USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 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 18 THR OG1 : rot -38:sc= 0.0475 USER MOD Set 1.2: A 20 TYR OH : rot -14:sc= 0.00184 USER MOD Single : A 24 LYS NZ :NH3+ -154:sc= -1.81! (180deg=-4.65!) USER MOD Single : A 60 TYR OH : rot 89:sc= 1.01 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 70 MET CE :methyl 171:sc= 0 (180deg=-0.03) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 97 THR OG1 : rot -160:sc= -0.147 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 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 MET CE :methyl -151:sc= -0.351 (180deg=-0.709) USER MOD Single : A 142 SER OG : rot 43:sc= 0.0416 USER MOD Single : A 159 THR OG1 : rot 101:sc= 0.313 USER MOD Single : A 163 TYR OH : rot 180:sc= 0 USER MOD Single : A 164 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 185 SER OG : rot 35:sc= 0.602 USER MOD Single : A 189 SER OG : rot 180:sc= 0 USER MOD Single : A 190 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 275 N THR A 18 12.437 -4.138 -11.872 1.00 0.00 N ATOM 276 CA THR A 18 12.577 -4.069 -10.422 1.00 0.00 C ATOM 277 C THR A 18 11.312 -4.563 -9.729 1.00 0.00 C ATOM 278 O THR A 18 10.341 -4.943 -10.386 1.00 0.00 O ATOM 279 CB THR A 18 12.886 -2.636 -9.986 1.00 0.00 C ATOM 280 OG1 THR A 18 12.302 -1.704 -10.877 1.00 0.00 O ATOM 281 CG2 THR A 18 14.370 -2.338 -9.917 1.00 0.00 C ATOM 0 HA THR A 18 13.405 -4.716 -10.131 1.00 0.00 H new ATOM 0 HB THR A 18 12.466 -2.542 -8.985 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.364 -2.045 -11.794 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.519 -1.305 -9.602 1.00 0.00 H new ATOM 0 HG22 THR A 18 14.843 -3.009 -9.199 1.00 0.00 H new ATOM 0 HG23 THR A 18 14.817 -2.485 -10.900 1.00 0.00 H new ATOM 289 N TRP A 19 11.328 -4.556 -8.400 1.00 0.00 N ATOM 290 CA TRP A 19 10.180 -5.006 -7.621 1.00 0.00 C ATOM 291 C TRP A 19 10.121 -4.288 -6.276 1.00 0.00 C ATOM 292 O TRP A 19 11.112 -4.230 -5.548 1.00 0.00 O ATOM 293 CB TRP A 19 10.247 -6.519 -7.405 1.00 0.00 C ATOM 294 CG TRP A 19 8.936 -7.210 -7.622 1.00 0.00 C ATOM 295 CD1 TRP A 19 8.047 -6.981 -8.633 1.00 0.00 C ATOM 296 CD2 TRP A 19 8.365 -8.243 -6.811 1.00 0.00 C ATOM 297 NE1 TRP A 19 6.959 -7.809 -8.500 1.00 0.00 N ATOM 298 CE2 TRP A 19 7.130 -8.593 -7.389 1.00 0.00 C ATOM 299 CE3 TRP A 19 8.779 -8.905 -5.652 1.00 0.00 C ATOM 300 CZ2 TRP A 19 6.305 -9.575 -6.848 1.00 0.00 C ATOM 301 CZ3 TRP A 19 7.959 -9.882 -5.115 1.00 0.00 C ATOM 302 CH2 TRP A 19 6.734 -10.209 -5.712 1.00 0.00 C ATOM 0 H TRP A 19 12.122 -4.244 -7.841 1.00 0.00 H new ATOM 0 HA TRP A 19 9.275 -4.766 -8.179 1.00 0.00 H new ATOM 0 HB2 TRP A 19 10.989 -6.943 -8.082 1.00 0.00 H new ATOM 0 HB3 TRP A 19 10.591 -6.719 -6.390 1.00 0.00 H new ATOM 0 HD1 TRP A 19 8.180 -6.255 -9.422 1.00 0.00 H new ATOM 0 HE1 TRP A 19 6.154 -7.836 -9.126 1.00 0.00 H new ATOM 0 HE3 TRP A 19 9.721 -8.659 -5.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 5.361 -9.828 -7.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 8.269 -10.402 -4.220 1.00 0.00 H new ATOM 0 HH2 TRP A 19 6.116 -10.976 -5.268 1.00 0.00 H new ATOM 313 N TYR A 20 8.953 -3.744 -5.950 1.00 0.00 N ATOM 314 CA TYR A 20 8.766 -3.032 -4.691 1.00 0.00 C ATOM 315 C TYR A 20 7.507 -3.515 -3.979 1.00 0.00 C ATOM 316 O TYR A 20 6.460 -3.690 -4.603 1.00 0.00 O ATOM 317 CB TYR A 20 8.679 -1.526 -4.940 1.00 0.00 C ATOM 318 CG TYR A 20 9.761 -0.997 -5.856 1.00 0.00 C ATOM 319 CD1 TYR A 20 9.784 -1.335 -7.204 1.00 0.00 C ATOM 320 CD2 TYR A 20 10.759 -0.161 -5.373 1.00 0.00 C ATOM 321 CE1 TYR A 20 10.770 -0.855 -8.044 1.00 0.00 C ATOM 322 CE2 TYR A 20 11.750 0.324 -6.208 1.00 0.00 C ATOM 323 CZ TYR A 20 11.751 -0.026 -7.541 1.00 0.00 C ATOM 324 OH TYR A 20 12.735 0.453 -8.374 1.00 0.00 O ATOM 0 H TYR A 20 8.122 -3.783 -6.540 1.00 0.00 H new ATOM 0 HA TYR A 20 9.626 -3.237 -4.053 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.705 -1.294 -5.371 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.737 -1.005 -3.984 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.018 -1.984 -7.602 1.00 0.00 H new ATOM 0 HD2 TYR A 20 10.762 0.115 -4.329 1.00 0.00 H new ATOM 0 HE1 TYR A 20 10.773 -1.127 -9.089 1.00 0.00 H new ATOM 0 HE2 TYR A 20 12.519 0.974 -5.817 1.00 0.00 H new ATOM 0 HH TYR A 20 12.729 -0.054 -9.213 1.00 0.00 H new ATOM 334 N ALA A 21 7.614 -3.734 -2.672 1.00 0.00 N ATOM 335 CA ALA A 21 6.476 -4.201 -1.885 1.00 0.00 C ATOM 336 C ALA A 21 6.573 -3.733 -0.438 1.00 0.00 C ATOM 337 O ALA A 21 7.653 -3.723 0.151 1.00 0.00 O ATOM 338 CB ALA A 21 6.382 -5.717 -1.946 1.00 0.00 C ATOM 0 H ALA A 21 8.472 -3.597 -2.137 1.00 0.00 H new ATOM 0 HA ALA A 21 5.571 -3.772 -2.314 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.530 -6.053 -1.355 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.253 -6.032 -2.981 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.296 -6.155 -1.545 1.00 0.00 H new ATOM 344 N GLY A 22 5.436 -3.347 0.132 1.00 0.00 N ATOM 345 CA GLY A 22 5.415 -2.884 1.507 1.00 0.00 C ATOM 346 C GLY A 22 4.008 -2.747 2.057 1.00 0.00 C ATOM 347 O GLY A 22 3.031 -2.901 1.326 1.00 0.00 O ATOM 0 H GLY A 22 4.529 -3.347 -0.334 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.978 -3.580 2.129 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.921 -1.920 1.569 1.00 0.00 H new ATOM 351 N GLY A 23 3.909 -2.452 3.349 1.00 0.00 N ATOM 352 CA GLY A 23 2.611 -2.294 3.980 1.00 0.00 C ATOM 353 C GLY A 23 2.474 -0.960 4.688 1.00 0.00 C ATOM 354 O GLY A 23 3.428 -0.475 5.305 1.00 0.00 O ATOM 0 H GLY A 23 4.706 -2.319 3.972 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.829 -2.384 3.226 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.457 -3.101 4.697 1.00 0.00 H new ATOM 358 N LYS A 24 1.287 -0.362 4.595 1.00 0.00 N ATOM 359 CA LYS A 24 1.034 0.926 5.229 1.00 0.00 C ATOM 360 C LYS A 24 -0.254 0.902 6.045 1.00 0.00 C ATOM 361 O LYS A 24 -1.204 0.190 5.714 1.00 0.00 O ATOM 362 CB LYS A 24 0.958 2.031 4.174 1.00 0.00 C ATOM 363 CG LYS A 24 -0.189 1.858 3.192 1.00 0.00 C ATOM 364 CD LYS A 24 -0.357 3.085 2.312 1.00 0.00 C ATOM 365 CE LYS A 24 0.571 3.039 1.109 1.00 0.00 C ATOM 366 NZ LYS A 24 1.925 3.569 1.433 1.00 0.00 N ATOM 0 H LYS A 24 0.490 -0.749 4.089 1.00 0.00 H new ATOM 0 HA LYS A 24 1.863 1.129 5.907 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.854 2.993 4.675 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.897 2.059 3.621 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.006 0.983 2.568 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.113 1.672 3.739 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.391 3.152 1.973 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.154 3.983 2.895 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.658 2.011 0.756 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.139 3.620 0.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.372 3.933 0.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.840 4.338 2.