 -2.101 3.115 1.00 0.00 N ATOM 352 CA GLY A 23 2.424 -1.878 3.629 1.00 0.00 C ATOM 353 C GLY A 23 2.312 -0.587 4.415 1.00 0.00 C ATOM 354 O GLY A 23 3.284 -0.140 5.029 1.00 0.00 O ATOM 0 H GLY A 23 4.504 -1.625 3.629 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.718 -1.856 2.799 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.139 -2.714 4.268 1.00 0.00 H new ATOM 358 N LYS A 24 1.125 0.015 4.397 1.00 0.00 N ATOM 359 CA LYS A 24 0.892 1.263 5.112 1.00 0.00 C ATOM 360 C LYS A 24 -0.318 1.151 6.036 1.00 0.00 C ATOM 361 O LYS A 24 -1.167 0.276 5.863 1.00 0.00 O ATOM 362 CB LYS A 24 0.690 2.419 4.127 1.00 0.00 C ATOM 363 CG LYS A 24 -0.056 2.028 2.861 1.00 0.00 C ATOM 364 CD LYS A 24 -1.537 1.824 3.125 1.00 0.00 C ATOM 365 CE LYS A 24 -2.186 3.085 3.674 1.00 0.00 C ATOM 366 NZ LYS A 24 -3.628 3.173 3.313 1.00 0.00 N ATOM 0 H LYS A 24 0.312 -0.342 3.895 1.00 0.00 H new ATOM 0 HA LYS A 24 1.773 1.465 5.721 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.143 3.218 4.627 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.664 2.824 3.852 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.076 2.803 2.106 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.371 1.111 2.455 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.035 1.530 2.201 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.672 1.007 3.833 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.082 3.103 4.759 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.662 3.960 3.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.032 4.047 3.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.727 3.182 2.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.134 2.352 3.702 1.00 0.00 H new ATOM 380 N LEU A 25 -0.385 2.043 7.017 1.00 0.00 N ATOM 381 CA LEU A 25 -1.488 2.052 7.972 1.00 0.00 C ATOM 382 C LEU A 25 -2.004 3.472 8.183 1.00 0.00 C ATOM 383 O LEU A 25 -1.225 4.426 8.235 1.00 0.00 O ATOM 384 CB LEU A 25 -1.042 1.456 9.308 1.00 0.00 C ATOM 385 CG LEU A 25 -2.182 1.032 10.242 1.00 0.00 C ATOM 386 CD1 LEU A 25 -1.981 -0.398 10.721 1.00 0.00 C ATOM 387 CD2 LEU A 25 -2.286 1.980 11.428 1.00 0.00 C ATOM 0 H LEU A 25 0.312 2.771 7.173 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.295 1.443 7.565 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.413 0.588 9.110 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.421 2.187 9.826 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.115 1.079 9.681 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.801 -0.679 11.382 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.961 -1.070 9.863 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.037 -0.471 11.262 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.101 1.661 12.078 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.350 1.968 11.987 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.482 2.991 11.070 1.00 0.00 H new ATOM 399 N GLY A 26 -3.323 3.605 8.299 1.00 0.00 N ATOM 400 CA GLY A 26 -3.920 4.912 8.500 1.00 0.00 C ATOM 401 C GLY A 26 -5.240 4.839 9.243 1.00 0.00 C ATOM 402 O GLY A 26 -5.653 3.769 9.685 1.00 0.00 O ATOM 0 H GLY A 26 -3.987 2.832 8.257 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.227 5.543 9.057 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.077 5.389 7.533 1.00 0.00 H new ATOM 799 N GLY A 53 -7.095 1.200 9.762 1.00 0.00 N ATOM 800 CA GLY A 53 -7.114 0.483 8.501 1.00 0.00 C ATOM 801 C GLY A 53 -5.723 0.187 7.977 1.00 0.00 C ATOM 802 O GLY A 53 -4.854 1.059 7.975 1.00 0.00 O ATOM 0 HA2 GLY A 53 -7.657 -0.453 8.628 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.659 1.070 7.762 1.00 0.00 H new ATOM 806 N ALA A 54 -5.513 -1.047 7.527 1.00 0.00 N ATOM 807 CA ALA A 54 -4.221 -1.456 6.992 1.00 0.00 C ATOM 808 C ALA A 54 -4.282 -1.606 5.476 1.00 0.00 C ATOM 809 O ALA A 54 -5.297 -2.027 4.925 1.00 0.00 O ATOM 810 CB ALA A 54 -3.772 -2.760 7.635 1.00 0.00 C ATOM 0 H ALA A 54 -6.222 -1.780 7.523 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.494 -0.679 7.228 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.805 -3.054 7.226 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.683 -2.623 8.713 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.505 -3.539 7.428 1.00 0.00 H new ATOM 816 N GLY A 55 -3.188 -1.255 4.807 1.00 0.00 N ATOM 817 CA GLY A 55 -3.144 -1.356 3.361 1.00 0.00 C ATOM 818 C GLY A 55 -1.791 -1.811 2.849 1.00 0.00 C ATOM 819 O GLY A 55 -0.785 -1.131 3.045 1.00 0.00 O ATOM 0 H GLY A 55 -2.334 -0.903 5.240 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.909 -2.056 3.026 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.386 -0.387 2.925 1.00 0.00 H new ATOM 823 N ALA A 56 -1.770 -2.963 2.190 1.00 0.00 N ATOM 824 CA ALA A 56 -0.531 -3.508 1.643 1.00 0.00 C ATOM 825 C ALA A 56 -0.367 -3.109 0.182 1.00 0.00 C ATOM 826 O ALA A 56 -1.318 -3.168 -0.597 1.00 0.00 O ATOM 827 CB ALA A 56 -0.509 -5.021 1.787 1.00 0.00 C ATOM 0 H ALA A 56 -2.595 -3.538 2.021 1.00 0.00 H new ATOM 0 HA ALA A 56 0.305 -3.094 2.206 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.421 -5.412 1.375 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.579 -5.287 2.842 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.354 -5.450 1.248 1.00 0.00 H new ATOM 833 N PHE A 57 0.844 -2.698 -0.187 1.00 0.00 N ATOM 834 CA PHE A 57 1.121 -2.285 -1.557 1.00 0.00 C ATOM 835 C PHE A 57 2.304 -3.054 -2.136 1.00 0.00 C ATOM 836 O PHE A 57 3.349 -3.182 -1.499 1.00 0.00 O ATOM 837 CB PHE A 57 1.402 -0.782 -1.609 1.00 0.00 C ATOM 838 CG PHE A 57 0.160 0.057 -1.713 1.00 0.00 C ATOM 839 CD1 PHE A 57 -0.442 0.284 -2.941 1.00 0.00 C ATOM 840 CD2 PHE A 57 -0.409 0.620 -0.580 1.00 0.00 C ATOM 841 CE1 PHE A 57 -1.584 1.054 -3.038 1.00 0.00 C ATOM 842 CE2 PHE A 57 -1.551 1.392 -0.672 1.00 0.00 C ATOM 843 CZ PHE A 57 -2.140 1.609 -1.903 1.00 0.00 C ATOM 0 H PHE A 57 1.645 -2.643 0.442 1.00 0.00 H new ATOM 0 HA PHE A 57 0.240 -2.508 -2.160 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.953 -0.492 -0.714 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.046 -0.570 -2.462 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.012 -0.147 -3.833 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.046 0.453 0.385 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.042 1.222 -4.002 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.983 1.826 0.218 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.033 2.211 -1.977 1.00 0.00 H new ATOM 853 N GLY A 58 2.130 -3.560 -3.353 1.00 0.00 N ATOM 854 CA GLY A 58 3.189 -4.307 -4.007 1.00 0.00 C ATOM 855 C GLY A 58 3.114 -4.204 -5.517 1.00 0.00 C ATOM 856 O GLY A 58 2.081 -4.505 -6.114 1.00 0.00 O ATOM 0 H GLY A 58 1.273 -3.466 -3.899 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.156 -3.936 -3.667 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.128 -5.355 -3.713 1.00 0.00 H new ATOM 860 N GLY A 59 4.208 -3.774 -6.138 1.00 0.00 N ATOM 861 CA GLY A 59 4.230 -3.638 -7.582 1.00 0.00 C ATOM 862 C GLY A 59 5.629 -3.713 -8.159 1.00 0.00 C ATOM 863 O GLY A 59 6.591 -3.997 -7.444 1.00 0.00 O ATOM 0 H GLY A 59 5.077 -3.518 -5.668 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.617 -4.423 -8.025 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.778 -2.685 -7.859 1.00 0.00 H new ATOM 867 N TYR A 60 5.741 -3.461 -9.460 1.00 0.00 N ATOM 868 CA TYR A 60 7.028 -3.499 -10.141 1.00 0.00 C ATOM 869 C TYR A 60 7.066 -2.489 -11.285 1.00 0.00 C ATOM 870 O TYR A 60 6.023 -2.068 -11.789 1.00 0.00 O ATOM 871 CB TYR A 60 7.305 -4.905 -10.675 1.00 0.00 C ATOM 872 CG TYR A 60 6.206 -5.447 -11.559 1.00 0.00 C ATOM 873 CD1 TYR A 60 4.936 -5.697 -11.051 1.00 0.00 C ATOM 874 CD2 TYR A 60 6.436 -5.709 -12.904 1.00 0.00 C ATOM 875 CE1 TYR A 60 3.929 -6.192 -11.856 1.00 0.00 C ATOM 876 CE2 TYR A 60 5.433 -6.204 -13.718 1.00 0.00 C ATOM 877 CZ TYR A 60 4.183 -6.444 -13.190 1.00 0.00 C ATOM 878 OH TYR A 60 3.182 -6.937 -13.994 1.00 0.00 O ATOM 0 H TYR A 60 4.953 -3.228 -10.064 1.00 0.00 H new ATOM 0 HA TYR A 60 7.802 -3.234 -9.420 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.239 -4.893 -11.237 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.449 -5.582 -9.833 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.734 -5.501 -10.008 1.00 0.00 H new ATOM 0 HD2 TYR A 60 7.415 -5.523 -13.321 