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.510 2.807 1.830 1.00 0.00 H new ATOM 380 N LEU A 25 -0.277 1.692 7.113 1.00 0.00 N ATOM 381 CA LEU A 25 -1.441 1.779 7.987 1.00 0.00 C ATOM 382 C LEU A 25 -1.863 3.235 8.173 1.00 0.00 C ATOM 383 O LEU A 25 -1.044 4.150 8.053 1.00 0.00 O ATOM 384 CB LEU A 25 -1.134 1.141 9.346 1.00 0.00 C ATOM 385 CG LEU A 25 -2.209 1.337 10.421 1.00 0.00 C ATOM 386 CD1 LEU A 25 -3.445 0.512 10.098 1.00 0.00 C ATOM 387 CD2 LEU A 25 -1.664 0.968 11.793 1.00 0.00 C ATOM 0 H LEU A 25 0.503 2.285 7.395 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.263 1.236 7.521 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.980 0.072 9.200 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.194 1.550 9.717 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.493 2.389 10.435 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.197 0.664 10.872 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.849 0.823 9.134 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.177 -0.544 10.055 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.441 1.113 12.544 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.351 -0.076 11.791 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.809 1.602 12.028 1.00 0.00 H new ATOM 399 N GLY A 26 -3.145 3.443 8.463 1.00 0.00 N ATOM 400 CA GLY A 26 -3.653 4.786 8.659 1.00 0.00 C ATOM 401 C GLY A 26 -4.879 4.818 9.550 1.00 0.00 C ATOM 402 O GLY A 26 -5.547 3.802 9.734 1.00 0.00 O ATOM 0 H GLY A 26 -3.840 2.703 8.565 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.872 5.406 9.099 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.900 5.223 7.691 1.00 0.00 H new ATOM 799 N GLY A 53 -7.353 1.458 9.727 1.00 0.00 N ATOM 800 CA GLY A 53 -7.342 0.668 8.509 1.00 0.00 C ATOM 801 C GLY A 53 -5.938 0.407 8.003 1.00 0.00 C ATOM 802 O GLY A 53 -5.098 1.307 7.993 1.00 0.00 O ATOM 0 HA2 GLY A 53 -7.842 -0.283 8.691 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.913 1.186 7.738 1.00 0.00 H new ATOM 806 N ALA A 54 -5.681 -0.828 7.584 1.00 0.00 N ATOM 807 CA ALA A 54 -4.367 -1.203 7.077 1.00 0.00 C ATOM 808 C ALA A 54 -4.452 -1.693 5.637 1.00 0.00 C ATOM 809 O ALA A 54 -5.459 -2.267 5.224 1.00 0.00 O ATOM 810 CB ALA A 54 -3.745 -2.271 7.964 1.00 0.00 C ATOM 0 H ALA A 54 -6.365 -1.585 7.586 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.733 -0.317 7.094 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.764 -2.542 7.574 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.638 -1.885 8.978 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.386 -3.152 7.977 1.00 0.00 H new ATOM 816 N GLY A 55 -3.387 -1.464 4.876 1.00 0.00 N ATOM 817 CA GLY A 55 -3.363 -1.892 3.491 1.00 0.00 C ATOM 818 C GLY A 55 -1.956 -2.137 2.987 1.00 0.00 C ATOM 819 O GLY A 55 -0.999 -1.532 3.473 1.00 0.00 O ATOM 0 H GLY A 55 -2.541 -0.990 5.194 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.948 -2.806 3.386 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.841 -1.134 2.871 1.00 0.00 H new ATOM 823 N ALA A 56 -1.826 -3.029 2.012 1.00 0.00 N ATOM 824 CA ALA A 56 -0.524 -3.354 1.442 1.00 0.00 C ATOM 825 C ALA A 56 -0.363 -2.737 0.058 1.00 0.00 C ATOM 826 O ALA A 56 -1.335 -2.588 -0.682 1.00 0.00 O ATOM 827 CB ALA A 56 -0.341 -4.862 1.375 1.00 0.00 C ATOM 0 H ALA A 56 -2.606 -3.540 1.600 1.00 0.00 H new ATOM 0 HA ALA A 56 0.246 -2.934 2.090 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.635 -5.091 0.948 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.405 -5.281 2.379 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.122 -5.296 0.750 1.00 0.00 H new ATOM 833 N PHE A 57 0.869 -2.378 -0.285 1.00 0.00 N ATOM 834 CA PHE A 57 1.154 -1.775 -1.581 1.00 0.00 C ATOM 835 C PHE A 57 2.399 -2.391 -2.213 1.00 0.00 C ATOM 836 O PHE A 57 3.497 -2.300 -1.666 1.00 0.00 O ATOM 837 CB PHE A 57 1.333 -0.264 -1.438 1.00 0.00 C ATOM 838 CG PHE A 57 2.458 0.125 -0.521 1.00 0.00 C ATOM 839 CD1 PHE A 57 2.282 0.117 0.853 1.00 0.00 C ATOM 840 CD2 PHE A 57 3.689 0.500 -1.033 1.00 0.00 C ATOM 841 CE1 PHE A 57 3.313 0.475 1.700 1.00 0.00 C ATOM 842 CE2 PHE A 57 4.724 0.860 -0.192 1.00 0.00 C ATOM 843 CZ PHE A 57 4.537 0.848 1.176 1.00 0.00 C ATOM 0 H PHE A 57 1.685 -2.494 0.316 1.00 0.00 H new ATOM 0 HA PHE A 57 0.305 -1.972 -2.236 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.513 0.167 -2.423 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.405 0.170 -1.065 1.00 0.00 H new ATOM 0 HD1 PHE A 57 1.327 -0.173 1.267 1.00 0.00 H new ATOM 0 HD2 PHE A 57 3.841 0.511 -2.102 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.163 0.464 2.770 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.679 1.151 -0.604 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.345 1.129 1.835 1.00 0.00 H new ATOM 853 N GLY A 58 2.215 -3.015 -3.371 1.00 0.00 N ATOM 854 CA GLY A 58 3.324 -3.637 -4.070 1.00 0.00 C ATOM 855 C GLY A 58 3.205 -3.488 -5.573 1.00 0.00 C ATOM 856 O GLY A 58 2.161 -3.791 -6.150 1.00 0.00 O ATOM 0 H GLY A 58 1.313 -3.101 -3.840 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.260 -3.190 -3.735 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.366 -4.695 -3.813 1.00 0.00 H new ATOM 860 N GLY A 59 4.271 -3.012 -6.209 1.00 0.00 N ATOM 861 CA GLY A 59 4.247 -2.827 -7.647 1.00 0.00 C ATOM 862 C GLY A 59 5.522 -3.289 -8.324 1.00 0.00 C ATOM 863 O GLY A 59 6.520 -3.577 -7.660 1.00 0.00 O ATOM 0 H GLY A 59 5.147 -2.752 -5.756 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.402 -3.374 -8.064 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.085 -1.772 -7.870 1.00 0.00 H new ATOM 867 N TYR A 60 5.486 -3.359 -9.650 1.00 0.00 N ATOM 868 CA TYR A 60 6.642 -3.788 -10.429 1.00 0.00 C ATOM 869 C TYR A 60 6.869 -2.861 -11.619 1.00 0.00 C ATOM 870 O TYR A 60 5.928 -2.505 -12.331 1.00 0.00 O ATOM 871 CB TYR A 60 6.449 -5.225 -10.915 1.00 0.00 C ATOM 872 CG TYR A 60 5.238 -5.408 -11.802 1.00 0.00 C ATOM 873 CD1 TYR A 60 3.962 -5.485 -11.258 1.00 0.00 C ATOM 874 CD2 TYR A 60 5.371 -5.503 -13.181 1.00 0.00 C ATOM 875 CE1 TYR A 60 2.851 -5.653 -12.064 1.00 0.00 C ATOM 876 CE2 TYR A 60 4.265 -5.668 -13.994 1.00 0.00 C ATOM 877 CZ TYR A 60 3.009 -5.743 -13.431 1.00 0.00 C ATOM 878 OH TYR A 60 1.905 -5.909 -14.237 1.00 0.00 O ATOM 0 H TYR A 60 4.666 -3.123 -10.209 1.00 0.00 H new ATOM 0 HA TYR A 60 7.521 -3.745 -9.786 1.00 0.00 H new ATOM 0 HB2 TYR A 60 7.339 -5.537 -11.461 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.358 -5.883 -10.051 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.836 -5.412 -10.188 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.354 -5.447 -13.625 1.00 0.00 H new ATOM 0 HE1 TYR A 60 1.866 -5.713 -11.626 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.385 -5.738 -15.065 1.00 0.00 H new ATOM 0 HH TYR A 60 1.544 -5.031 -14.483 1.00 0.00 H new ATOM 888 N GLN A 61 8.121 -2.473 -11.828 1.00 0.00 N ATOM 889 CA GLN A 61 8.477 -1.587 -12.931 1.00 0.00 C ATOM 890 C GLN A 61 8.746 -2.386 -14.203 1.00 0.00 C ATOM 891 O GLN A 61 9.405 -3.426 -14.165 1.00 0.00 O ATOM 892 CB GLN A 61 9.708 -0.758 -12.565 1.00 0.00 C ATOM 893 CG GLN A 61 10.023 0.341 -13.568 1.00 0.00 C ATOM 894 CD GLN A 61 11.203 1.195 -13.144 1.00 0.00 C ATOM 895 OE1 GLN A 61 11.549 1.253 -11.964 1.00 0.00 O ATOM 896 NE2 GLN A 61 11.826 1.863 -14.107 1.00 0.00 N ATOM 0 H GLN A 61 8.909 -2.758 -11.247 1.00 0.00 H new ATOM 0 HA GLN A 61 7.637 -0.917 -13.115 1.00 0.00 H new ATOM 0 HB2 GLN A 61 9.555 -0.309 -11.584 1.00 0.00 H new ATOM 0 HB3 GLN A 61 10.570 -1.420 -12.482 1.00 0.00 H new ATOM 0 HG2 GLN A 61 10.234 -0.107 -14.539 1.00 0.00 H new ATOM 0 HG3 GLN A 61 9.146 0.976 -13.694 1.00 0.00 H new ATOM 0 HE21 GLN A 61 11.505 1.785 -15.072 1.00 0.00 H new ATOM 0 HE22 GLN A 61 12.626 2.454 -13.882 1.00 0.00 H new ATOM 970 N LEU A 66 7.084 4.252 -15.872 1.00 0.00 N ATOM 971 CA LEU A 66 6.166 3.914 -14.792 1.00 0.00 C ATOM 972 C LEU A 66 5.991 2.405 -14.664 1.00 0.00 C ATOM 973 O LEU A 66 6.335 1.649 -15.572 1.00 0.00 O ATOM 974 CB LEU A 66 4.807 4.573 -15.036 1.00 0.00 C ATOM 975 CG LEU A 66 4.270 4.429 -16.464 1.00 0.00 C ATOM 976 CD1 LEU A 66 3.063 3.502 -16.492 1.00 0.00 C ATOM 977 CD2 LEU A 66 3.910 5.790 -17.042 1.00 0.00 C ATOM 0 HA LEU A 66 6.592 4.287 -13.860 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.082 4.144 -14.345 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.885 5.634 -14.798 1.00 0.00 H new ATOM 0 HG LEU A 66 5.055 3.991 -17.081 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.696 3.413 -17.515 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.351 2.518 -16.123 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.276 3.911 -15.859 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.531 5.666 -18.056 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.144 6.257 -16.423 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.797 6.423 -17.061 1.00 0.00 H new ATOM 989 N GLY A 67 5.449 1.975 -13.528 1.00 0.00 N ATOM 990 CA GLY A 67 5.230 0.560 -13.298 1.00 0.00 C ATOM 991 C GLY A 67 3.850 0.273 -12.740 1.00 0.00 C ATOM 992 O GLY A 67 3.093 1.195 -12.436 1.00 0.00 O ATOM 0 H GLY A 67 5.158 2.583 -12.763 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.360 0.018 -14.235 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.984 0.186 -12.606 1.00 0.00 H new ATOM 996 N PHE A 68 3.520 -1.008 -12.604 1.00 0.00 N ATOM 997 CA PHE A 68 2.220 -1.409 -12.077 1.00 0.00 C ATOM 998 C PHE A 68 2.231 -1.402 -10.552 1.00 0.00 C ATOM 999 O PHE A 68 3.242 -1.729 -9.930 1.00 0.00 O ATOM 1000 CB PHE A 68 1.845 -2.800 -12.593 1.00 0.00 C ATOM 1001 CG PHE A 68 0.858 -2.774 -13.726 1.00 0.00 C ATOM 1002 CD1 PHE A 68 -0.501 -2.662 -13.474 1.00 0.00 C ATOM 1003 CD2 PHE A 68 1.289 -2.861 -15.040 1.00 0.00 C ATOM 1004 CE1 PHE A 68 -1.411 -2.637 -14.514 1.00 0.00 C ATOM 1005 CE2 PHE A 68 0.382 -2.838 -16.083 1.00 0.00 C ATOM 1006 CZ PHE A 68 -0.969 -2.725 -15.820 1.00 0.00 C ATOM 0 H PHE A 68 4.134 -1.785 -12.851 1.00 0.00 H new ATOM 0 HA PHE A 68 1.475 -0.691 -12.421 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.749 -3.313 -12.921 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.428 -3.383 -11.772 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.852 -2.594 -12.455 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.345 -2.948 -15.252 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.467 -2.549 -14.306 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.730 -2.908 -17.103 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.679 -2.705 -16.634 1.00 0.00 H new ATOM 1016 N GLU A 69 1.106 -1.026 -9.953 1.00 0.00 N ATOM 1017 CA GLU A 69 0.997 -0.976 -8.500 1.00 0.00 C ATOM 1018 C GLU A 69 -0.225 -1.749 -8.013 1.00 0.00 C ATOM 1019 O GLU A 69 -1.349 -1.491 -8.444 1.00 0.00 O ATOM 1020 CB GLU A 69 0.918 0.474 -8.023 1.00 0.00 C ATOM 1021 CG GLU A 69 1.601 0.712 -6.687 1.00 0.00 C ATOM 1022 CD GLU A 69 0.998 -0.117 -5.569 1.00 0.00 C ATOM 1023 OE1 GLU A 69 -0.014 0.323 -4.984 1.00 0.00 O ATOM 1024 OE2 GLU A 69 1.538 -1.206 -5.280 1.00 0.00 O ATOM 0 H GLU A 69 0.259 -0.752 -10.450 1.00 0.00 H new ATOM 0 HA GLU A 69 1.888 -1.443 -8.081 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.372 1.120 -8.774 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.129 0.765 -7.943 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.661 0.476 -6.778 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.530 1.769 -6.430 1.00 0.00 H new ATOM 1031 N MET A 70 0.007 -2.693 -7.108 1.00 0.00 N ATOM 1032 CA MET A 70 -1.069 -3.503 -6.551 1.00 0.00 C ATOM 1033 C MET A 70 -1.369 -3.082 -5.117 1.00 0.00 C ATOM 1034 O MET A 70 -0.470 -3.010 -4.280 1.00 0.00 O ATOM 1035 CB MET A 70 -0.696 -4.985 -6.593 1.00 0.00 C ATOM 1036 CG MET A 70 -1.893 -5.911 -6.738 1.00 0.00 C ATOM 1037 SD MET A 70 -2.044 -6.599 -8.399 1.00 0.00 S ATOM 1038 CE MET A 70 -0.712 -7.796 -8.391 1.00 0.00 C ATOM 0 H MET A 70 0.933 -2.916 -6.744 1.00 0.00 H new ATOM 0 HA MET A 70 -1.963 -3.347 -7.155 1.00 0.00 H new ATOM 0 HB2 MET A 70 -0.013 -5.155 -7.425 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.158 -5.241 -5.681 1.00 0.00 H new ATOM 0 HG2 MET A 70 -1.807 -6.725 -6.018 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.803 -5.363 -6.492 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.774 -8.415 -9.286 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.245 -7.275 -8.375 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.796 -8.428 -7.507 1.00 0.00 H new ATOM 1048 N GLY A 71 -2.637 -2.800 -4.839 1.00 0.00 N ATOM 1049 CA GLY A 71 -3.028 -2.386 -3.505 1.00 0.00 C ATOM 1050 C GLY A 71 -3.845 -3.438 -2.783 1.00 0.00 C ATOM 1051 O GLY A 71 -4.591 -4.193 -3.407 1.00 0.00 O ATOM 0 H GLY A 71 -3.401 -2.851 -5.513 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -2.135 -2.162 -2.922 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.606 -1.464 -3.570 1.00 0.00 H new ATOM 1055 N TYR A 72 -3.703 -3.487 -1.463 1.00 0.00 N ATOM 1056 CA TYR A 72 -4.434 -4.451 -0.650 1.00 0.00 C ATOM 1057 C TYR A 72 -5.178 -3.747 0.480 1.00 0.00 C ATOM 1058 O TYR A 72 -4.566 -3.087 1.320 1.00 0.00 O ATOM 1059 CB TYR A 72 -3.475 -5.498 -0.078 1.00 0.00 C ATOM 1060 CG TYR A 72 -3.749 -6.902 -0.571 1.00 0.00 C ATOM 1061 CD1 TYR A 72 -5.017 -7.459 -0.467 1.00 0.00 C ATOM 1062 CD2 TYR A 72 -2.738 -7.668 -1.137 1.00 0.00 C ATOM 1063 CE1 TYR A 72 -5.270 -8.741 -0.916 1.00 0.00 C ATOM 1064 CE2 TYR A 72 -2.984 -8.952 -1.587 1.00 0.00 C ATOM 1065 CZ TYR A 72 -4.252 -9.483 -1.475 1.00 0.00 C ATOM 1066 OH TYR A 72 -4.500 -10.760 -1.922 1.00 0.00 O ATOM 0 H TYR A 72 -3.088 -2.870 -0.933 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.164 -4.952 -1.285 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -2.453 -5.223 -0.338 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.542 -5.484 1.010 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.817 -6.881 -0.029 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.744 -7.254 -1.227 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.262 -9.160 -0.829 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.188 -9.536 -2.024 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.676 -11.144 -2.289 1.00 0.00 H new ATOM 1076 N ASP A 73 -6.499 -3.891 0.494 1.00 0.00 N ATOM 1077 CA ASP A 73 -7.324 -3.265 1.520 1.00 0.00 C ATOM 1078 C ASP A 73 -7.653 -4.256 2.634 1.00 0.00 C ATOM 1079 O ASP A 73 -8.224 -5.320 2.384 1.00 0.00 O ATOM 1080 CB ASP A 73 -8.615 -2.720 0.905 1.00 0.00 C ATOM 1081 CG ASP A 73 -8.889 -1.287 1.316 1.00 0.00 C ATOM 1082 OD1 ASP A 73 -8.042 -0.414 1.026 1.00 0.00 O ATOM 1083 OD2 ASP A 73 -9.949 -1.036 1.927 1.00 0.00 O ATOM 0 H ASP A 73 -7.021 -4.435 -0.193 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.759 -2.438 1.951 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.550 -2.778 -0.182 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.452 -3.349 1.208 1.00 0.00 H new ATOM 1088 N TRP A 74 -7.289 -3.899 3.862 