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.948 -6.381 -11.445 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.629 -6.401 -14.762 1.00 0.00 H new ATOM 0 HH TYR A 60 3.524 -7.058 -14.905 1.00 0.00 H new ATOM 888 N GLN A 61 8.272 -2.104 -11.687 1.00 0.00 N ATOM 889 CA GLN A 61 8.445 -1.140 -12.768 1.00 0.00 C ATOM 890 C GLN A 61 8.961 -1.822 -14.031 1.00 0.00 C ATOM 891 O GLN A 61 9.969 -2.527 -14.001 1.00 0.00 O ATOM 892 CB GLN A 61 9.409 -0.032 -12.341 1.00 0.00 C ATOM 893 CG GLN A 61 9.071 0.580 -10.992 1.00 0.00 C ATOM 894 CD GLN A 61 10.224 1.372 -10.405 1.00 0.00 C ATOM 895 OE1 GLN A 61 10.434 2.535 -10.751 1.00 0.00 O ATOM 896 NE2 GLN A 61 10.981 0.742 -9.514 1.00 0.00 N ATOM 0 H GLN A 61 9.144 -2.444 -11.281 1.00 0.00 H new ATOM 0 HA GLN A 61 7.472 -0.701 -12.988 1.00 0.00 H new ATOM 0 HB2 GLN A 61 10.421 -0.436 -12.304 1.00 0.00 H new ATOM 0 HB3 GLN A 61 9.406 0.752 -13.098 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.205 1.233 -11.100 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.789 -0.212 -10.298 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.770 -0.222 -9.257 1.00 0.00 H new ATOM 0 HE22 GLN A 61 11.773 1.222 -9.087 1.00 0.00 H new ATOM 970 N LEU A 66 7.440 4.221 -15.722 1.00 0.00 N ATOM 971 CA LEU A 66 6.381 3.997 -14.743 1.00 0.00 C ATOM 972 C LEU A 66 6.195 2.507 -14.482 1.00 0.00 C ATOM 973 O LEU A 66 6.670 1.669 -15.247 1.00 0.00 O ATOM 974 CB LEU A 66 5.061 4.624 -15.210 1.00 0.00 C ATOM 975 CG LEU A 66 4.506 4.083 -16.529 1.00 0.00 C ATOM 976 CD1 LEU A 66 3.508 2.967 -16.268 1.00 0.00 C ATOM 977 CD2 LEU A 66 3.854 5.202 -17.329 1.00 0.00 C ATOM 0 HA LEU A 66 6.679 4.478 -13.811 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.312 4.474 -14.432 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.205 5.700 -15.310 1.00 0.00 H new ATOM 0 HG LEU A 66 5.333 3.677 -17.111 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.123 2.594 -17.217 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.001 2.156 -15.732 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.683 3.350 -15.667 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.464 4.801 -18.265 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.037 5.634 -16.751 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.593 5.973 -17.545 1.00 0.00 H new ATOM 989 N GLY A 67 5.506 2.179 -13.392 1.00 0.00 N ATOM 990 CA GLY A 67 5.279 0.786 -13.054 1.00 0.00 C ATOM 991 C GLY A 67 3.865 0.526 -12.571 1.00 0.00 C ATOM 992 O GLY A 67 3.071 1.455 -12.421 1.00 0.00 O ATOM 0 H GLY A 67 5.102 2.851 -12.739 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.480 0.166 -13.928 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.985 0.484 -12.280 1.00 0.00 H new ATOM 996 N PHE A 68 3.553 -0.743 -12.327 1.00 0.00 N ATOM 997 CA PHE A 68 2.226 -1.128 -11.858 1.00 0.00 C ATOM 998 C PHE A 68 2.302 -1.717 -10.454 1.00 0.00 C ATOM 999 O PHE A 68 3.203 -2.496 -10.145 1.00 0.00 O ATOM 1000 CB PHE A 68 1.595 -2.140 -12.814 1.00 0.00 C ATOM 1001 CG PHE A 68 1.323 -1.584 -14.182 1.00 0.00 C ATOM 1002 CD1 PHE A 68 0.325 -0.644 -14.376 1.00 0.00 C ATOM 1003 CD2 PHE A 68 2.066 -2.002 -15.275 1.00 0.00 C ATOM 1004 CE1 PHE A 68 0.071 -0.131 -15.635 1.00 0.00 C ATOM 1005 CE2 PHE A 68 1.817 -1.493 -16.535 1.00 0.00 C ATOM 1006 CZ PHE A 68 0.819 -0.555 -16.716 1.00 0.00 C ATOM 0 H PHE A 68 4.201 -1.522 -12.446 1.00 0.00 H new ATOM 0 HA PHE A 68 1.603 -0.234 -11.829 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.256 -3.002 -12.906 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.660 -2.500 -12.384 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.262 -0.307 -13.534 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.849 -2.734 -15.140 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.712 0.600 -15.773 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.402 -1.828 -17.378 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.624 -0.154 -17.700 1.00 0.00 H new ATOM 1016 N GLU A 69 1.352 -1.342 -9.603 1.00 0.00 N ATOM 1017 CA GLU A 69 1.321 -1.836 -8.234 1.00 0.00 C ATOM 1018 C GLU A 69 -0.104 -2.139 -7.790 1.00 0.00 C ATOM 1019 O GLU A 69 -1.044 -1.426 -8.144 1.00 0.00 O ATOM 1020 CB GLU A 69 1.956 -0.815 -7.288 1.00 0.00 C ATOM 1021 CG GLU A 69 1.338 0.568 -7.384 1.00 0.00 C ATOM 1022 CD GLU A 69 1.260 1.266 -6.041 1.00 0.00 C ATOM 1023 OE1 GLU A 69 2.314 1.713 -5.541 1.00 0.00 O ATOM 1024 OE2 GLU A 69 0.144 1.368 -5.487 1.00 0.00 O ATOM 0 H GLU A 69 0.596 -0.699 -9.838 1.00 0.00 H new ATOM 0 HA GLU A 69 1.894 -2.763 -8.199 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.864 -1.175 -6.263 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.022 -0.744 -7.506 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.924 1.177 -8.072 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.336 0.486 -7.805 1.00 0.00 H new ATOM 1031 N MET A 70 -0.254 -3.201 -7.005 1.00 0.00 N ATOM 1032 CA MET A 70 -1.559 -3.603 -6.501 1.00 0.00 C ATOM 1033 C MET A 70 -1.647 -3.368 -4.998 1.00 0.00 C ATOM 1034 O MET A 70 -0.673 -3.571 -4.271 1.00 0.00 O ATOM 1035 CB MET A 70 -1.821 -5.078 -6.816 1.00 0.00 C ATOM 1036 CG MET A 70 -2.466 -5.305 -8.173 1.00 0.00 C ATOM 1037 SD MET A 70 -1.363 -4.904 -9.541 1.00 0.00 S ATOM 1038 CE MET A 70 -0.999 -6.540 -10.173 1.00 0.00 C ATOM 0 H MET A 70 0.516 -3.799 -6.704 1.00 0.00 H new ATOM 0 HA MET A 70 -2.318 -2.997 -6.995 1.00 0.00 H new ATOM 0 HB2 MET A 70 -0.878 -5.623 -6.776 1.00 0.00 H new ATOM 0 HB3 MET A 70 -2.464 -5.497 -6.043 1.00 0.00 H new ATOM 0 HG2 MET A 70 -2.775 -6.347 -8.254 1.00 0.00 H new ATOM 0 HG3 MET A 70 -3.368 -4.698 -8.248 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.325 -6.459 -11.026 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.526 -7.135 -9.392 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.924 -7.023 -10.487 1.00 0.00 H new ATOM 1048 N GLY A 71 -2.814 -2.937 -4.537 1.00 0.00 N ATOM 1049 CA GLY A 71 -3.000 -2.681 -3.122 1.00 0.00 C ATOM 1050 C GLY A 71 -3.917 -3.693 -2.467 1.00 0.00 C ATOM 1051 O GLY A 71 -4.715 -4.345 -3.139 1.00 0.00 O ATOM 0 H GLY A 71 -3.634 -2.760 -5.117 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -2.031 -2.696 -2.623 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.412 -1.681 -2.988 1.00 0.00 H new ATOM 1055 N TYR A 72 -3.803 -3.826 -1.151 1.00 0.00 N ATOM 1056 CA TYR A 72 -4.631 -4.768 -0.406 1.00 0.00 C ATOM 1057 C TYR A 72 -5.265 -4.091 0.804 1.00 0.00 C ATOM 1058 O TYR A 72 -4.567 -3.675 1.728 1.00 0.00 O ATOM 1059 CB TYR A 72 -3.795 -5.969 0.044 1.00 0.00 C ATOM 1060 CG TYR A 72 -4.481 -7.300 -0.169 1.00 0.00 C ATOM 1061 CD1 TYR A 72 -5.519 -7.706 0.661 1.00 0.00 C ATOM 1062 CD2 TYR A 72 -4.090 -8.149 -1.196 1.00 0.00 C ATOM 1063 CE1 TYR A 72 -6.149 -8.921 0.471 1.00 0.00 C ATOM 1064 CE2 TYR A 72 -4.715 -9.366 -1.393 1.00 0.00 C ATOM 1065 CZ TYR A 72 -5.743 -9.746 -0.557 1.00 0.00 C ATOM 1066 OH TYR A 72 -6.368 -10.958 -0.748 1.00 0.00 O ATOM 0 H TYR A 72 -3.147 -3.295 -0.578 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.427 -5.116 -1.064 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -2.850 -5.966 -0.499 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.556 -5.858 1.102 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.838 -7.062 1.467 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -3.284 -7.853 -1.852 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.955 -9.223 1.124 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -4.400 -10.015 -2.197 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.964 -11.417 -1.514 1.00 0.00 H new ATOM 1076 N ASP A 73 -6.589 -3.983 0.792 1.00 0.00 N ATOM 1077 CA ASP A 73 -7.311 -3.354 1.890 1.00 0.00 C ATOM 1078 C ASP A 73 -7.697 -4.382 2.947 1.00 0.00 C ATOM 1079 O ASP A 73 -8.430 -5.334 2.667 1.00 0.00 O ATOM 1080 CB ASP A 73 -8.561 -2.642 1.370 1.00 0.00 C ATOM 1081 CG ASP A 73 -8.742 -1.269 1.986 1.00 0.00 C ATOM 1082 OD1 ASP A 73 -8.173 -1.025 3.070 1.00 0.00 O ATOM 1083 OD2 ASP A 73 -9.452 -0.436 1.384 1.00 0.00 O ATOM 0 H ASP A 73 -7.183 -4.322 0.035 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.651 -2.618 2.349 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.496 -2.545 0.286 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.439 -3.252 1.584 1.00 0.00 H new ATOM 1088 N TRP A 74 -7.197 -4.181 4.163 1.00 0.00 N ATOM 1089 CA TRP A 74 -7.484 -5.084 5.270 1.00 0.00 C ATOM 1090 C TRP A 74 -7.823 -4.301 6.535 1.00 0.00 C ATOM 1091 O TRP A 74 -7.040 -3.461 6.985 1.00 0.00 O ATOM 1092 CB TRP A 74 -6.285 -6.000 5.529 1.00 0.00 C ATOM 1093 CG TRP A 74 -6.663 -7.328 6.108 1.00 0.00 C ATOM 1094 CD1 TRP A 74 -7.765 -7.610 6.864 1.00 0.00 C ATOM 1095 CD2 TRP A 74 -5.939 -8.557 5.980 1.00 0.00 C ATOM 1096 NE1 TRP A 74 -7.770 -8.940 7.213 1.00 0.00 N ATOM 1097 CE2 TRP A 74 -6.660 -9.542 6.681 1.00 0.00 C ATOM 1098 CE3 TRP A 74 -4.751 -8.920 5.339 1.00 0.00 C ATOM 1099 CZ2 TRP A 74 -6.231 -10.864 6.759 1.00 0.00 C ATOM 1100 CZ3 TRP A 74 -4.326 -10.234 5.417 1.00 0.00 C ATOM 1101 CH2 TRP A 74 -5.065 -11.193 6.122 1.00 0.00 C ATOM 0 H TRP A 74 -6.590 -3.398 4.406 1.00 0.00 H new ATOM 0 HA TRP A 74 -8.347 -5.692 4.999 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.751 -6.160 4.592 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -5.595 -5.499 6.208 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.522 -6.893 7.146 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -8.484 -9.403 7.776 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.175 -8.188 4.