1.00 0.00 N ATOM 1089 CA TRP A 74 -7.544 -4.755 5.017 1.00 0.00 C ATOM 1090 C TRP A 74 -8.005 -3.929 6.215 1.00 0.00 C ATOM 1091 O TRP A 74 -7.284 -3.055 6.695 1.00 0.00 O ATOM 1092 CB TRP A 74 -6.285 -5.547 5.377 1.00 0.00 C ATOM 1093 CG TRP A 74 -6.370 -6.996 5.007 1.00 0.00 C ATOM 1094 CD1 TRP A 74 -7.281 -7.906 5.459 1.00 0.00 C ATOM 1095 CD2 TRP A 74 -5.506 -7.703 4.109 1.00 0.00 C ATOM 1096 NE1 TRP A 74 -7.038 -9.135 4.896 1.00 0.00 N ATOM 1097 CE2 TRP A 74 -5.955 -9.036 4.064 1.00 0.00 C ATOM 1098 CE3 TRP A 74 -4.399 -7.338 3.338 1.00 0.00 C ATOM 1099 CZ2 TRP A 74 -5.334 -10.004 3.279 1.00 0.00 C ATOM 1100 CZ3 TRP A 74 -3.784 -8.299 2.559 1.00 0.00 C ATOM 1101 CH2 TRP A 74 -4.253 -9.620 2.534 1.00 0.00 C ATOM 0 H TRP A 74 -6.816 -3.023 4.083 1.00 0.00 H new ATOM 0 HA TRP A 74 -8.339 -5.453 4.755 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.427 -5.101 4.874 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -6.105 -5.463 6.449 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.077 -7.691 6.157 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.577 -9.984 5.069 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.031 -6.323 3.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.693 -11.022 3.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -2.928 -8.028 1.959 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.751 -10.349 1.915 1.00 0.00 H new ATOM 1361 N GLN A 92 -11.588 -8.821 1.663 1.00 0.00 N ATOM 1362 CA GLN A 92 -10.260 -8.544 1.129 1.00 0.00 C ATOM 1363 C GLN A 92 -10.340 -7.564 -0.036 1.00 0.00 C ATOM 1364 O GLN A 92 -11.082 -7.781 -0.994 1.00 0.00 O ATOM 1365 CB GLN A 92 -9.587 -9.844 0.676 1.00 0.00 C ATOM 1366 CG GLN A 92 -8.197 -10.043 1.255 1.00 0.00 C ATOM 1367 CD GLN A 92 -7.720 -11.478 1.146 1.00 0.00 C ATOM 1368 OE1 GLN A 92 -7.703 -12.216 2.132 1.00 0.00 O ATOM 1369 NE2 GLN A 92 -7.329 -11.882 -0.057 1.00 0.00 N ATOM 0 HA GLN A 92 -9.662 -8.093 1.921 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -10.215 -10.687 0.963 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -9.523 -9.850 -0.412 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -7.495 -9.390 0.737 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -8.197 -9.743 2.303 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -7.360 -11.237 -0.847 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -6.998 -12.837 -0.192 1.00 0.00 H new ATOM 1378 N GLY A 93 -9.574 -6.481 0.053 1.00 0.00 N ATOM 1379 CA GLY A 93 -9.580 -5.484 -1.000 1.00 0.00 C ATOM 1380 C GLY A 93 -8.393 -5.606 -1.935 1.00 0.00 C ATOM 1381 O GLY A 93 -7.269 -5.847 -1.495 1.00 0.00 O ATOM 0 H GLY A 93 -8.951 -6.277 0.834 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.501 -5.577 -1.576 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.583 -4.490 -0.552 1.00 0.00 H new ATOM 1385 N VAL A 94 -8.645 -5.430 -3.228 1.00 0.00 N ATOM 1386 CA VAL A 94 -7.595 -5.511 -4.236 1.00 0.00 C ATOM 1387 C VAL A 94 -7.591 -4.254 -5.097 1.00 0.00 C ATOM 1388 O VAL A 94 -8.605 -3.903 -5.703 1.00 0.00 O ATOM 1389 CB VAL A 94 -7.756 -6.750 -5.143 1.00 0.00 C ATOM 1390 CG1 VAL A 94 -6.969 -7.926 -4.585 1.00 0.00 C ATOM 1391 CG2 VAL A 94 -9.224 -7.116 -5.307 1.00 0.00 C ATOM 0 H VAL A 94 -9.572 -5.229 -3.603 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.648 -5.601 -3.705 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.357 -6.505 -6.127 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.094 -8.790 -5.237 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.913 -7.663 -4.530 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -7.335 -8.168 -3.587 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.311 -7.992 -5.950 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.655 -7.338 -4.331 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.759 -6.280 -5.758 1.00 0.00 H new ATOM 1401 N GLN A 95 -6.454 -3.568 -5.138 1.00 0.00 N ATOM 1402 CA GLN A 95 -6.335 -2.338 -5.912 1.00 0.00 C ATOM 1403 C GLN A 95 -5.459 -2.530 -7.146 1.00 0.00 C ATOM 1404 O GLN A 95 -4.397 -3.149 -7.082 1.00 0.00 O ATOM 1405 CB GLN A 95 -5.762 -1.221 -5.035 1.00 0.00 C ATOM 1406 CG GLN A 95 -6.706 -0.043 -4.857 1.00 0.00 C ATOM 1407 CD GLN A 95 -6.034 1.148 -4.206 1.00 0.00 C ATOM 1408 OE1 GLN A 95 -5.194 1.813 -4.814 1.00 0.00 O ATOM 1409 NE2 GLN A 95 -6.399 1.426 -2.960 1.00 0.00 N ATOM 0 H GLN A 95 -5.604 -3.842 -4.646 1.00 0.00 H new ATOM 0 HA GLN A 95 -7.333 -2.062 -6.251 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -5.516 -1.630 -4.055 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.830 -0.866 -5.476 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -7.099 0.253 -5.830 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -7.557 -0.352 -4.250 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -7.099 0.849 -2.493 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -5.980 2.216 -2.470 1.00 0.00 H new ATOM 1418 N LEU A 96 -5.912 -1.973 -8.265 1.00 0.00 N ATOM 1419 CA LEU A 96 -5.179 -2.051 -9.524 1.00 0.00 C ATOM 1420 C LEU A 96 -4.868 -0.641 -10.014 1.00 0.00 C ATOM 1421 O LEU A 96 -5.758 0.063 -10.492 1.00 0.00 O ATOM 1422 CB LEU A 96 -6.004 -2.813 -10.568 1.00 0.00 C ATOM 1423 CG LEU A 96 -5.451 -2.776 -11.997 1.00 0.00 C ATOM 1424 CD1 LEU A 96 -5.474 -4.168 -12.613 1.00 0.00 C ATOM 1425 CD2 LEU A 96 -6.252 -1.804 -12.853 1.00 0.00 C ATOM 0 H LEU A 96 -6.791 -1.459 -8.325 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.244 -2.589 -9.368 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.084 -3.854 -10.254 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -7.014 -2.404 -10.577 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.417 -2.432 -11.958 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -5.078 -4.123 -13.628 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.861 -4.841 -12.014 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.499 -4.537 -12.640 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.846 -1.790 -13.864 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.294 -2.121 -12.885 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -6.190 -0.804 -12.423 1.00 0.00 H new ATOM 1437 N THR A 97 -3.615 -0.215 -9.872 1.00 0.00 N ATOM 1438 CA THR A 97 -3.234 1.130 -10.281 1.00 0.00 C ATOM 1439 C THR A 97 -1.812 1.182 -10.824 1.00 0.00 C ATOM 1440 O THR A 97 -1.054 0.217 -10.723 1.00 0.00 O ATOM 1441 CB THR A 97 -3.354 2.092 -9.094 1.00 0.00 C ATOM 1442 OG1 THR A 97 -2.203 2.018 -8.270 1.00 0.00 O ATOM 1443 CG2 THR A 97 -4.559 1.827 -8.217 1.00 0.00 C ATOM 0 H THR A 97 -2.857 -0.775 -9.482 1.00 0.00 H new ATOM 0 HA THR A 97 -3.913 1.429 -11.080 1.00 0.00 H new ATOM 0 HB THR A 97 -3.463 3.080 -9.540 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.413 2.374 -7.382 1.00 0.00 H new ATOM 0 HG21 THR A 97 -4.578 2.546 -7.398 1.00 0.00 H new ATOM 0 HG22 THR A 97 -5.469 1.927 -8.809 1.00 0.00 H new ATOM 0 HG23 THR A 97 -4.499 0.817 -7.812 1.00 0.00 H new ATOM 1451 N ALA A 98 -1.457 2.335 -11.381 1.00 0.00 N ATOM 1452 CA ALA A 98 -0.126 2.554 -11.924 1.00 0.00 C ATOM 1453 C ALA A 98 0.669 3.463 -10.995 1.00 0.00 C ATOM 1454 O ALA A 98 0.174 4.508 -10.565 1.00 0.00 O ATOM 1455 CB ALA A 98 -0.211 3.158 -13.319 1.00 0.00 C ATOM 0 H ALA A 98 -2.081 3.137 -11.467 1.00 0.00 H new ATOM 0 HA ALA A 98 0.386 1.595 -12.000 