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -6.798 -11.604 7.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.409 -10.526 4.926 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -4.708 -12.211 6.164 1.00 0.00 H new ATOM 1361 N GLN A 92 -12.231 -8.757 1.448 1.00 0.00 N ATOM 1362 CA GLN A 92 -10.830 -8.473 1.159 1.00 0.00 C ATOM 1363 C GLN A 92 -10.715 -7.399 0.084 1.00 0.00 C ATOM 1364 O GLN A 92 -11.323 -7.506 -0.981 1.00 0.00 O ATOM 1365 CB GLN A 92 -10.111 -9.745 0.708 1.00 0.00 C ATOM 1366 CG GLN A 92 -10.719 -10.382 -0.532 1.00 0.00 C ATOM 1367 CD GLN A 92 -11.291 -11.760 -0.258 1.00 0.00 C ATOM 1368 OE1 GLN A 92 -10.749 -12.522 0.541 1.00 0.00 O ATOM 1369 NE2 GLN A 92 -12.393 -12.087 -0.925 1.00 0.00 N ATOM 0 HA GLN A 92 -10.358 -8.107 2.071 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -9.065 -9.510 0.510 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -10.126 -10.469 1.523 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -11.507 -9.736 -0.919 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -9.958 -10.456 -1.308 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -12.809 -11.424 -1.579 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -12.822 -13.001 -0.783 1.00 0.00 H new ATOM 1378 N GLY A 93 -9.938 -6.358 0.369 1.00 0.00 N ATOM 1379 CA GLY A 93 -9.771 -5.281 -0.586 1.00 0.00 C ATOM 1380 C GLY A 93 -8.628 -5.519 -1.553 1.00 0.00 C ATOM 1381 O GLY A 93 -7.528 -5.895 -1.148 1.00 0.00 O ATOM 0 H GLY A 93 -9.423 -6.243 1.242 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.696 -5.155 -1.149 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.596 -4.349 -0.048 1.00 0.00 H new ATOM 1385 N VAL A 94 -8.889 -5.288 -2.837 1.00 0.00 N ATOM 1386 CA VAL A 94 -7.879 -5.464 -3.872 1.00 0.00 C ATOM 1387 C VAL A 94 -7.794 -4.216 -4.741 1.00 0.00 C ATOM 1388 O VAL A 94 -8.770 -3.834 -5.389 1.00 0.00 O ATOM 1389 CB VAL A 94 -8.173 -6.689 -4.766 1.00 0.00 C ATOM 1390 CG1 VAL A 94 -7.504 -7.935 -4.206 1.00 0.00 C ATOM 1391 CG2 VAL A 94 -9.673 -6.906 -4.911 1.00 0.00 C ATOM 0 H VAL A 94 -9.796 -4.977 -3.185 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.928 -5.633 -3.368 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.760 -6.493 -5.756 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.723 -8.786 -4.850 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -6.426 -7.781 -4.163 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -7.883 -8.132 -3.203 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.855 -7.774 -5.545 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.113 -7.075 -3.928 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.126 -6.024 -5.364 1.00 0.00 H new ATOM 1401 N GLN A 95 -6.633 -3.571 -4.736 1.00 0.00 N ATOM 1402 CA GLN A 95 -6.439 -2.352 -5.513 1.00 0.00 C ATOM 1403 C GLN A 95 -5.520 -2.580 -6.707 1.00 0.00 C ATOM 1404 O GLN A 95 -4.610 -3.407 -6.663 1.00 0.00 O ATOM 1405 CB GLN A 95 -5.866 -1.247 -4.625 1.00 0.00 C ATOM 1406 CG GLN A 95 -6.641 -1.039 -3.335 1.00 0.00 C ATOM 1407 CD GLN A 95 -5.743 -0.684 -2.167 1.00 0.00 C ATOM 1408 OE1 GLN A 95 -4.889 0.199 -2.269 1.00 0.00 O ATOM 1409 NE2 GLN A 95 -5.929 -1.371 -1.046 1.00 0.00 N ATOM 0 H GLN A 95 -5.815 -3.870 -4.205 1.00 0.00 H new ATOM 0 HA GLN A 95 -7.414 -2.049 -5.894 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -4.831 -1.488 -4.382 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -5.853 -0.312 -5.186 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -7.374 -0.245 -3.480 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -7.197 -1.947 -3.099 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -6.647 -2.094 -1.004 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -5.354 -1.176 -0.227 1.00 0.00 H new ATOM 1418 N LEU A 96 -5.767 -1.821 -7.769 1.00 0.00 N ATOM 1419 CA LEU A 96 -4.973 -1.905 -8.989 1.00 0.00 C ATOM 1420 C LEU A 96 -4.640 -0.501 -9.481 1.00 0.00 C ATOM 1421 O LEU A 96 -5.533 0.255 -9.865 1.00 0.00 O ATOM 1422 CB LEU A 96 -5.741 -2.684 -10.064 1.00 0.00 C ATOM 1423 CG LEU A 96 -5.166 -2.594 -11.481 1.00 0.00 C ATOM 1424 CD1 LEU A 96 -5.191 -3.959 -12.155 1.00 0.00 C ATOM 1425 CD2 LEU A 96 -5.943 -1.580 -12.308 1.00 0.00 C ATOM 0 H LEU A 96 -6.519 -1.133 -7.809 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.043 -2.434 -8.779 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.777 -3.733 -9.771 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.769 -2.323 -10.084 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.130 -2.262 -11.411 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.779 -3.876 -13.161 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.593 -4.662 -11.575 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.219 -4.318 -12.213 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.521 -1.529 -13.312 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.988 -1.884 -12.369 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.878 -0.599 -11.837 1.00 0.00 H new ATOM 1437 N THR A 97 -3.358 -0.142 -9.452 1.00 0.00 N ATOM 1438 CA THR A 97 -2.942 1.187 -9.882 1.00 0.00 C ATOM 1439 C THR A 97 -1.499 1.194 -10.367 1.00 0.00 C ATOM 1440 O THR A 97 -0.744 0.249 -10.132 1.00 0.00 O ATOM 1441 CB THR A 97 -3.102 2.182 -8.729 1.00 0.00 C ATOM 1442 OG1 THR A 97 -2.404 3.385 -9.002 1.00 0.00 O ATOM 1443 CG2 THR A 97 -2.596 1.650 -7.405 1.00 0.00 C ATOM 0 H THR A 97 -2.599 -0.747 -9.139 1.00 0.00 H new ATOM 0 HA THR A 97 -3.580 1.481 -10.716 1.00 0.00 H new ATOM 0 HB THR A 97 -4.175 2.358 -8.647 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.559 4.025 -8.277 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.739 2.404 -6.631 1.00 0.00 H new ATOM 0 HG22 THR A 97 -3.149 0.749 -7.140 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.535 1.413 -7.489 1.00 0.00 H new ATOM 1451 N ALA A 98 -1.122 2.278 -11.035 1.00 0.00 N ATOM 1452 CA ALA A 98 0.231 2.433 -11.548 1.00 0.00 C ATOM 1453 C ALA A 98 0.999 3.461 -10.725 1.00 0.00 C ATOM 1454 O ALA A 98 0.478 4.533 -10.411 1.00 0.00 O ATOM 1455 CB ALA A 98 0.200 2.840 -13.014 1.00 0.00 C ATOM 0 H ALA A 98 -1.739 3.065 -11.234 1.00 0.00 H new ATOM 0 HA ALA A 98 0.743 1.474 -11.467 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.220 2.952 -13.382 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.313 2.073 -13.594 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.329 3.787 -13.117 1.00 0.00 H new ATOM 1461 N LYS A 99 2.234 3.126 -10.372 1.00 0.00 N ATOM 1462 CA LYS A 99 3.067 4.021 -9.578 1.00 0.00 C ATOM 1463 C LYS A 99 4.164 4.655 -10.426 1.00 0.00 C ATOM 1464 O LYS A 99 4.886 3.964 -11.145 1.00 0.00 O ATOM 1465 CB LYS A 99 3.691 3.262 -8.404 1.00 0.00 C ATOM 1466 CG LYS A 99 4.557 2.086 -8.831 1.00 0.00 C ATOM 1467 CD LYS A 99 6.034 2.363 -8.599 1.00 0.00 C ATOM 1468 CE LYS A 99 6.752 1.139 -8.055 1.00 0.00 C ATOM 1469 NZ LYS A 99 6.475 0.928 -6.607 1.00 0.00 N ATOM 0 H LYS A 99 2.680 2.243 -10.622 1.00 0.00 H new ATOM 0 HA LYS A 99 2.429 4.817 -9.195 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.295 3.953 -7.816 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.896 2.899 -7.753 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.262 1.196 -8.275 1.00 0.00 H new ATOM 0 HG3 LYS A 99 4.388 1.874 -9.887 1.00 0.00 H new ATOM 0 HD2 LYS A 99 6.499 2.672 -9.535 1.00 0.00 H new ATOM 0 HD3 LYS A 99 6.144 3.192 -7.899 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.442 0.257 -8.616 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.826 1.251 -8.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.983 0.083 -6.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 6.794 1.758 -6.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.453 0.795 -6.465 1.00 0.00 H new ATOM 1483 N LEU A 100 4.283 5.975 -10.332 1.00 0.00 N ATOM 1484 CA LEU A 100 5.294 6.708 -11.083 1.00 0.00 C ATOM 1485 C LEU A 100 5.984 7.733 -10.191 1.00 0.00 C ATOM 1486 O LEU A 100 5.330 8.581 -9.582 1.00 0.00 O ATOM 1487 CB LEU A 100 4.665 7.400 -12.295 1.00 0.00 C ATOM 1488 CG LEU A 100 3.763 8.592 -11.970 1.00 0.00 C ATOM 1489 CD1 LEU A 100 4.574 9.878 -11.929 1.00 0.00 C ATOM 1490 CD2 LEU A 100 2.639 8.702 -12.989 1.00 0.00 C ATOM 0 H LEU A 100 3.691 6.559 -9.742 1.00 0.00 H new ATOM 0 HA LEU A 100 6.040 5.996 -11.437 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.464 7.739 -12.955 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.083 6.665 -12.851 1.00 0.00 H new ATOM 0 HG LEU A 100 3.321 8.433 -10.986 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.916 10.716 -11.697 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.345 9.798 -11.162 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.043 10.043 -12.899 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.007 9.555 -12.743 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.062 8.839 -13.984 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.041 7.791 -12.971 1.00 0.00 H new ATOM 1502 N GLY A 101 7.308 7.650 -10.110 1.00 0.00 N ATOM 1503 CA GLY A 101 8.058 8.575 -9.282 1.00 0.00 C ATOM 1504 C GLY A 101 9.548 8.532 -9.559 1.00 0.00 C ATOM 1505 O GLY A 101 9.991 7.916 -10.527 1.00 0.00 O ATOM 0 H GLY A 101 7.874 6.959 -10.603 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.690 9.587 -9.450 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.881 8.342 -8.232 1.00 0.00 H new ATOM 1509 N TYR A 102 10.319 9.191 -8.701 1.00 0.00 N ATOM 1510 CA TYR A 102 11.771 9.232 -8.851 1.00 0.00 C ATOM 1511 C TYR A 102 12.444 9.725 -7.568 1.00 0.00 C ATOM 1512 O TYR A 102 11.820 10.398 -6.750 1.00 0.00 O ATOM 1513 CB TYR A 102 12.158 10.136 -10.023 1.00 0.00 C ATOM 1514 CG TYR A 102 11.457 11.476 -10.013 1.00 0.00 C ATOM 1515 CD1 TYR A 102 11.902 12.508 -9.196 1.00 0.00 C ATOM 1516 CD2 TYR A 102 10.352 11.710 -10.820 1.00 0.00 C ATOM 1517 CE1 TYR A 102 11.264 13.734 -9.185 1.00 0.00 C ATOM 1518 CE2 TYR A 102 9.708 12.933 -10.815 1.00 0.00 C ATOM 1519 CZ TYR A 102 10.169 13.941 -9.996 1.00 0.00 C ATOM 1520 OH TYR A 102 9.531 15.161 -9.987 1.00 0.00 O ATOM 0 H TYR A 102 9.964 9.704 -7.894 1.00 0.00 H new ATOM 0 HA TYR A 102 12.117 8.218 -9.052 1.00 0.00 H new ATOM 0 HB2 TYR A 102 13.236 10.299 -10.004 1.00 0.00 H new ATOM 0 HB3 TYR A 102 11.929 9.623 -10.957 1.00 0.00 H new ATOM 0 HD1 TYR A 102 12.760 12.350 -8.559 1.00 0.00 H new ATOM 0 HD2 TYR A 102 9.989 10.922 -11.463 1.00 0.00 H new ATOM 0 HE1 TYR A 102 11.622 14.526 -8.544 1.00 0.00 H new ATOM 0 HE2 TYR A 102 8.849 13.098 -11.449 1.00 0.00 H new ATOM 0 HH TYR A 102 8.780 15.142 -10.616 1.00 0.00 H new ATOM 1530 N PRO A 103 13.734 9.390 -7.381 1.00 0.00 N ATOM 1531 CA PRO A 103 14.496 9.796 -6.196 1.00 0.00 C ATOM 1532 C PRO A 103 14.967 11.245 -6.269 1.00 0.00 C ATOM 1533 O PRO A 103 14.856 11.892 -7.311 1.00 0.00 O ATOM 1534 CB PRO A 103 15.690 8.845 -6.216 1.00 0.00 C ATOM 1535 CG PRO A 103 15.911 8.557 -7.661 1.00 0.00 C ATOM 1536 CD PRO A 103 14.552 8.585 -8.311 1.00 0.00 C ATOM 0 HA PRO A 103 13.898 9.744 -5.286 1.00 0.00 H new ATOM 0 HB2 PRO A 103 16.570 9.302 -5.763 1.00 0.00 H new ATOM 0 HB3 PRO A 103 15.481 7.933 -5.657 1.00 0.00 H new ATOM 0 HG2 PRO A 103 16.571 9.300 -8.109 1.00 0.00 H new ATOM 0 HG3 PRO A 103 16.386 7.585 -7.795 1.00 0.00 H new ATOM 0 HD2 PRO A 103 14.592 9.036 -9.302 1.00 0.00 H new ATOM 0 HD3 PRO A 103 14.146 7.581 -8.434 1.00 0.00 H new ATOM 1601 N LEU A 108 16.043 9.664 -0.802 1.00 0.00 N ATOM 1602 CA LEU A 108 14.741 10.317 -0.715 1.00 0.00 C ATOM 1603 C LEU A 108 14.012 10.199 -2.048 1.00 0.00 C ATOM 1604 O LEU A 108 14.515 10.647 -3.077 1.00 0.00 O ATOM 1605 CB LEU A 108 14.908 11.791 -0.324 1.00 0.00 C ATOM 1606 CG LEU A 108 16.264 12.154 0.298 1.00 0.00 C ATOM 1607 CD1 LEU A 108 16.368 13.655 0.523 1.00 0.00 C ATOM 1608 CD2 LEU A 108 16.476 11.403 1.605 1.00 0.00 C ATOM 0 HA LEU A 108 14.149 9.823 0.055 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.758 12.405 -1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 108 14.121 12.054 0.382 1.00 0.00 H new ATOM 0 HG LEU A 108 17.047 11.856 -0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 108 17.336 13.891 0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 108 16.268 14.174 -0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 108 15.574 13.978 1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 108 17.443 11.675 2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 108 15.685 11.665 2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.452 10.330 1.416 1.00 0.00 H new ATOM 1620 N ASP A 109 12.837 9.575 -2.034 1.00 0.00 N ATOM 1621 CA ASP A 109 12.073 9.388 -3.263 1.00 0.00 C ATOM 1622 C ASP A 109 10.653 9.934 -3.153 1.00 0.00 C ATOM 1623 O ASP A 109 10.035 9.904 -2.088 1.00 0.00 O ATOM 1624 CB ASP A 109 12.027 7.904 -3.631 1.00 0.00 C ATOM 1625 CG ASP A 109 11.780 7.682 -5.111 1.00 0.00 C ATOM 1626 OD1 ASP A 109 10.889 8.355 -5.671 1.00 0.00 O ATOM 1627 OD2 ASP A 109 12.477 6.836 -5.710 1.00 0.00 O ATOM 0 H ASP A 109 12.398 9.195 -1.196 1.00 0.00 H new ATOM 0 HA ASP A 109 12.581 9.951 -4.046 1.00 0.00 H new ATOM 0 HB2 ASP A 109 12.968 7.433 -3.348 1.00 0.00 H new ATOM 0 HB3 ASP A 109 11.240 7.414 -3.057 1.00 0.00 H new ATOM 1632 N ILE A 110 10.143 10.418 -4.283 1.00 0.00 N ATOM 1633 CA ILE A 110 8.794 10.964 -4.364 1.00 0.00 C ATOM 1634 C ILE A 110 8.047 10.324 -5.533 1.00 0.00 C ATOM 1635 O ILE A 110 8.513 10.368 -6.672 1.00 0.00 O ATOM 1636 CB ILE A 110 8.821 12.501 -4.538 1.00 0.00 C ATOM 1637 CG1 ILE A 110 7.423 13.040 -4.884 1.00 0.00 C ATOM 1638 CG2 ILE A 110 9.842 12.898 -5.597 1.00 0.00 C ATOM 1639 CD1 ILE A 110 7.157 13.171 -6.372 1.00 0.00 C ATOM 0 H ILE A 110 10.653 10.442 -5.166 1.00 0.00 H new ATOM 0 HA ILE A 110 8.279 10.737 -3.431 1.00 0.00 H new ATOM 0 HB ILE A 110 9.122 12.949 -3.591 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.673 12.379 -4.449 1.00 0.00 H new ATOM 0 HG13 ILE A 110 7.297 14.016 -4.416 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.849 13.982 -5.707 1.00 0.00 H new ATOM 0 HG22 ILE A 110 10.832 12.558 -5.293 1.00 0.00 H new ATOM 0 HG23 ILE A 110 9.577 12.438 -6.549 1.00 0.00 H new ATOM 0 HD11 ILE A 110 6.150 13.557 -6.529 1.00 0.00 H new ATOM 0 HD12 ILE A 110 7.881 13.856 -6.812 1.00 0.00 H new ATOM 0 HD13 ILE A 110 7.248 12.193 -6.845 1.00 0.00 H new ATOM 1651 N TYR A 111 6.898 9.717 -5.248 1.00 0.00 N ATOM 1652 CA TYR A 111 6.116 9.061 -6.291 1.00 0.00 C ATOM 1653 C TYR A 111 4.619 9.240 -6.065 1.00 0.00 C ATOM 1654 O TYR A 111 4.187 9.689 -5.004 1.00 0.00 O ATOM 1655 CB TYR A 111 6.456 7.570 -6.343 1.00 0.00 C ATOM 1656 CG TYR A 111 6.113 6.826 -5.072 1.00 0.00 C ATOM 1657 CD1 TYR A 111 4.827 6.349 -4.848 1.00 0.00 C ATOM 1658 CD2 TYR A 111 7.076 6.600 -4.096 1.00 0.00 C ATOM 1659 CE1 TYR A 111 4.512 5.670 -3.687 1.00 0.00 C ATOM 1660 CE2 TYR A 111 6.766 5.922 -2.933 1.00 0.00 C ATOM 1661 CZ TYR A 111 5.484 5.458 -2.734 1.00 0.00 C ATOM 1662 OH TYR A 111 5.173 4.781 -1.577 1.00 0.00 O ATOM 0 H TYR A 111 6.491 9.666 -4.314 1.00 0.00 H new ATOM 0 HA TYR A 111 6.373 9.528 -7.242 1.00 0.00 H new ATOM 0 HB2 TYR A 111 5.923 7.113 -7.177 1.00 0.00 H new ATOM 0 HB3 TYR A 111 7.521 7.456 -6.545 1.00 0.00 H new ATOM 0 HD1 TYR A 111 4.062 6.512 -5.593 1.00 0.00 H new ATOM 0 HD2 TYR A 111 8.083 6.960 -4.249 1.00 0.00 H new ATOM 0 HE1 TYR A 111 3.508 5.307 -3.527 1.00 0.00 H new ATOM 0 HE2 TYR A 111 7.525 5.756 -2.183 1.00 0.00 H new ATOM 0 HH