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.795 3.315 -13.709 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.754 2.479 -13.977 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.735 4.113 -13.271 1.00 0.00 H new ATOM 1461 N LYS A 99 1.890 3.057 -10.670 1.00 0.00 N ATOM 1462 CA LYS A 99 2.733 3.835 -9.771 1.00 0.00 C ATOM 1463 C LYS A 99 3.992 4.335 -10.471 1.00 0.00 C ATOM 1464 O LYS A 99 4.698 3.573 -11.134 1.00 0.00 O ATOM 1465 CB LYS A 99 3.115 2.996 -8.548 1.00 0.00 C ATOM 1466 CG LYS A 99 4.030 3.715 -7.569 1.00 0.00 C ATOM 1467 CD LYS A 99 4.854 2.731 -6.755 1.00 0.00 C ATOM 1468 CE LYS A 99 6.148 2.369 -7.463 1.00 0.00 C ATOM 1469 NZ LYS A 99 6.993 1.454 -6.647 1.00 0.00 N ATOM 0 H LYS A 99 2.317 2.197 -11.014 1.00 0.00 H new ATOM 0 HA LYS A 99 2.160 4.705 -9.451 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.206 2.696 -8.027 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.605 2.083 -8.885 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.695 4.385 -8.115 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.434 4.334 -6.899 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.080 3.163 -5.780 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.271 1.828 -6.576 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.919 1.896 -8.418 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.707 3.278 -7.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.866 1.232 -7.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.234 1.915 -5.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.470 0.575 -6.457 1.00 0.00 H new ATOM 1483 N LEU A 100 4.275 5.621 -10.295 1.00 0.00 N ATOM 1484 CA LEU A 100 5.455 6.241 -10.879 1.00 0.00 C ATOM 1485 C LEU A 100 6.241 6.968 -9.793 1.00 0.00 C ATOM 1486 O LEU A 100 5.668 7.717 -9.000 1.00 0.00 O ATOM 1487 CB LEU A 100 5.059 7.213 -11.998 1.00 0.00 C ATOM 1488 CG LEU A 100 4.451 8.538 -11.536 1.00 0.00 C ATOM 1489 CD1 LEU A 100 5.540 9.577 -11.312 1.00 0.00 C ATOM 1490 CD2 LEU A 100 3.437 9.041 -12.553 1.00 0.00 C ATOM 0 H LEU A 100 3.696 6.258 -9.747 1.00 0.00 H new ATOM 0 HA LEU A 100 6.083 5.464 -11.315 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.943 7.429 -12.598 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.344 6.714 -12.652 1.00 0.00 H new ATOM 0 HG LEU A 100 3.937 8.369 -10.590 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.088 10.513 -10.984 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.231 9.221 -10.549 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.082 9.743 -12.243 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.014 9.985 -12.209 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.930 9.193 -13.513 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.640 8.306 -12.666 1.00 0.00 H new ATOM 1502 N GLY A 101 7.547 6.731 -9.744 1.00 0.00 N ATOM 1503 CA GLY A 101 8.367 7.367 -8.732 1.00 0.00 C ATOM 1504 C GLY A 101 9.630 7.990 -9.290 1.00 0.00 C ATOM 1505 O GLY A 101 9.929 7.861 -10.478 1.00 0.00 O ATOM 0 H GLY A 101 8.049 6.114 -10.382 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.781 8.137 -8.230 1.00 0.00 H new ATOM 0 HA3 GLY A 101 8.637 6.629 -7.976 1.00 0.00 H new ATOM 1509 N TYR A 102 10.371 8.668 -8.420 1.00 0.00 N ATOM 1510 CA TYR A 102 11.615 9.323 -8.811 1.00 0.00 C ATOM 1511 C TYR A 102 12.426 9.726 -7.576 1.00 0.00 C ATOM 1512 O TYR A 102 11.881 10.282 -6.623 1.00 0.00 O ATOM 1513 CB TYR A 102 11.315 10.558 -9.666 1.00 0.00 C ATOM 1514 CG TYR A 102 12.056 10.575 -10.986 1.00 0.00 C ATOM 1515 CD1 TYR A 102 11.535 9.932 -12.102 1.00 0.00 C ATOM 1516 CD2 TYR A 102 13.270 11.234 -11.114 1.00 0.00 C ATOM 1517 CE1 TYR A 102 12.206 9.945 -13.310 1.00 0.00 C ATOM 1518 CE2 TYR A 102 13.948 11.253 -12.319 1.00 0.00 C ATOM 1519 CZ TYR A 102 13.412 10.607 -13.412 1.00 0.00 C ATOM 1520 OH TYR A 102 14.084 10.623 -14.614 1.00 0.00 O ATOM 0 H TYR A 102 10.131 8.779 -7.435 1.00 0.00 H new ATOM 0 HA TYR A 102 12.204 8.618 -9.397 1.00 0.00 H new ATOM 0 HB2 TYR A 102 10.243 10.604 -9.860 1.00 0.00 H new ATOM 0 HB3 TYR A 102 11.575 11.453 -9.101 1.00 0.00 H new ATOM 0 HD1 TYR A 102 10.591 9.414 -12.024 1.00 0.00 H new ATOM 0 HD2 TYR A 102 13.692 11.740 -10.259 1.00 0.00 H new ATOM 0 HE1 TYR A 102 11.789 9.440 -14.169 1.00 0.00 H new ATOM 0 HE2 TYR A 102 14.892 11.771 -12.403 1.00 0.00 H new ATOM 0 HH TYR A 102 14.916 11.132 -14.517 1.00 0.00 H new ATOM 1530 N PRO A 103 13.745 9.453 -7.576 1.00 0.00 N ATOM 1531 CA PRO A 103 14.622 9.792 -6.450 1.00 0.00 C ATOM 1532 C PRO A 103 14.970 11.277 -6.411 1.00 0.00 C ATOM 1533 O PRO A 103 14.706 12.011 -7.362 1.00 0.00 O ATOM 1534 CB PRO A 103 15.873 8.959 -6.725 1.00 0.00 C ATOM 1535 CG PRO A 103 15.919 8.831 -8.208 1.00 0.00 C ATOM 1536 CD PRO A 103 14.485 8.790 -8.669 1.00 0.00 C ATOM 0 HA PRO A 103 14.153 9.586 -5.488 1.00 0.00 H new ATOM 0 HB2 PRO A 103 16.768 9.449 -6.341 1.00 0.00 H new ATOM 0 HB3 PRO A 103 15.813 7.983 -6.244 1.00 0.00 H new ATOM 0 HG2 PRO A 103 16.448 9.672 -8.655 1.00 0.00 H new ATOM 0 HG3 PRO A 103 16.450 7.926 -8.505 1.00 0.00 H new ATOM 0 HD2 PRO A 103 14.354 9.314 -9.616 1.00 0.00 H new ATOM 0 HD3 PRO A 103 14.143 7.766 -8.821 1.00 0.00 H new ATOM 1601 N LEU A 108 15.980 9.786 -0.698 1.00 0.00 N ATOM 1602 CA LEU A 108 14.692 10.468 -0.757 1.00 0.00 C ATOM 1603 C LEU A 108 14.079 10.313 -2.143 1.00 0.00 C ATOM 1604 O LEU A 108 14.710 10.638 -3.147 1.00 0.00 O ATOM 1605 CB LEU A 108 14.839 11.958 -0.410 1.00 0.00 C ATOM 1606 CG LEU A 108 16.209 12.384 0.121 1.00 0.00 C ATOM 1607 CD1 LEU A 108 16.390 13.886 -0.029 1.00 0.00 C ATOM 1608 CD2 LEU A 108 16.373 11.970 1.576 1.00 0.00 C ATOM 0 HA LEU A 108 14.032 10.010 -0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.618 12.543 -1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 108 14.085 12.215 0.335 1.00 0.00 H new ATOM 0 HG LEU A 108 16.978 11.881 -0.466 1.00 0.00 H new ATOM 0 HD11 LEU A 108 17.369 14.174 0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 108 16.317 14.158 -1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 108 15.614 14.404 0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 108 17.354 12.282 1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 108 15.598 12.444 2.179 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.284 10.887 1.658 1.00 0.00 H new ATOM 1620 N ASP A 109 12.853 9.806 -2.197 1.00 0.00 N ATOM 1621 CA ASP A 109 12.178 9.602 -3.471 1.00 0.00 C ATOM 1622 C ASP A 109 10.702 9.975 -3.396 1.00 0.00 C ATOM 1623 O ASP A 109 10.121 10.061 -2.313 1.00 0.00 O ATOM 1624 CB ASP A 109 12.319 8.145 -3.917 1.00 0.00 C ATOM 1625 CG ASP A 109 13.729 7.613 -3.740 1.00 0.00 C ATOM 1626 OD1 ASP A 109 14.225 7.618 -2.594 1.00 0.00 O ATOM 1627 OD2 ASP A 109 14.335 7.192 -4.748 1.00 0.00 O ATOM 0 H ASP A 109 12.310 9.531 -1.379 1.00 0.00 H new ATOM 0 HA ASP A 109 12.654 10.257 -4.201 1.00 0.00 H new ATOM 0 HB2 ASP A 109 11.627 7.526 -3.346 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.032 8.061 -4.965 1.00 0.00 H new ATOM 1632 N ILE A 110 10.107 10.181 -4.565 1.00 0.00 N ATOM 1633 CA ILE A 110 8.697 10.533 -4.673 1.00 0.00 C ATOM 1634 C ILE A 110 7.930 9.412 -5.369 1.00 0.00 C ATOM 1635 O ILE A 110 8.461 8.757 -6.265 1.00 0.00 O ATOM 1636 CB ILE A 110 8.507 11.844 -5.466 1.00 0.00 C ATOM 1637 CG1 ILE A 110 7.020 12.208 -5.565 1.00 0.00 C ATOM 1638 CG2 ILE A 110 9.127 11.715 -6.854 1.00 0.00 C ATOM 1639 CD1 ILE A 110 6.724 13.321 -6.550 1.00 0.00 C ATOM 0 H ILE A 110 10.587 10.109 -5.462 1.00 0.00 H new ATOM 0 HA ILE A 110 8.312 10.676 -3.664 1.00 0.00 H new ATOM 0 HB ILE A 110 9.015 12.648 -4.934 1.00 0.00 H new ATOM 0 HG12 ILE A 110 6.457 11.321 -5.855 1.00 0.00 H new ATOM 0 HG13 ILE A 110 6.662 12.504 -4.579 1.00 0.00 H new ATOM 0 HG21 ILE A 110 8.986 12.646 -7.403 1.00 0.00 H new ATOM 0 HG22 ILE A 110 10.193 11.507 -6.759 1.00 0.00 H new ATOM 0 HG23 ILE A 110 8.645 10.899 -7.393 1.00 0.00 H new ATOM 0 HD11 ILE A 110 5.652 13.520 -6.563 1.00 0.00 H new ATOM 0 HD12 ILE A 110 7.257 14.223 -6.251 1.00 0.00 H new ATOM 0 HD13 ILE A 110 7.049 13.021 -7.546 1.00 0.00 H new ATOM 1651 N TYR A 111 6.687 9.191 -4.951 1.00 0.00 N ATOM 1652 CA TYR A 111 5.867 8.139 -5.544 1.00 0.00 C ATOM 1653 C TYR A 111 4.413 8.578 -5.685 1.00 0.00 C ATOM 1654 O TYR A 111 3.852 9.203 -4.785 1.00 0.00 O ATOM 1655 CB TYR A 111 5.945 6.868 -4.697 1.00 0.00 C ATOM 1656 CG TYR A 111 7.281 6.165 -4.784 1.00 0.00 C ATOM 1657 CD1 TYR A 111 7.688 5.548 -5.960 1.00 0.00 C ATOM 1658 CD2 TYR A 111 8.135 6.117 -3.690 1.00 0.00 C ATOM 1659 CE1 TYR A 111 8.909 4.905 -6.044 1.00 0.00 C ATOM 1660 CE2 TYR A 111 9.357 5.476 -3.765 1.00 0.00 C ATOM 1661 CZ TYR A 111 9.739 4.872 -4.944 1.00 0.00 C ATOM 1662 OH TYR A 111 10.954 4.234 -5.023 1.00 0.00 O ATOM 0 H TYR A 111 6.228 9.721 -4.210 1.00 0.00 H new ATOM 0 HA TYR A 111 6.258 7.935 -6.541 1.00 0.00 H new ATOM 0 HB2 TYR A 111 5.744 7.122 -3.656 1.00 0.00 H new ATOM 0 HB3 TYR A 111 5.161 6.181 -5.014 1.00 0.00 H new ATOM 0 HD1 TYR A 111 7.040 5.571 -6.823 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.839 6.589 -2.765 1.00 0.00 H new ATOM 0 HE1 TYR A 111 9.211 4.431 -6.966 1.00 0.00 H new ATOM 0 HE2 TYR A 111 10.009 5.448 -2.905 1.00 0.00 H new ATOM 0 HH TYR A 111 11.417 4.304 -4.162 1.00 0.00 H new ATOM 1672 N THR A 112 3.810 8.242 -6.822 1.00 0.00 N ATOM 1673 CA THR A 112 2.419 8.595 -7.086 1.00 0.00 C ATOM 1674 C THR A 112 1.667 7.412 -7.689 1.00 0.00 C ATOM 1675 O THR A 112 2.114 6.816 -8.670 1.00 0.00 O ATOM 1676 CB THR A 112 2.346 9.795 -8.031 1.00 0.00 C ATOM 1677 OG1 THR A 112 3.495 10.612 -7.893 1.00 0.00 O ATOM 1678 CG2 THR A 112 1.131 10.668 -7.798 1.00 0.00 C ATOM 0 H THR A 112 4.263 7.725 -7.576 1.00 0.00 H new ATOM 0 HA THR A 112 1.949 8.860 -6.139 1.00 0.00 H new ATOM 0 HB THR A 112 2.281 9.370 -9.033 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.431 11.373 -8.507 1.00 0.00 H new ATOM 0 HG21 THR A 112 1.141 11.501 -8.501 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.226 10.079 -7.946 1.00 0.00 H new ATOM 0 HG23 THR A 112 1.150 11.054 -6.779 1.00 0.00 H new ATOM 1686 N ARG A 113 0.525 7.072 -7.095 1.00 0.00 N ATOM 1687 CA ARG A 113 -0.281 5.953 -7.578 1.00 0.00 C ATOM 1688 C ARG A 113 -1.664 6.420 -8.028 1.00 0.00 C ATOM 1689 O ARG A 113 -2.377 7.091 -7.282 1.00 0.00 O ATOM 1690 CB ARG A 113 -0.424 4.896 -6.481 1.00 0.00 C ATOM 1691 CG ARG A 113 0.902 4.447 -5.891 1.00 0.00 C ATOM 1692 CD ARG A 113 0.704 3.436 -4.773 1.00 0.00 C ATOM 1693 NE ARG A 113 0.421 4.083 -3.492 1.00 0.00 N ATOM 1694 CZ ARG A 113 -0.802 4.405 -3.073 1.00 0.00 C ATOM 1695 NH1 ARG A 113 -1.862 4.152 -3.830 1.00 0.00 N ATOM 1696 NH2 ARG A 113 -0.964 4.984 -1.891 1.00 0.00 N ATOM 0 H ARG A 113 0.138 7.553 -6.283 1.00 0.00 H new ATOM 0 HA ARG A 113 0.230 5.518 -8.437 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -1.050 5.295 -5.683 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.942 4.029 -6.890 1.00 0.00 H new ATOM 0 HG2 ARG A 113 1.519 4.007 -6.675 1.00 0.00 H new ATOM 0 HG3 ARG A 113 1.442 5.313 -5.508 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -0.117 2.767 -5.030 1.00 0.00 H new ATOM 0 HD3 ARG A 113 1.599 2.821 -4.678 1.00 0.00 H new ATOM 0 HE ARG A 113 1.209 4.301 -2.882 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -1.744 3.708 -4.741 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -2.795 4.402 -3.501 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -0.153 5.182 -1.305 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -1.899 5.231 -1.568 1.00 0.00 H new ATOM 1710 N LEU A 114 -2.036 6.044 -9.251 1.00 0.00 N ATOM 1711 CA LEU A 114 -3.338 6.411 -9.804 1.00 0.00 C ATOM 1712 C LEU A 114 -3.997 5.204 -10.465 1.00 0.00 C ATOM 1713 O LEU A 114 -3.425 4.592 -11.369 1.00 0.00 O ATOM 1714 CB LEU A 114 -3.187 7.549 -10.821 1.00 0.00 C ATOM 1715 CG LEU A 114 -4.468 7.936 -11.565 1.00 0.00 C ATOM 1716 CD1 LEU A 114 -4.490 9.430 -11.863 1.00 0.00 C ATOM 1717 CD2 LEU A 114 -4.600 7.135 -12.853 1.00 0.00 C ATOM 0 H LEU A 114 -1.455 5.486 -9.877 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.973 6.753 -8.987 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.808 8.429 -10.303 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.433 7.261 -11.554 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.318 7.703 -10.923 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -5.409 9.682 -12.392 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -4.445 9.988 -10.928 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.632 9.690 -12.483 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.516 7.423 -13.368 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.743 7.336 -13.496 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.635 6.071 -12.618 1.00 0.00 H new ATOM 1729 N GLY A 115 -5.200 4.859 -10.009 1.00 0.00 N ATOM 1730 CA GLY A 115 -5.905 3.719 -10.570 1.00 0.00 C ATOM 1731 C GLY A 115 -7.265 3.509 -9.934 1.00 0.00 C ATOM 1732 O GLY A 115 -8.001 4.466 -9.697 1.00 0.00 O ATOM 0 H GLY A 115 -5.697 5.347 -9.264 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -6.028 3.864 -11.643 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -5.302 2.821 -10.436 1.00 0.00 H new ATOM 1736 N GLY A 116 -7.604 2.251 -9.656 1.00 0.00 N ATOM 1737 CA GLY A 116 -8.885 1.949 -9.048 1.00 0.00 C ATOM 1738 C GLY A 116 -8.793 0.881 -7.978 1.00 0.00 C ATOM 1739 O GLY A 116 -7.827 0.119 -7.931 1.00 0.00 O ATOM 0 H GLY A 116 -7.014 1.440 -9.841 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -9.298 2.859 -8.612 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -9.580 1.622 -9.821 1.00 0.00 H new ATOM 1743 N MET A 117 -9.803 0.827 -7.116 1.00 0.00 N ATOM 1744 CA MET A 117 -9.841 -0.154 -6.038 1.00 0.00 C ATOM 1745 C MET A 117 -11.080 -1.035 -6.152 1.00 0.00 C ATOM 1746 O MET A 117 -12.179 -0.546 -6.429 1.00 0.00 O ATOM 1747 CB MET A 117 -9.823 0.551 -4.680 1.00 0.00 C ATOM 1748 CG MET A 117 -10.978 1.519 -4.482 1.00 0.00 C ATOM 1749 SD MET A 117 -11.400 1.750 -2.745 1.00 0.00 S ATOM 1750 CE MET A 117 -10.063 2.816 -2.209 1.00 0.00 C ATOM 0 H MET A 117 -10.608 1.453 -7.143 1.00 0.00 H new ATOM 0 HA MET A 117 -8.958 -0.787 -6.122 1.00 0.00 H new ATOM 0 HB2 MET A 117 -9.849 -0.199 -3.890 1.00 0.00 H new ATOM 0 HB3 MET A 117 -8.883 1.093 -4.574 1.00 0.00 H new ATOM 0 HG2 MET A 117 -10.718 2.483 -4.920 1.00 0.00 H new ATOM 0 HG3 MET A 117 -11.852 1.150 -5.018 1.00 0.00 H new ATOM 0 HE1 MET A 117 -9.864 2.646 -1.151 1.00 0.00 H new ATOM 0 HE2 MET A 117 -9.166 2.594 -2.787 1.00 0.00 H new ATOM 0 HE3 MET A 117 -10.344 3.858 -2.362 1.00 0.00 H new ATOM 1760 N VAL A 118 -10.897 -2.335 -5.938 