TYR A 111 5.971 4.716 -1.011 1.00 0.00 H new ATOM 1672 N THR A 112 3.835 8.880 -7.077 1.00 0.00 N ATOM 1673 CA THR A 112 2.384 8.991 -7.001 1.00 0.00 C ATOM 1674 C THR A 112 1.719 7.793 -7.674 1.00 0.00 C ATOM 1675 O THR A 112 2.176 7.323 -8.717 1.00 0.00 O ATOM 1676 CB THR A 112 1.914 10.289 -7.661 1.00 0.00 C ATOM 1677 OG1 THR A 112 2.458 10.417 -8.962 1.00 0.00 O ATOM 1678 CG2 THR A 112 2.295 11.528 -6.879 1.00 0.00 C ATOM 0 H THR A 112 4.182 8.508 -7.961 1.00 0.00 H new ATOM 0 HA THR A 112 2.096 9.005 -5.950 1.00 0.00 H new ATOM 0 HB THR A 112 0.827 10.219 -7.695 1.00 0.00 H new ATOM 0 HG1 THR A 112 2.144 11.252 -9.367 1.00 0.00 H new ATOM 0 HG21 THR A 112 1.932 12.414 -7.401 1.00 0.00 H new ATOM 0 HG22 THR A 112 1.848 11.483 -5.886 1.00 0.00 H new ATOM 0 HG23 THR A 112 3.380 11.580 -6.786 1.00 0.00 H new ATOM 1686 N ARG A 113 0.645 7.300 -7.069 1.00 0.00 N ATOM 1687 CA ARG A 113 -0.076 6.153 -7.609 1.00 0.00 C ATOM 1688 C ARG A 113 -1.457 6.558 -8.116 1.00 0.00 C ATOM 1689 O ARG A 113 -2.235 7.184 -7.394 1.00 0.00 O ATOM 1690 CB ARG A 113 -0.210 5.064 -6.543 1.00 0.00 C ATOM 1691 CG ARG A 113 -0.675 5.588 -5.193 1.00 0.00 C ATOM 1692 CD ARG A 113 -1.280 4.481 -4.344 1.00 0.00 C ATOM 1693 NE ARG A 113 -0.936 4.626 -2.932 1.00 0.00 N ATOM 1694 CZ ARG A 113 0.243 4.285 -2.418 1.00 0.00 C ATOM 1695 NH1 ARG A 113 1.194 3.783 -3.195 1.00 0.00 N ATOM 1696 NH2 ARG A 113 0.473 4.448 -1.122 1.00 0.00 N ATOM 0 H ARG A 113 0.254 7.676 -6.205 1.00 0.00 H new ATOM 0 HA ARG A 113 0.495 5.763 -8.451 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -0.915 4.309 -6.893 1.00 0.00 H new ATOM 0 HB3 ARG A 113 0.753 4.568 -6.419 1.00 0.00 H new ATOM 0 HG2 ARG A 113 0.168 6.034 -4.665 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -1.412 6.378 -5.342 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -2.364 4.489 -4.456 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -0.930 3.514 -4.705 1.00 0.00 H new ATOM 0 HE ARG A 113 -1.641 5.011 -2.303 1.00 0.00 H new ATOM 0 HH11 ARG A 113 1.024 3.656 -4.193 1.00 0.00 H new ATOM 0 HH12 ARG A 113 2.096 3.524 -2.795 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -0.254 4.835 -0.520 1.00 0.00 H new ATOM 0 HH22 ARG A 113 1.377 4.187 -0.728 1.00 0.00 H new ATOM 1710 N LEU A 114 -1.752 6.190 -9.359 1.00 0.00 N ATOM 1711 CA LEU A 114 -3.040 6.507 -9.971 1.00 0.00 C ATOM 1712 C LEU A 114 -3.721 5.238 -10.479 1.00 0.00 C ATOM 1713 O LEU A 114 -3.140 4.480 -11.257 1.00 0.00 O ATOM 1714 CB LEU A 114 -2.853 7.502 -11.122 1.00 0.00 C ATOM 1715 CG LEU A 114 -4.117 7.806 -11.932 1.00 0.00 C ATOM 1716 CD1 LEU A 114 -4.134 9.264 -12.377 1.00 0.00 C ATOM 1717 CD2 LEU A 114 -4.210 6.882 -13.136 1.00 0.00 C ATOM 0 H LEU A 114 -1.116 5.671 -9.964 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.677 6.962 -9.212 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.468 8.437 -10.714 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.092 7.112 -11.798 1.00 0.00 H new ATOM 0 HG LEU A 114 -4.983 7.633 -11.293 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -5.040 9.459 -12.951 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -4.113 9.912 -11.501 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.261 9.465 -12.998 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.114 7.111 -13.701 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.337 7.026 -13.773 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.246 5.846 -12.798 1.00 0.00 H new ATOM 1729 N GLY A 115 -4.952 5.012 -10.029 1.00 0.00 N ATOM 1730 CA GLY A 115 -5.689 3.832 -10.446 1.00 0.00 C ATOM 1731 C GLY A 115 -7.039 3.721 -9.766 1.00 0.00 C ATOM 1732 O GLY A 115 -7.792 4.694 -9.708 1.00 0.00 O ATOM 0 H GLY A 115 -5.452 5.624 -9.384 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.831 3.859 -11.526 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -5.100 2.942 -10.224 1.00 0.00 H new ATOM 1736 N GLY A 116 -7.351 2.534 -9.250 1.00 0.00 N ATOM 1737 CA GLY A 116 -8.624 2.335 -8.582 1.00 0.00 C ATOM 1738 C GLY A 116 -8.585 1.222 -7.553 1.00 0.00 C ATOM 1739 O GLY A 116 -7.620 0.461 -7.484 1.00 0.00 O ATOM 0 H GLY A 116 -6.748 1.712 -9.283 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.921 3.263 -8.094 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -9.387 2.108 -9.326 1.00 0.00 H new ATOM 1743 N MET A 117 -9.643 1.132 -6.749 1.00 0.00 N ATOM 1744 CA MET A 117 -9.737 0.110 -5.715 1.00 0.00 C ATOM 1745 C MET A 117 -11.032 -0.683 -5.859 1.00 0.00 C ATOM 1746 O MET A 117 -12.070 -0.131 -6.234 1.00 0.00 O ATOM 1747 CB MET A 117 -9.663 0.751 -4.327 1.00 0.00 C ATOM 1748 CG MET A 117 -9.829 -0.240 -3.184 1.00 0.00 C ATOM 1749 SD MET A 117 -11.427 -0.091 -2.361 1.00 0.00 S ATOM 1750 CE MET A 117 -11.146 1.353 -1.339 1.00 0.00 C ATOM 0 H MET A 117 -10.447 1.757 -6.796 1.00 0.00 H new ATOM 0 HA MET A 117 -8.897 -0.575 -5.832 1.00 0.00 H new ATOM 0 HB2 MET A 117 -8.703 1.256 -4.221 1.00 0.00 H new ATOM 0 HB3 MET A 117 -10.436 1.515 -4.248 1.00 0.00 H new ATOM 0 HG2 MET A 117 -9.716 -1.254 -3.568 1.00 0.00 H new ATOM 0 HG3 MET A 117 -9.034 -0.085 -2.455 1.00 0.00 H new ATOM 0 HE1 MET A 117 -12.047 1.574 -0.766 1.00 0.00 H new ATOM 0 HE2 MET A 117 -10.319 1.160 -0.655 1.00 0.00 H new ATOM 0 HE3 MET A 117 -10.901 2.205 -1.973 1.00 0.00 H new ATOM 1760 N VAL A 118 -10.965 -1.977 -5.560 1.00 0.00 N ATOM 1761 CA VAL A 118 -12.134 -2.844 -5.660 1.00 0.00 C ATOM 1762 C VAL A 118 -12.314 -3.665 -4.386 1.00 0.00 C ATOM 1763 O VAL A 118 -11.374 -4.302 -3.910 1.00 0.00 O ATOM 1764 CB VAL A 118 -12.030 -3.804 -6.865 1.00 0.00 C ATOM 1765 CG1 VAL A 118 -13.415 -4.234 -7.323 1.00 0.00 C ATOM 1766 CG2 VAL A 118 -11.259 -3.160 -8.013 1.00 0.00 C ATOM 0 H VAL A 118 -10.116 -2.447 -5.247 1.00 0.00 H new ATOM 0 HA VAL A 118 -12.997 -2.194 -5.801 1.00 0.00 H new ATOM 0 HB VAL A 118 -11.480 -4.690 -6.547 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -13.324 -4.910 -8.173 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -13.926 -4.744 -6.507 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -13.990 -3.356 -7.618 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -11.201 -3.858 -8.849 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -11.772 -2.253 -8.333 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -10.252 -2.909 -7.679 1.00 0.00 H new ATOM 1776 N TRP A 119 -13.525 -3.643 -3.840 1.00 0.00 N ATOM 1777 CA TRP A 119 -13.825 -4.386 -2.619 1.00 0.00 C ATOM 1778 C TRP A 119 -15.031 -5.300 -2.820 1.00 0.00 C ATOM 1779 O TRP A 119 -16.041 -4.892 -3.393 1.00 0.00 O ATOM 1780 CB TRP A 119 -14.086 -3.420 -1.461 1.00 0.00 C ATOM 1781 CG TRP A 119 -13.357 -3.788 -0.204 1.00 0.00 C ATOM 1782 CD1 TRP A 119 -13.086 -5.047 0.247 1.00 0.00 C ATOM 1783 CD2 TRP A 119 -12.804 -2.888 0.762 1.00 0.00 C ATOM 1784 NE1 TRP A 119 -12.400 -4.985 1.436 1.00 0.00 N ATOM 1785 CE2 TRP A 119 -12.215 -3.670 1.774 1.00 0.00 C ATOM 1786 CE3 TRP A 119 -12.752 -1.495 0.873 1.00 0.00 C ATOM 1787 CZ2 TRP A 119 -11.581 -3.107 2.877 1.00 0.00 C ATOM 1788 CZ3 TRP A 119 -12.122 -0.937 1.970 1.00 0.00 C ATOM 1789 CH2 TRP A 119 -11.543 -1.742 2.958 1.00 0.00 C ATOM 0 H TRP A 119 -14.314 -3.121 -4.221 1.00 0.00 H new ATOM 0 HA TRP A 119 -12.961 -5.005 -2.378 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -13.791 -2.415 -1.762 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -15.156 -3.390 -1.256 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -13.369 -5.959 -0.257 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -12.080 -5.787 1.979 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -13.196 -0.866 0.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -11.135 -3.725 3.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -12.076 0.138 2.066 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -11.056 -1.276 3.802 1.00 0.00 H new ATOM 2091 N VAL A 141 -16.365 -0.430 -5.474 1.00 0.00 N ATOM 2092 CA VAL A 141 -15.337 -0.221 -6.488 1.00 0.00 C ATOM 2093 C VAL A 141 -15.316 1.230 -6.955 1.00 0.00 C ATOM 2094 O VAL A 141 -16.329 1.760 -7.410 1.00 0.00 O ATOM 2095 CB VAL A 141 -15.555 -1.143 -7.705 1.00 0.00 C ATOM 2096 CG1 VAL A 141 -16.897 -0.857 -8.362 1.00 0.00 C ATOM 2097 CG2 VAL A 141 -14.419 -0.988 -8.706 1.00 0.00 C ATOM 0 HA VAL A 141 -14.379 -0.464 -6.027 1.00 0.00 H new ATOM 0 HB VAL A 141 -15.562 -2.175 -7.356 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -17.031 -1.518 -9.218 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -17.698 -1.028 -7.643 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -16.925 0.180 -8.696 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -14.592 -1.647 -9.557 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -14.376 0.045 -9.050 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -13.475 -1.251 -8.229 1.00 0.00 H new ATOM 2107 N SER A 142 -14.156 1.873 -6.837 1.00 0.00 N ATOM 2108 CA SER A 142 -14.018 3.267 -7.248 1.00 0.00 C ATOM 2109 C SER A 142 -12.562 3.617 -7.551 1.00 0.00 C ATOM 2110 O SER A 142 -11.643 3.072 -6.939 1.00 0.00 O ATOM 2111 CB SER A 142 -14.555 4.195 -6.157 1.00 0.00 C ATOM 2112 OG SER A 142 -15.970 4.137 -6.090 1.00 0.00 O ATOM 0 H SER A 142 -13.304 1.454 -6.463 1.00 0.00 H new ATOM 0 HA SER A 142 -14.599 3.403 -8.160 1.00 0.00 H new ATOM 0 HB2 SER A 142 -14.130 3.913 -5.194 1.00 0.00 H new ATOM 0 HB3 SER A 142 -14.239 5.219 -6.358 1.00 0.00 H new ATOM 0 HG SER A 142 -16.293 3.392 -6.639 1.00 0.00 H new ATOM 2118 N PRO A 143 -12.334 4.540 -8.503 1.00 0.00 N ATOM 2119 CA PRO A 143 -10.986 4.969 -8.885 1.00 0.00 C ATOM 2120 C PRO A 143 -10.391 5.950 -7.880 1.00 0.00 C ATOM 2121 O PRO A 143 -11.115 6.733 -7.266 1.00 0.00 O ATOM 2122 CB PRO A 143 -11.212 5.654 -10.231 1.00 0.00 C ATOM 2123 CG PRO A 143 -12.594 6.203 -10.139 1.00 0.00 C ATOM 2124 CD PRO A 143 -13.375 5.242 -9.281 1.00 0.00 C ATOM 0 HA PRO A 143 -10.281 4.138 -8.925 1.00 0.00 H new ATOM 0 HB2 PRO A 143 -10.481 6.444 -10.403 1.00 0.00 H new ATOM 0 HB3 PRO A 143 -11.119 4.949 -11.057 1.00 0.00 H new ATOM 0 HG2 PRO A 143 -12.588 7.200 -9.699 1.00 0.00 H new ATOM 0 HG3 PRO A 143 -13.043 6.294 -11.128 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -14.076 5.765 -8.631 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -13.958 4.548 -9.886 1.00 0.00 H new ATOM 2132 N VAL A 144 -9.071 5.907 -7.715 1.00 0.00 N ATOM 2133 CA VAL A 144 -8.394 6.800 -6.780 1.00 0.00 C ATOM 2134 C VAL A 144 -6.930 6.999 -7.157 1.00 0.00 C ATOM 2135 O VAL A 144 -6.340 6.180 -7.862 1.00 0.00 O ATOM 2136 CB VAL A 144 -8.471 6.267 -5.335 1.00 0.00 C ATOM 2137 CG1 VAL A 144 -9.919 6.123 -4.894 1.00 0.00 C ATOM 2138 CG2 VAL A 144 -7.734 4.941 -5.208 1.00 0.00 C ATOM 0 H VAL A 144 -8.453 5.267 -8.214 1.00 0.00 H new ATOM 0 HA VAL A 144 -8.911 7.758 -6.837 1.00 0.00 H new ATOM 0 HB VAL A 144 -7.984 6.989 -4.679 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -9.952 5.746 -3.872 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -10.411 7.095 -4.938 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -10.433 5.425 -5.555 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -7.802 4.584 -4.180 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -8.185 4.208 -5.877 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -6.687 5.080 -5.476 1.00 0.00 H new ATOM 2148 N PHE A 145 -6.350 8.095 -6.676 1.00 0.00 N ATOM 2149 CA PHE A 145 -4.954 8.410 -6.950 1.00 0.00 C ATOM 2150 C PHE A 145 -4.321 9.110 -5.751 1.00 0.00 C ATOM 2151 O PHE A 145 -4.773 10.176 -5.336 1.00 0.00 O ATOM 2152 CB PHE A 145 -4.842 9.297 -8.191 1.00 0.00 C ATOM 2153 CG PHE A 145 -5.693 10.533 -8.123 1.00 0.00 C ATOM 2154 CD1 PHE A 145 -7.070 10.448 -8.238 1.00 0.00 C ATOM 2155 CD2 PHE A 145 -5.113 11.778 -7.944 1.00 0.00 C ATOM 2156 CE1 PHE A 145 -7.856 11.583 -8.174 1.00 0.00 C ATOM 2157 CE2 PHE A 145 -5.893 12.918 -7.881 1.00 0.00 C ATOM 2158 CZ PHE A 145 -7.266 12.820 -7.996 1.00 0.00 C ATOM 0 H PHE A 145 -6.828 8.781 -6.093 1.00 0.00 H new ATOM 0 HA PHE A 145 -4.421 7.477 -7.134 1.00 0.00 H new ATOM 0 HB2 PHE A 145 -3.801 9.589 -8.326 1.00 0.00 H new ATOM 0 HB3 PHE A 145 -5.127 8.717 -9.069 1.00 0.00 H new ATOM 0 HD1 PHE A 145 -7.535 9.484 -8.379 1.00 0.00 H new ATOM 0 HD2 PHE A 145 -4.040 11.859 -7.853 1.00 0.00 H new ATOM 0 HE1 PHE A 145 -8.929 11.503 -8.263 1.00 0.00 H new ATOM 0 HE2 PHE A 145 -5.429 13.884 -7.742 1.00 0.00 H new ATOM 0 HZ PHE A 145 -7.878 13.709 -7.947 1.00 0.00 H new ATOM 2168 N ALA A 146 -3.277 8.501 -5.194 1.00 0.00 N ATOM 2169 CA ALA A 146 -2.595 9.071 -4.037 1.00 0.00 C ATOM 2170 C ALA A 146 -1.122 9.331 -4.332 1.00 0.00 C ATOM 2171 O ALA A 146 -0.570 8.810 -5.300 1.00 0.00 O ATOM 2172 CB ALA A 146 -2.739 8.149 -2.836 1.00 0.00 C ATOM 0 H ALA A 146 -2.887 7.618 -5.523 1.00 0.00 H new ATOM 0 HA ALA A 146 -3.063 10.029 -3.809 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -2.226 8.585 -1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -3.795 8.021 -2.600 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -2.299 7.179 -3.067 1.00 0.00 H new ATOM 2178 N GLY A 147 -0.493 10.140 -3.484 1.00 0.00 N ATOM 2179 CA GLY A 147 0.911 10.457 -3.663 1.00 0.00 C ATOM 2180 C GLY A 147 1.659 10.511 -2.347 1.00 0.00 C ATOM 2181 O GLY A 147 1.088 10.874 -1.317 1.00 0.00 O ATOM 0 H GLY A 147 -0.932 10.581 -2.676 1.00 0.00 H new ATOM 0 HA2 GLY A 147 1.371 9.709 -4.310 1.00 0.00 H new ATOM 0 HA3 GLY A 147 1.003 11.417 -4.171 1.00 0.00 H new ATOM 2185 N GLY A 148 2.939 10.150 -2.373 1.00 0.00 N ATOM 2186 CA GLY A 148 3.733 10.167 -1.161 1.00 0.00 C ATOM 2187 C GLY A 148 5.222 10.097 -1.436 1.00 0.00 C ATOM 2188 O GLY A 148 5.655 10.181 -2.587 1.00 0.00 O ATOM 0 H GLY A 148 3.438 9.847 -3.210 1.00 0.00 H new ATOM 0 HA2 GLY A 148 3.514 11.076 -0.601 1.00 0.00 H new ATOM 0 HA3 GLY A 148 3.444 9.326 -0.531 1.00 0.00 H new ATOM 2192 N VAL A 149 6.007 9.942 -0.376 1.00 0.00 N ATOM 2193 CA VAL A 149 7.458 9.860 -0.508 1.00 0.00 C ATOM 2194 C VAL A 149 8.015 8.681 0.283 1.00 0.00 C ATOM 2195 O VAL A 149 7.313 8.086 1.102 1.00 0.00 O ATOM 2196 CB VAL A 149 8.141 11.156 -0.030 1.00 0.00 C ATOM 2197 CG1 VAL A 149 7.879 12.291 -1.012 1.00 0.00 C ATOM 2198 CG2 VAL A 149 7.670 11.527 1.368 1.00 0.00 C ATOM 0 H VAL A 149 5.665 9.871 0.582 1.00 0.00 H new ATOM 0 HA VAL A 149 7.672 9.717 -1.567 1.00 0.00 H new ATOM 0 HB VAL A 149 9.217 10.984 0.012 1.00 0.00 H new ATOM 0 HG11 VAL A 149 8.369 13.198 -0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 149 8.275 12.023 -1.992 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.806 12.465 -1.089 1.00 0.00 H new ATOM 0 HG21 VAL A 149 8.164 12.445 1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 149 6.591 11.680 1.360 1.00 0.00 H new ATOM 0 HG23 VAL A 149 7.917 10.722 2.061 1.00 0.00 H new ATOM 2208 N GLU A 150 9.276 8.342 0.032 1.00 0.00 N ATOM 2209 CA GLU A 150 9.916 7.228 0.723 1.00 0.00 C ATOM 2210 C GLU A 150 11.315 7.603 1.201 1.00 0.00 C ATOM 2211 O GLU A 150 11.985 8.445 0.601 1.00 0.00 O ATOM 2212 CB GLU A 150 9.990 6.006 -0.196 1.00 0.00 C ATOM 2213 CG GLU A 150 10.243 4.705 0.544 1.00 0.00 C ATOM 2214 CD GLU A 150 9.556 3.520 -0.108 1.00 0.00 C ATOM 2215 OE1 GLU A 150 8.540 3.732 -0.802 1.00 0.00 O ATOM 2216 OE2 GLU A 150 10.036 2.381 0.075 1.00 0.00 O ATOM 0 H GLU A 150 9.873 8.821 -0.642 1.00 0.00 H new ATOM 0 HA GLU A 150 9.311 6.985 1.597 1.00 0.00 H new ATOM 0 HB2 GLU A 150 9.056 5.923 -0.752 1.00 0.00 H new ATOM 0 HB3 GLU A 150 10.784 6.159 -0.927 1.00 0.00 H new ATOM 0 HG2 GLU A 150 11.316 4.519 0.588 1.00 0.00 H new ATOM 0 HG3 GLU A 150 9.894 4.802 1.572 1.00 0.00 H new ATOM 2223 N TRP A 151 11.749 6.965 2.285 1.00 0.00 N ATOM 2224 CA TRP A 151 13.069 7.222 2.852 1.00 0.00 C ATOM 2225 C TRP A 151 13.786 5.911 3.157 1.00 0.00 C ATOM 2226 O TRP A 151 13.326 5.117 3.977 1.00 0.00 O ATOM 2227 CB TRP A 151 12.947 8.059 4.126 1.00 0.00 C ATOM 2228 CG TRP A 151 12.197 9.341 3.928 1.00 0.00 C ATOM 2229 CD1 TRP A 151 12.549 10.380 3.115 1.00 0.00 C ATOM 2230 CD2 TRP A 151 10.965 9.719 4.552 1.00 0.00 C ATOM 2231 NE1 TRP A 151 11.612 11.382 3.198 1.00 0.00 N ATOM 2232 CE2 TRP A 151 10.630 10.999 4.074 1.00 0.00 C ATOM 2233 CE3 TRP A 151 10.112 9.099 5.471 1.00 0.00 C ATOM 2234 CZ2 TRP A 151 9.480 11.670 4.482 1.00 0.00 C ATOM 2235 CZ3 TRP A 151 8.971 9.766 5.875 1.00 0.00 C ATOM 2236 CH2 TRP A 151 8.664 11.040 5.382 1.00 0.00 C ATOM 0 H TRP A 151 11.204 6.265 2.789 1.00 0.00 H new ATOM 0 HA TRP A 151 13.654 7.778 2.119 1.00 0.00 H new ATOM 0 HB2 TRP A 151 12.446 7.468 4.893 1.00 0.00 H new ATOM 0 HB3 TRP A 151 13.946 8.285 4.500 1.00 0.00 H new ATOM 0 HD1 TRP A 151 13.434 10.410 2.497 1.00 0.00 H new ATOM 0 HE1 TRP A 151 11.642 12.266 2.691 1.00 0.00 H new ATOM 0 HE3 TRP A 151 10.341 8.117 5.