1.00 0.00 N ATOM 1761 CA VAL A 118 -11.996 -3.290 -6.019 1.00 0.00 C ATOM 1762 C VAL A 118 -12.009 -4.208 -4.799 1.00 0.00 C ATOM 1763 O VAL A 118 -11.100 -5.016 -4.611 1.00 0.00 O ATOM 1764 CB VAL A 118 -11.912 -4.155 -7.295 1.00 0.00 C ATOM 1765 CG1 VAL A 118 -13.285 -4.697 -7.661 1.00 0.00 C ATOM 1766 CG2 VAL A 118 -11.318 -3.362 -8.454 1.00 0.00 C ATOM 0 H VAL A 118 -9.995 -2.751 -5.707 1.00 0.00 H new ATOM 0 HA VAL A 118 -12.916 -2.707 -6.051 1.00 0.00 H new ATOM 0 HB VAL A 118 -11.251 -4.998 -7.092 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -13.208 -5.304 -8.563 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -13.665 -5.309 -6.843 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -13.968 -3.867 -7.840 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -11.270 -3.994 -9.341 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -11.945 -2.495 -8.660 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -10.314 -3.029 -8.191 1.00 0.00 H new ATOM 1776 N TRP A 119 -13.043 -4.078 -3.974 1.00 0.00 N ATOM 1777 CA TRP A 119 -13.170 -4.896 -2.772 1.00 0.00 C ATOM 1778 C TRP A 119 -14.610 -5.357 -2.577 1.00 0.00 C ATOM 1779 O TRP A 119 -15.521 -4.891 -3.262 1.00 0.00 O ATOM 1780 CB TRP A 119 -12.703 -4.110 -1.546 1.00 0.00 C ATOM 1781 CG TRP A 119 -13.341 -2.761 -1.429 1.00 0.00 C ATOM 1782 CD1 TRP A 119 -13.122 -1.678 -2.230 1.00 0.00 C ATOM 1783 CD2 TRP A 119 -14.305 -2.349 -0.452 1.00 0.00 C ATOM 1784 NE1 TRP A 119 -13.889 -0.619 -1.812 1.00 0.00 N ATOM 1785 CE2 TRP A 119 -14.625 -1.005 -0.722 1.00 0.00 C ATOM 1786 CE3 TRP A 119 -14.930 -2.987 0.623 1.00 0.00 C ATOM 1787 CZ2 TRP A 119 -15.539 -0.289 0.044 1.00 0.00 C ATOM 1788 CZ3 TRP A 119 -15.838 -2.275 1.384 1.00 0.00 C ATOM 1789 CH2 TRP A 119 -16.136 -0.937 1.092 1.00 0.00 C ATOM 0 H TRP A 119 -13.805 -3.415 -4.115 1.00 0.00 H new ATOM 0 HA TRP A 119 -12.540 -5.777 -2.893 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -12.923 -4.687 -0.648 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -11.621 -3.990 -1.591 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -12.444 -1.657 -3.070 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -13.908 0.305 -2.243 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -14.707 -4.018 0.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -15.770 0.742 -0.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -16.326 -2.758 2.218 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -16.850 -0.407 1.705 1.00 0.00 H new ATOM 2091 N VAL A 141 -16.295 -0.883 -5.580 1.00 0.00 N ATOM 2092 CA VAL A 141 -15.353 -0.554 -6.644 1.00 0.00 C ATOM 2093 C VAL A 141 -15.370 0.941 -6.945 1.00 0.00 C ATOM 2094 O VAL A 141 -16.416 1.506 -7.264 1.00 0.00 O ATOM 2095 CB VAL A 141 -15.666 -1.336 -7.935 1.00 0.00 C ATOM 2096 CG1 VAL A 141 -17.054 -0.988 -8.451 1.00 0.00 C ATOM 2097 CG2 VAL A 141 -14.610 -1.066 -8.996 1.00 0.00 C ATOM 0 HA VAL A 141 -14.362 -0.839 -6.292 1.00 0.00 H new ATOM 0 HB VAL A 141 -15.648 -2.401 -7.703 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -17.255 -1.551 -9.363 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -17.797 -1.243 -7.696 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -17.106 0.080 -8.665 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -14.850 -1.627 -9.899 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -14.589 -0.001 -9.226 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -13.633 -1.376 -8.624 1.00 0.00 H new ATOM 2107 N SER A 142 -14.209 1.582 -6.836 1.00 0.00 N ATOM 2108 CA SER A 142 -14.109 3.015 -7.098 1.00 0.00 C ATOM 2109 C SER A 142 -12.681 3.421 -7.463 1.00 0.00 C ATOM 2110 O SER A 142 -11.716 2.819 -6.994 1.00 0.00 O ATOM 2111 CB SER A 142 -14.581 3.806 -5.875 1.00 0.00 C ATOM 2112 OG SER A 142 -15.874 4.345 -6.086 1.00 0.00 O ATOM 0 H SER A 142 -13.331 1.136 -6.570 1.00 0.00 H new ATOM 0 HA SER A 142 -14.750 3.244 -7.949 1.00 0.00 H new ATOM 0 HB2 SER A 142 -14.592 3.156 -5.000 1.00 0.00 H new ATOM 0 HB3 SER A 142 -13.877 4.611 -5.665 1.00 0.00 H new ATOM 0 HG SER A 142 -16.441 3.674 -6.521 1.00 0.00 H new ATOM 2118 N PRO A 143 -12.533 4.462 -8.303 1.00 0.00 N ATOM 2119 CA PRO A 143 -11.224 4.961 -8.729 1.00 0.00 C ATOM 2120 C PRO A 143 -10.586 5.869 -7.681 1.00 0.00 C ATOM 2121 O PRO A 143 -11.271 6.671 -7.047 1.00 0.00 O ATOM 2122 CB PRO A 143 -11.557 5.750 -9.991 1.00 0.00 C ATOM 2123 CG PRO A 143 -12.932 6.272 -9.750 1.00 0.00 C ATOM 2124 CD PRO A 143 -13.635 5.241 -8.905 1.00 0.00 C ATOM 0 HA PRO A 143 -10.502 4.159 -8.885 1.00 0.00 H new ATOM 0 HB2 PRO A 143 -10.847 6.561 -10.152 1.00 0.00 H new ATOM 0 HB3 PRO A 143 -11.522 5.116 -10.877 1.00 0.00 H new ATOM 0 HG2 PRO A 143 -12.898 7.235 -9.240 1.00 0.00 H new ATOM 0 HG3 PRO A 143 -13.459 6.428 -10.691 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -14.258 5.708 -8.142 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -14.288 4.609 -9.507 1.00 0.00 H new ATOM 2132 N VAL A 144 -9.272 5.744 -7.504 1.00 0.00 N ATOM 2133 CA VAL A 144 -8.559 6.561 -6.530 1.00 0.00 C ATOM 2134 C VAL A 144 -7.077 6.675 -6.871 1.00 0.00 C ATOM 2135 O VAL A 144 -6.534 5.862 -7.620 1.00 0.00 O ATOM 2136 CB VAL A 144 -8.697 5.989 -5.105 1.00 0.00 C ATOM 2137 CG1 VAL A 144 -10.152 6.005 -4.660 1.00 0.00 C ATOM 2138 CG2 VAL A 144 -8.125 4.581 -5.034 1.00 0.00 C ATOM 0 H VAL A 144 -8.685 5.089 -8.020 1.00 0.00 H new ATOM 0 HA VAL A 144 -9.013 7.551 -6.568 1.00 0.00 H new ATOM 0 HB VAL A 144 -8.126 6.621 -4.425 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -10.229 5.597 -3.652 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -10.523 7.030 -4.666 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -10.748 5.399 -5.343 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -8.232 4.195 -4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -8.663 3.934 -5.727 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -7.069 4.603 -5.304 1.00 0.00 H new ATOM 2148 N PHE A 145 -6.427 7.689 -6.309 1.00 0.00 N ATOM 2149 CA PHE A 145 -5.005 7.918 -6.540 1.00 0.00 C ATOM 2150 C PHE A 145 -4.364 8.560 -5.313 1.00 0.00 C ATOM 2151 O PHE A 145 -4.874 9.546 -4.781 1.00 0.00 O ATOM 2152 CB PHE A 145 -4.799 8.810 -7.765 1.00 0.00 C ATOM 2153 CG PHE A 145 -5.496 10.137 -7.667 1.00 0.00 C ATOM 2154 CD1 PHE A 145 -4.904 11.198 -7.001 1.00 0.00 C ATOM 2155 CD2 PHE A 145 -6.743 10.322 -8.241 1.00 0.00 C ATOM 2156 CE1 PHE A 145 -5.543 12.419 -6.908 1.00 0.00 C ATOM 2157 CE2 PHE A 145 -7.387 11.542 -8.153 1.00 0.00 C ATOM 2158 CZ PHE A 145 -6.785 12.592 -7.486 1.00 0.00 C ATOM 0 H PHE A 145 -6.865 8.368 -5.687 1.00 0.00 H new ATOM 0 HA PHE A 145 -4.528 6.955 -6.723 1.00 0.00 H new ATOM 0 HB2 PHE A 145 -3.731 8.979 -7.905 1.00 0.00 H new ATOM 0 HB3 PHE A 145 -5.158 8.285 -8.651 1.00 0.00 H new ATOM 0 HD1 PHE A 145 -3.932 11.069 -6.549 1.00 0.00 H new ATOM 0 HD2 PHE A 145 -7.217 9.504 -8.763 1.00 0.00 H new ATOM 0 HE1 PHE A 145 -5.072 13.237 -6.384 1.00 0.00 H new ATOM 0 HE2 PHE A 145 -8.359 11.674 -8.605 1.00 0.00 H new ATOM 0 HZ PHE A 145 -7.285 13.547 -7.417 1.00 0.00 H new ATOM 2168 N ALA A 146 -3.249 7.995 -4.863 1.00 0.00 N ATOM 2169 CA ALA A 146 -2.550 8.517 -3.693 1.00 0.00 C ATOM 2170 C ALA A 146 -1.159 9.022 -4.053 1.00 0.00 C ATOM 2171 O ALA A 146 -0.564 8.587 -5.040 1.00 0.00 O ATOM 2172 CB ALA A 146 -2.460 