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 151 9.241 12.652 4.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 151 8.305 9.296 6.583 1.00 0.00 H new ATOM 0 HH2 TRP A 151 7.765 11.535 5.719 1.00 0.00 H new ATOM 2247 N ALA A 152 14.916 5.690 2.491 1.00 0.00 N ATOM 2248 CA ALA A 152 15.694 4.472 2.689 1.00 0.00 C ATOM 2249 C ALA A 152 16.580 4.572 3.926 1.00 0.00 C ATOM 2250 O ALA A 152 17.413 5.472 4.035 1.00 0.00 O ATOM 2251 CB ALA A 152 16.538 4.183 1.457 1.00 0.00 C ATOM 0 H ALA A 152 15.313 6.338 1.810 1.00 0.00 H new ATOM 0 HA ALA A 152 14.996 3.649 2.845 1.00 0.00 H new ATOM 0 HB1 ALA A 152 17.114 3.272 1.616 1.00 0.00 H new ATOM 0 HB2 ALA A 152 15.887 4.054 0.592 1.00 0.00 H new ATOM 0 HB3 ALA A 152 17.218 5.016 1.278 1.00 0.00 H new ATOM 2257 N VAL A 153 16.399 3.637 4.853 1.00 0.00 N ATOM 2258 CA VAL A 153 17.183 3.611 6.081 1.00 0.00 C ATOM 2259 C VAL A 153 18.040 2.350 6.155 1.00 0.00 C ATOM 2260 O VAL A 153 19.268 2.421 6.167 1.00 0.00 O ATOM 2261 CB VAL A 153 16.278 3.677 7.328 1.00 0.00 C ATOM 2262 CG1 VAL A 153 17.115 3.697 8.599 1.00 0.00 C ATOM 2263 CG2 VAL A 153 15.368 4.893 7.261 1.00 0.00 C ATOM 0 H VAL A 153 15.714 2.885 4.776 1.00 0.00 H new ATOM 0 HA VAL A 153 17.829 4.489 6.065 1.00 0.00 H new ATOM 0 HB VAL A 153 15.654 2.784 7.348 1.00 0.00 H new ATOM 0 HG11 VAL A 153 16.457 3.744 9.467 1.00 0.00 H new ATOM 0 HG12 VAL A 153 17.720 2.792 8.650 1.00 0.00 H new ATOM 0 HG13 VAL A 153 17.768 4.570 8.591 1.00 0.00 H new ATOM 0 HG21 VAL A 153 14.736 4.924 8.149 1.00 0.00 H new ATOM 0 HG22 VAL A 153 15.973 5.798 7.215 1.00 0.00 H new ATOM 0 HG23 VAL A 153 14.741 4.830 6.372 1.00 0.00 H new ATOM 2323 N ILE A 157 15.089 -1.997 3.856 1.00 0.00 N ATOM 2324 CA ILE A 157 13.893 -1.644 4.614 1.00 0.00 C ATOM 2325 C ILE A 157 13.739 -0.130 4.722 1.00 0.00 C ATOM 2326 O ILE A 157 14.396 0.516 5.538 1.00 0.00 O ATOM 2327 CB ILE A 157 13.925 -2.246 6.032 1.00 0.00 C ATOM 2328 CG1 ILE A 157 14.326 -3.722 5.974 1.00 0.00 C ATOM 2329 CG2 ILE A 157 12.571 -2.085 6.705 1.00 0.00 C ATOM 2330 CD1 ILE A 157 14.410 -4.379 7.335 1.00 0.00 C ATOM 0 HA ILE A 157 13.043 -2.058 4.072 1.00 0.00 H new ATOM 0 HB ILE A 157 14.668 -1.710 6.622 1.00 0.00 H new ATOM 0 HG12 ILE A 157 13.604 -4.263 5.362 1.00 0.00 H new ATOM 0 HG13 ILE A 157 15.292 -3.808 5.477 1.00 0.00 H new ATOM 0 HG21 ILE A 157 12.609 -2.515 7.706 1.00 0.00 H new ATOM 0 HG22 ILE A 157 12.323 -1.026 6.774 1.00 0.00 H new ATOM 0 HG23 ILE A 157 11.810 -2.599 6.118 1.00 0.00 H new ATOM 0 HD11 ILE A 157 14.699 -5.423 7.218 1.00 0.00 H new ATOM 0 HD12 ILE A 157 15.153 -3.863 7.943 1.00 0.00 H new ATOM 0 HD13 ILE A 157 13.438 -4.324 7.826 1.00 0.00 H new ATOM 2342 N ALA A 158 12.865 0.431 3.891 1.00 0.00 N ATOM 2343 CA ALA A 158 12.621 1.868 3.893 1.00 0.00 C ATOM 2344 C ALA A 158 11.207 2.189 4.367 1.00 0.00 C ATOM 2345 O ALA A 158 10.360 1.303 4.473 1.00 0.00 O ATOM 2346 CB ALA A 158 12.855 2.440 2.502 1.00 0.00 C ATOM 0 H ALA A 158 12.314 -0.089 3.208 1.00 0.00 H new ATOM 0 HA ALA A 158 13.320 2.329 4.591 1.00 0.00 H new ATOM 0 HB1 ALA A 158 12.670 3.514 2.514 1.00 0.00 H new ATOM 0 HB2 ALA A 158 13.886 2.253 2.200 1.00 0.00 H new ATOM 0 HB3 ALA A 158 12.177 1.963 1.794 1.00 0.00 H new ATOM 2352 N THR A 159 10.962 3.465 4.644 1.00 0.00 N ATOM 2353 CA THR A 159 9.651 3.916 5.100 1.00 0.00 C ATOM 2354 C THR A 159 9.113 4.997 4.172 1.00 0.00 C ATOM 2355 O THR A 159 9.871 5.824 3.666 1.00 0.00 O ATOM 2356 CB THR A 159 9.740 4.448 6.531 1.00 0.00 C ATOM 2357 OG1 THR A 159 8.528 5.078 6.907 1.00 0.00 O ATOM 2358 CG2 THR A 159 10.859 5.449 6.729 1.00 0.00 C ATOM 0 H THR A 159 11.656 4.208 4.561 1.00 0.00 H new ATOM 0 HA THR A 159 8.967 3.067 5.084 1.00 0.00 H new ATOM 0 HB THR A 159 9.941 3.575 7.152 1.00 0.00 H new ATOM 0 HG1 THR A 159 8.603 5.410 7.826 1.00 0.00 H new ATOM 0 HG21 THR A 159 10.866 5.786 7.765 1.00 0.00 H new ATOM 0 HG22 THR A 159 11.814 4.979 6.494 1.00 0.00 H new ATOM 0 HG23 THR A 159 10.704 6.303 6.070 1.00 0.00 H new ATOM 2366 N ARG A 160 7.805 4.987 3.940 1.00 0.00 N ATOM 2367 CA ARG A 160 7.190 5.970 3.057 1.00 0.00 C ATOM 2368 C ARG A 160 5.884 6.510 3.633 1.00 0.00 C ATOM 2369 O ARG A 160 5.141 5.794 4.310 1.00 0.00 O ATOM 2370 CB ARG A 160 6.932 5.354 1.682 1.00 0.00 C ATOM 2371 CG ARG A 160 6.152 4.051 1.733 1.00 0.00 C ATOM 2372 CD ARG A 160 4.659 4.288 1.579 1.00 0.00 C ATOM 2373 NE ARG A 160 3.875 3.123 1.983 1.00 0.00 N ATOM 2374 CZ ARG A 160 3.691 2.052 1.216 1.00 0.00 C ATOM 2375 NH1 ARG A 160 4.234 1.991 0.006 1.00 0.00 N ATOM 2376 NH2 ARG A 160 2.963 1.035 1.659 1.00 0.00 N ATOM 0 H ARG A 160 7.155 4.315 4.347 1.00 0.00 H new ATOM 0 HA ARG A 160 7.885 6.804 2.960 1.00 0.00 H new ATOM 0 HB2 ARG A 160 6.385 6.071 1.069 1.00 0.00 H new ATOM 0 HB3 ARG A 160 7.887 5.176 1.188 1.00 0.00 H new ATOM 0 HG2 ARG A 160 6.499 3.387 0.942 1.00 0.00 H new ATOM 0 HG3 ARG A 160 6.345 3.547 2.680 1.00 0.00 H new ATOM 0 HD2 ARG A 160 4.365 5.149 2.179 1.00 0.00 H new ATOM 0 HD3 ARG A 160 4.436 4.533 0.540 1.00 0.00 H new ATOM 0 HE ARG A 160 3.444 3.132 2.907 1.00 0.00 H new ATOM 0 HH11 ARG A 160 4.796 2.768 -0.340 1.00 0.00 H new ATOM 0 HH12 ARG A 160 4.089 1.167 -0.577 1.00 0.00 H new ATOM 0 HH21 ARG A 160 2.544 1.074 2.588 1.00 0.00 H new ATOM 0 HH22 ARG A 160 2.822 0.214 1.070 1.00 0.00 H new ATOM 2390 N LEU A 161 5.610 7.777 3.338 1.00 0.00 N ATOM 2391 CA LEU A 161 4.393 8.432 3.795 1.00 0.00 C ATOM 2392 C LEU A 161 3.507 8.768 2.600 1.00 0.00 C ATOM 2393 O LEU A 161 3.954 9.407 1.644 1.00 0.00 O ATOM 2394 CB LEU A 161 4.731 9.707 4.576 1.00 0.00 C ATOM 2395 CG LEU A 161 3.850 9.975 5.799 1.00 0.00 C ATOM 2396 CD1 LEU A 161 4.450 11.077 6.661 1.00 0.00 C ATOM 2397 CD2 LEU A 161 2.438 10.342 5.367 1.00 0.00 C ATOM 0 H LEU A 161 6.221 8.373 2.780 1.00 0.00 H new ATOM 0 HA LEU A 161 3.857 7.753 4.458 1.00 0.00 H new ATOM 0 HB2 LEU A 161 5.770 9.650 4.902 1.00 0.00 H new ATOM 0 HB3 LEU A 161 4.655 10.559 3.900 1.00 0.00 H new ATOM 0 HG LEU A 161 3.802 9.064 6.395 1.00 0.00 H new ATOM 0 HD11 LEU A 161 3.809 11.253 7.525 1.00 0.00 H new ATOM 0 HD12 LEU A 161 5.441 10.775 7.000 1.00 0.00 H new ATOM 0 HD13 LEU A 161 4.530 11.993 6.076 1.00 0.00 H new ATOM 0 HD21 LEU A 161 1.825 10.529 6.249 1.00 0.00 H new ATOM 0 HD22 LEU A 161 2.468 11.239 4.749 1.00 0.00 H new ATOM 0 HD23 LEU A 161 2.008 9.521 4.794 1.00 0.00 H new ATOM 2409 N GLU A 162 2.255 8.320 2.651 1.00 0.00 N ATOM 2410 CA GLU A 162 1.313 8.563 1.563 1.00 0.00 C ATOM 2411 C GLU A 162 0.232 9.556 1.975 1.00 0.00 C ATOM 2412 O GLU A 162 -0.292 9.495 3.089 1.00 0.00 O ATOM 2413 CB GLU A 162 0.670 7.249 1.118 1.00 0.00 C ATOM 2414 CG GLU A 162 -0.185 6.596 2.192 1.00 0.00 C ATOM 2415 CD GLU A 162 -1.670 6.712 1.908 1.00 0.00 C ATOM 2416 OE1 GLU A 162 -2.195 7.846 1.944 1.00 0.00 O ATOM 2417 OE2 GLU A 162 -2.307 5.671 1.649 1.00 0.00 O ATOM 0 H GLU A 162 1.871 7.788 3.432 1.00 0.00 H new ATOM 0 HA GLU A 162 1.869 8.993 0.730 1.00 0.00 H new ATOM 0 HB2 GLU A 162 0.054 7.435 0.238 1.00 0.00 H new ATOM 0 HB3 GLU A 162 1.454 6.554 0.817 1.00 0.00 H new ATOM 0 HG2 GLU A 162 0.084 5.543 2.274 1.00 0.00 H new ATOM 0 HG3 GLU A 162 0.034 7.057 3.155 1.00 0.00 H new ATOM 2424 N TYR A 163 -0.102 10.465 1.064 1.00 0.00 N ATOM 2425 CA TYR A 163 -1.124 11.470 1.320 1.00 0.00 C ATOM 2426 C TYR A 163 -2.077 11.583 0.134 1.00 0.00 C ATOM 2427 O TYR A 163 -1.723 11.241 -0.995 1.00 0.00 O ATOM 2428 CB TYR A 163 -0.478 12.827 1.605 1.00 0.00 C ATOM 2429 CG TYR A 163 0.473 13.287 0.523 1.00 0.00 C ATOM 2430 CD1 TYR A 163 0.001 13.694 -0.717 1.00 0.00 C ATOM 2431 CD2 TYR A 163 1.845 13.311 0.743 1.00 0.00 C ATOM 2432 CE1 TYR A 163 0.868 14.115 -1.709 1.00 0.00 C ATOM 2433 CE2 TYR A 163 2.718 13.730 -0.242 1.00 0.00 C ATOM 2434 CZ TYR A 163 2.225 14.131 -1.466 1.00 0.00 C ATOM 2435 OH TYR A 163 3.091 14.549 -2.450 1.00 0.00 O ATOM 0 H TYR A 163 0.323 10.525 0.139 1.00 0.00 H new ATOM 0 HA TYR A 163 -1.694 11.161 2.196 1.00 0.00 H new ATOM 0 HB2 TYR A 163 -1.262 13.574 1.729 1.00 0.00 H new ATOM 0 HB3 TYR A 163 0.061 12.771 2.551 1.00 0.00 H new ATOM 0 HD1 TYR A 163 -1.061 13.682 -0.911 1.00 0.00 H new ATOM 0 HD2 TYR A 163 2.235 12.997 1.700 1.00 0.00 H new ATOM 0 HE1 TYR A 163 0.484 14.429 -2.668 1.00 0.00 H new ATOM 0 HE2 TYR A 163 3.782 13.744 -0.055 1.00 0.00 H new ATOM 0 HH TYR A 163 4.012 14.501 -2.118 1.00 0.00 H new ATOM 2445 N GLN A 164 -3.288 12.063 0.395 1.00 0.00 N ATOM 2446 CA GLN A 164 -4.291 12.220 -0.652 1.00 0.00 C ATOM 2447 C GLN A 164 -4.802 13.656 -0.706 1.00 0.00 C ATOM 2448 O GLN A 164 -6.009 13.895 -0.773 1.00 0.00 O ATOM 2449 CB GLN A 164 -5.457 11.257 -0.418 1.00 0.00 C ATOM 2450 CG GLN A 164 -5.051 9.791 -0.451 1.00 0.00 C ATOM 2451 CD GLN A 164 -6.035 8.931 -1.220 1.00 0.00 C ATOM 2452 OE1 GLN A 164 -6.301 9.174 -2.398 1.00 0.00 O ATOM 2453 NE2 GLN A 164 -6.580 7.919 -0.555 1.00 0.00 N ATOM 0 H GLN A 164 -3.599 12.350 1.323 1.00 0.00 H new ATOM 0 HA GLN A 164 -3.823 11.986 -1.608 1.00 0.00 H new ATOM 0 HB2 GLN A 164 -5.912 11.478 0.548 1.00 0.00 H new ATOM 0 HB3 GLN A 164 -6.220 11.432 -1.177 1.00 0.00 H new ATOM 0 HG2 GLN A 164 -4.064 9.701 -0.904 1.00 0.00 H new ATOM 0 HG3 GLN A 164 -4.968 9.418 0.570 1.00 0.00 H new ATOM 0 HE21 GLN A 164 -6.330 7.756 0.420 1.00 0.00 H new ATOM 0 HE22 GLN A 164 -7.249 7.305 -1.019 1.00 0.00 H new ATOM 2724 N LEU A 184 -4.177 10.362 5.087 1.00 0.00 N ATOM 2725 CA LEU A 184 -2.754 10.048 5.037 1.00 0.00 C ATOM 2726 C LEU A 184 -2.462 8.754 5.792 1.00 0.00 C ATOM 2727 O LEU A 184 -3.232 8.347 6.661 1.00 0.00 O ATOM 2728 CB LEU A 184 -1.934 11.196 5.630 1.00 0.00 C ATOM 2729 CG LEU A 184 -2.097 12.541 4.919 1.00 0.00 C ATOM 2730 CD1 LEU A 184 -3.467 13.137 5.212 1.00 0.00 C ATOM 2731 CD2 LEU A 184 -0.993 13.501 5.335 1.00 0.00 C ATOM 0 HA LEU A 184 -2.471 9.914 3.993 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -2.213 11.319 6.677 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -0.880 10.917 5.611 1.00 0.00 H new ATOM 0 HG LEU A 184 -2.019 12.375 3.845 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -3.565 14.093 4.698 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -4.243 12.456 4.862 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -3.575 13.289 6.286 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -1.125 14.452 4.820 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -1.038 13.663 6.412 1.00 0.00 H new ATOM 0 HD23 LEU A 184 -0.024 13.077 5.072 1.00 0.00 H new ATOM 2743 N SER A 185 -1.348 8.111 5.454 1.00 0.00 N ATOM 2744 CA SER A 185 -0.968 6.861 6.104 1.00 0.00 C ATOM 2745 C SER A 185 0.545 6.670 6.095 1.00 0.00 C ATOM 2746 O SER A 185 1.249 7.212 5.239 1.00 0.00 O ATOM 2747 CB SER A 185 -1.645 5.679 5.409 1.00 0.00 C ATOM 2748 OG SER A 185 -2.903 6.052 4.874 1.00 0.00 O ATOM 0 H SER A 185 -0.696 8.432 4.738 1.00 0.00 H new ATOM 0 HA SER A 185 -1.299 6.909 7.141 1.00 0.00 H new ATOM 0 HB2 SER A 185 -1.003 5.307 4.611 1.00 0.00 H new ATOM 0 HB3 SER A 185 -1.776 4.863 6.119 1.00 0.00 H new ATOM 0 HG SER A 185 -3.583 5.405 5.156 1.00 0.00 H new ATOM 2754 N LEU A 186 1.037 5.885 7.052 1.00 0.00 N ATOM 2755 CA LEU A 186 2.467 5.607 7.157 1.00 0.00 C ATOM 2756 C LEU A 186 2.734 4.126 6.912 1.00 0.00 C ATOM 2757 O LEU A 186 2.061 3.267 7.482 1.00 0.00 O ATOM 2758 CB LEU A 186 2.999 6.006 8.538 1.00 0.00 C ATOM 2759 CG LEU A 186 2.332 7.229 9.173 1.00 0.00 C ATOM 2760 CD1 LEU A 186 1.355 6.802 10.259 1.00 0.00 C ATOM 2761 CD2 LEU A 186 3.381 8.175 9.744 1.00 0.00 C ATOM 0 H LEU A 186 0.466 5.431 7.765 1.00 0.00 H new ATOM 0 HA LEU A 186 2.984 6.197 6.400 1.00 0.00 H new ATOM 0 HB2 LEU A 186 2.881 5.158 9.213 1.00 0.00 H new ATOM 0 HB3 LEU A 186 4.068 6.200 8.454 1.00 0.00 H new ATOM 0 HG LEU A 186 1.777 7.757 8.398 1.00 0.00 H new ATOM 0 HD11 LEU A 186 0.891 7.685 10.699 1.00 0.00 H new ATOM 0 HD12 LEU A 186 0.584 6.165 9.825 1.00 0.00 H new ATOM 0 HD13 LEU A 186 1.889 6.250 11.032 1.00 0.00 H new ATOM 0 HD21 LEU A 186 2.888 9.038 10.191 1.00 0.00 H new ATOM 0 HD22 LEU A 186 3.964 7.656 10.505 1.00 0.00 H new ATOM 0 HD23 LEU A 186 4.043 8.509 8.945 1.00 0.00 H new ATOM 2773 N GLY A 187 3.709 3.827 6.059 1.00 0.00 N ATOM 2774 CA GLY A 187 4.019 2.440 5.767 1.00 0.00 C ATOM 2775 C GLY A 187 5.491 2.195 5.509 1.00 0.00 C ATOM 2776 O GLY A 187 6.267 3.134 5.329 1.00 0.00 O ATOM 0 H GLY A 187 4.284 4.512 5.570 1.00 0.00 H new ATOM 0 HA2 GLY A 187 3.696 1.819 6.603 1.00 0.00 H new ATOM 0 HA3 GLY A 187 3.447 2.123 4.895 1.00 0.00 H new ATOM 2780 N VAL A 188 5.870 0.921 5.481 1.00 0.00 N ATOM 2781 CA VAL A 188 7.252 0.529 5.233 1.00 0.00 C ATOM 2782 C VAL A 188 7.319 -0.491 4.102 1.00 0.00 C ATOM 2783 O VAL A 188 6.459 -1.366 3.997 1.00 0.00 O ATOM 2784 CB VAL A 188 7.920 -0.062 6.494 1.00 0.00 C ATOM 2785 CG1 VAL A 188 8.513 1.044 7.355 1.00 0.00 C ATOM 2786 CG2 VAL A 188 6.930 -0.895 7.299 1.00 0.00 C ATOM 0 H VAL A 188 5.233 0.138 5.628 1.00 0.00 H new ATOM 0 HA VAL A 188 7.795 1.431 4.951 1.00 0.00 H new ATOM 0 HB VAL A 188 8.728 -0.718 6.170 1.00 0.00 H new ATOM 0 HG11 VAL A 188 8.979 0.607 8.238 1.00 0.00 H new ATOM 0 HG12 VAL A 188 9.263 1.589 6.781 1.00 0.00 H new ATOM 0 HG13 VAL A 188 7.723 1.729 7.663 1.00 0.00 H new ATOM 0 HG21 VAL A 188 7.427 -1.299 8.181 1.00 0.00 H new ATOM 0 HG22 VAL A 188 6.094 -0.268 7.609 1.00 0.00 H new ATOM 0 HG23 VAL A 188 6.560 -1.715 6.684 1.00 0.00 H new ATOM 2796 N SER A 189 8.332 -0.372 3.249 1.00 0.00 N ATOM 2797 CA SER A 189 8.481 -1.288 2.123 1.00 0.00 C ATOM 2798 C SER A 189 9.947 -1.582 1.832 1.00 0.00 C ATOM 2799 O SER A 189 10.844 -1.004 2.445 1.00 0.00 O ATOM 2800 CB SER A 189 7.813 -0.703 0.877 1.00 0.00 C ATOM 2801 OG SER A 189 6.849 0.276 1.225 1.00 0.00 O ATOM 0 H SER A 189 9.056 0.343 3.315 1.00 0.00 H new ATOM 0 HA SER A 189 7.995 -2.226 2.391 1.00 0.00 H new ATOM 0 HB2 SER A 189 8.569 -0.259 0.230 1.00 0.00 H new ATOM 0 HB3 SER A 189 7.336 -1.501 0.308 1.00 0.00 H new ATOM 0 HG SER A 189 6.438 0.635 0.411 1.00 0.00 H new ATOM 2807 N TYR A 190 10.178 -2.489 0.888 1.00 0.00 N ATOM 2808 CA TYR A 190 11.529 -2.869 0.502 1.00 0.00 C ATOM 2809 C TYR A 190 11.593 -3.196 -0.987 1.00 0.00 C ATOM 2810 O TYR A 190 10.585 -3.559 -1.596 1.00 0.00 O ATOM 2811 CB TYR A 190 11.998 -4.072 1.321 1.00 0.00 C ATOM 2812 CG TYR A 190 11.092 -5.276 1.202 1.00 0.00 C ATOM 2813 CD1 TYR A 190 11.093 -6.060 0.053 1.00 0.00 C ATOM 2814 CD2 TYR A 190 10.234 -5.630 2.237 1.00 0.00 C ATOM 2815 CE1 TYR A 190 10.265 -7.161 -0.059 1.00 0.00 C ATOM 2816 CE2 TYR A 190 9.404 -6.730 2.130 1.00 0.00 C ATOM 2817 CZ TYR A 190 9.423 -7.492 0.981 1.00 0.00 C ATOM 2818 OH TYR A 190 8.598 -8.587 0.872 1.00 0.00 O ATOM 0 H TYR A 190 9.442 -2.975 0.375 1.00 0.00 H new ATOM 0 HA TYR A 190 12.190 -2.025 0.702 1.00 0.00 H new ATOM 0 HB2 TYR A 190 13.002 -4.350 1.000 1.00 0.00 H new ATOM 0 HB3 TYR A 190 12.067 -3.782 2.369 1.00 0.00 H new ATOM 0 HD1 TYR A 190 11.751 -5.804 -0.764 1.00 0.00 H new ATOM 0 HD2 TYR A 190 10.216 -5.036 3.139 1.00 0.00 H new ATOM 0 HE1 TYR A 190 10.278 -7.760 -0.958 1.00 0.00 H new ATOM 0 HE2 TYR A 190 8.743 -6.992 2.943 1.00 0.00 H new ATOM 0 HH TYR A 190 8.070 -8.682 1.692 1.00 0.00 H new ATOM 2828 N ARG A 191 12.783 -3.067 -1.566 1.00 0.00 N ATOM 2829 CA ARG A 191 12.978 -3.349 -2.982 1.00 0.00 C ATOM 2830 C ARG A 191 13.805 -4.615 -3.175 1.00 0.00 C ATOM 2831 O ARG A 191 14.661 -4.941 -2.352 1.00 0.00 O ATOM 2832 CB ARG A 191 13.664 -2.167 -3.669 1.00 0.00 C ATOM 2833 CG ARG A 191 14.963 -1.748 -3.000 1.00 0.00 C ATOM 2834 CD ARG A 191 15.879 -1.017 -3.969 1.00 0.00 C ATOM 2835 NE ARG A 191 15.851 0.429 -3.763 1.00 0.00 N ATOM 2836 CZ ARG A 191 16.274 1.314 -4.663 1.00 0.00 C ATOM 2837 NH1 ARG A 191 16.755 0.907 -5.829 1.00 0.00 N ATOM 2838 NH2 ARG A 191 16.213 2.611 -4.394 1.00 0.00 N ATOM 0 H ARG A 191 13.626 -2.769 -1.075 1.00 0.00 H new ATOM 0 HA ARG A 191 11.999 -3.504 -3.435 1.00 0.00 H new ATOM 0 HB2 ARG A 191 13.867 -2.428 -4.707 1.00 0.00 H new ATOM 0 HB3 ARG A 191 12.981 -1.318 -3.682 1.00 0.00 H new ATOM 0 HG2 ARG A 191 14.744 -1.103 -2.149 1.00 0.00 H new ATOM 0 HG3 ARG A 191 15.473 -2.629 -2.610 1.00 0.00 H new ATOM 0 HD2 ARG A 191 16.899 -1.381 -3.848 1.00 0.00 H new ATOM 0 HD3 ARG A 191 15.579 -1.243 -4.992 1.00 0.00 H new ATOM 0 HE ARG A 191 15.486 0.781 -2.878 1.00 0.00 H new ATOM 0 HH11 ARG A 191 16.803 -0.090 -6.041 1.00 0.00 H new ATOM 0 HH12 ARG A 191 17.077 1.590 -6.514 1.00 0.00 H new ATOM 0 HH21 ARG A 191 15.842 2.929 -3.499 1.00 0.00 H new ATOM 0 HH22 ARG A 191 16.537 3.290 -5.082 1.00 0.00 H new