7.447 -2.615 1.00 0.00 C ATOM 0 H ALA A 146 -2.810 7.178 -5.288 1.00 0.00 H new ATOM 0 HA ALA A 146 -3.122 9.362 -3.311 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -1.937 7.848 -1.747 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -3.464 7.139 -2.323 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -1.915 6.586 -3.002 1.00 0.00 H new ATOM 2178 N GLY A 147 -0.644 9.944 -3.244 1.00 0.00 N ATOM 2179 CA GLY A 147 0.677 10.495 -3.490 1.00 0.00 C ATOM 2180 C GLY A 147 1.471 10.672 -2.212 1.00 0.00 C ATOM 2181 O GLY A 147 0.939 11.140 -1.204 1.00 0.00 O ATOM 0 H GLY A 147 -1.118 10.319 -2.423 1.00 0.00 H new ATOM 0 HA2 GLY A 147 1.223 9.837 -4.167 1.00 0.00 H new ATOM 0 HA3 GLY A 147 0.579 11.458 -3.991 1.00 0.00 H new ATOM 2185 N GLY A 148 2.746 10.297 -2.246 1.00 0.00 N ATOM 2186 CA GLY A 148 3.582 10.425 -1.068 1.00 0.00 C ATOM 2187 C GLY A 148 5.064 10.350 -1.386 1.00 0.00 C ATOM 2188 O GLY A 148 5.467 10.468 -2.544 1.00 0.00 O ATOM 0 H GLY A 148 3.213 9.908 -3.065 1.00 0.00 H new ATOM 0 HA2 GLY A 148 3.368 11.375 -0.578 1.00 0.00 H new ATOM 0 HA3 GLY A 148 3.327 9.637 -0.360 1.00 0.00 H new ATOM 2192 N VAL A 149 5.873 10.154 -0.350 1.00 0.00 N ATOM 2193 CA VAL A 149 7.321 10.062 -0.515 1.00 0.00 C ATOM 2194 C VAL A 149 7.885 8.876 0.264 1.00 0.00 C ATOM 2195 O VAL A 149 7.175 8.248 1.047 1.00 0.00 O ATOM 2196 CB VAL A 149 8.022 11.354 -0.053 1.00 0.00 C ATOM 2197 CG1 VAL A 149 7.769 12.485 -1.042 1.00 0.00 C ATOM 2198 CG2 VAL A 149 7.559 11.740 1.346 1.00 0.00 C ATOM 0 H VAL A 149 5.552 10.056 0.613 1.00 0.00 H new ATOM 0 HA VAL A 149 7.514 9.918 -1.578 1.00 0.00 H new ATOM 0 HB VAL A 149 9.096 11.171 -0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 149 8.272 13.389 -0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 149 8.156 12.205 -2.022 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.698 12.672 -1.115 1.00 0.00 H new ATOM 0 HG21 VAL A 149 8.064 12.655 1.657 1.00 0.00 H new ATOM 0 HG22 VAL A 149 6.481 11.904 1.340 1.00 0.00 H new ATOM 0 HG23 VAL A 149 7.800 10.938 2.043 1.00 0.00 H new ATOM 2208 N GLU A 150 9.163 8.571 0.042 1.00 0.00 N ATOM 2209 CA GLU A 150 9.801 7.452 0.727 1.00 0.00 C ATOM 2210 C GLU A 150 11.276 7.737 0.998 1.00 0.00 C ATOM 2211 O GLU A 150 11.933 8.451 0.239 1.00 0.00 O ATOM 2212 CB GLU A 150 9.663 6.175 -0.105 1.00 0.00 C ATOM 2213 CG GLU A 150 10.092 4.917 0.631 1.00 0.00 C ATOM 2214 CD GLU A 150 10.464 3.789 -0.311 1.00 0.00 C ATOM 2215 OE1 GLU A 150 9.574 3.312 -1.047 1.00 0.00 O ATOM 2216 OE2 GLU A 150 11.645 3.383 -0.313 1.00 0.00 O ATOM 0 H GLU A 150 9.771 9.079 -0.601 1.00 0.00 H new ATOM 0 HA GLU A 150 9.298 7.315 1.684 1.00 0.00 H new ATOM 0 HB2 GLU A 150 8.624 6.066 -0.418 1.00 0.00 H new ATOM 0 HB3 GLU A 150 10.260 6.276 -1.011 1.00 0.00 H new ATOM 0 HG2 GLU A 150 10.944 5.147 1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 150 9.283 4.589 1.284 1.00 0.00 H new ATOM 2223 N TRP A 151 11.790 7.165 2.082 1.00 0.00 N ATOM 2224 CA TRP A 151 13.189 7.347 2.459 1.00 0.00 C ATOM 2225 C TRP A 151 13.802 6.023 2.906 1.00 0.00 C ATOM 2226 O TRP A 151 13.215 5.297 3.707 1.00 0.00 O ATOM 2227 CB TRP A 151 13.311 8.386 3.575 1.00 0.00 C ATOM 2228 CG TRP A 151 12.383 8.135 4.724 1.00 0.00 C ATOM 2229 CD1 TRP A 151 12.573 7.264 5.757 1.00 0.00 C ATOM 2230 CD2 TRP A 151 11.118 8.765 4.956 1.00 0.00 C ATOM 2231 NE1 TRP A 151 11.504 7.313 6.618 1.00 0.00 N ATOM 2232 CE2 TRP A 151 10.597 8.227 6.148 1.00 0.00 C ATOM 2233 CE3 TRP A 151 10.376 9.732 4.272 1.00 0.00 C ATOM 2234 CZ2 TRP A 151 9.368 8.625 6.669 1.00 0.00 C ATOM 2235 CZ3 TRP A 151 9.157 10.125 4.790 1.00 0.00 C ATOM 2236 CH2 TRP A 151 8.663 9.572 5.979 1.00 0.00 C ATOM 0 H TRP A 151 11.258 6.570 2.717 1.00 0.00 H new ATOM 0 HA TRP A 151 13.734 7.705 1.585 1.00 0.00 H new ATOM 0 HB2 TRP A 151 14.337 8.396 3.942 1.00 0.00 H new ATOM 0 HB3 TRP A 151 13.110 9.375 3.164 1.00 0.00 H new ATOM 0 HD1 TRP A 151 13.438 6.629 5.880 1.00 0.00 H new ATOM 0 HE1 TRP A 151 11.402 6.759 7.469 1.00 0.00 H new ATOM 0 HE3 TRP A 151 10.749 10.164 3.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 151 8.985 8.201 7.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 151 8.575 10.871 4.270 1.00 0.00 H new ATOM 0 HH2 TRP A 151 7.706 9.900 6.358 1.00 0.00 H new ATOM 2247 N ALA A 152 14.982 5.714 2.379 1.00 0.00 N ATOM 2248 CA ALA A 152 15.671 4.474 2.720 1.00 0.00 C ATOM 2249 C ALA A 152 16.473 4.616 4.009 1.00 0.00 C ATOM 2250 O ALA A 152 17.175 5.609 4.212 1.00 0.00 O ATOM 2251 CB ALA A 152 16.579 4.043 1.578 1.00 0.00 C ATOM 0 H ALA A 152 15.481 6.305 1.714 1.00 0.00 H new ATOM 0 HA ALA A 152 14.914 3.706 2.882 1.00 0.00 H new ATOM 0 HB1 ALA A 152 17.087 3.117 1.847 1.00 0.00 H new ATOM 0 HB2 ALA A 152 15.983 3.883 0.680 1.00 0.00 H new ATOM 0 HB3 ALA A 152 17.319 4.820 1.388 1.00 0.00 H new ATOM 2257 N VAL A 153 16.371 3.613 4.875 1.00 0.00 N ATOM 2258 CA VAL A 153 17.089 3.615 6.143 1.00 0.00 C ATOM 2259 C VAL A 153 18.098 2.471 6.197 1.00 0.00 C ATOM 2260 O VAL A 153 19.305 2.699 6.288 1.00 0.00 O ATOM 2261 CB VAL A 153 16.123 3.489 7.339 1.00 0.00 C ATOM 2262 CG1 VAL A 153 16.880 3.580 8.657 1.00 0.00 C ATOM 2263 CG2 VAL A 153 15.040 4.556 7.262 1.00 0.00 C ATOM 0 H VAL A 153 15.795 2.785 4.720 1.00 0.00 H new ATOM 0 HA VAL A 153 17.613 4.568 6.211 1.00 0.00 H new ATOM 0 HB VAL A 153 15.645 2.511 7.293 1.00 0.00 H new ATOM 0 HG11 VAL A 153 16.179 3.489 9.486 1.00 0.00 H new ATOM 0 HG12 VAL A 153 17.613 2.775 8.712 1.00 0.00 H new ATOM 0 HG13 VAL A 153 17.391 4.541 8.718 1.00 0.00 H new ATOM 0 HG21 VAL A 153 14.367 4.453 8.113 1.00 0.00 H new ATOM 0 HG22 VAL A 153 15.500 5.544 7.281 1.00 0.00 H new ATOM 0 HG23 VAL A 153 14.476 4.436 6.337 1.00 0.00 H new ATOM 2323 N ILE A 157 15.161 -1.805 3.083 1.00 0.00 N ATOM 2324 CA ILE A 157 14.113 -1.472 4.040 1.00 0.00 C ATOM 2325 C ILE A 157 13.948 0.040 4.164 1.00 0.00 C ATOM 2326 O ILE A 157 14.776 0.716 4.774 1.00 0.00 O ATOM 2327 CB ILE A 157 14.412 -2.062 5.433 1.00 0.00 C ATOM 2328 CG1 ILE A 157 14.717 -3.557 5.325 1.00 0.00 C ATOM 2329 CG2 ILE A 157 13.241 -1.823 6.374 1.00 0.00 C ATOM 2330 CD1 ILE A 157 15.068 -4.200 6.647 1.00 0.00 C ATOM 0 HA ILE A 157 13.188 -1.908 3.663 1.00 0.00 H new ATOM 0 HB ILE A 157 15.289 -1.560 5.841 1.00 0.00 H new ATOM 0 HG12 ILE A 157 13.851 -4.066 4.901 1.00 0.00 H new ATOM 0 HG13 ILE A 157 15.544 -3.701 4.629 1.00 0.00 H new ATOM 0 HG21 ILE A 157 13.469 -2.246 7.353 1.00 0.00 H new ATOM 0 HG22 ILE A 157 13.067 -0.752 6.473 1.00 0.00 H new ATOM 0 HG23 ILE A 157 12.348 -2.300 5.972 1.00 0.00 H new ATOM 0 HD11 ILE A 157 15.272 -5.260 6.493 1.00 0.00 H new ATOM 0 HD12 ILE A 157 15.952 -3.717 7.063 1.00 0.00 H new ATOM 0 HD13 ILE A 157 14.234 -4.088 7.339 1.00 0.00 H new ATOM 2342 N ALA A 158 12.876 0.564 3.579 1.00 0.00 N ATOM 2343 CA ALA A 158 12.608 1.995 3.621 1.00 0.00 C ATOM 2344 C ALA A 158 11.205 2.282 4.144 1.00 0.00 C ATOM 2345 O ALA A 158 10.373 1.380 4.249 1.00 0.00 O ATOM 2346 CB ALA A 158 12.788 2.603 2.238 1.00 0.00 C ATOM 0 H ALA A 158 12.180 0.019 3.071 1.00 0.00 H new ATOM 0 HA ALA A 158 13.321 2.451 4.308 1.00 0.00 H new ATOM 0 HB1 ALA A 158 12.585 3.673 2.282 1.00 0.00 H new ATOM 0 HB2 ALA A 158 13.812 2.441 1.900 1.00 0.00 H new ATOM 0 HB3 ALA A 158 12.097 2.131 1.540 1.00 0.00 H new ATOM 2352 N THR A 159 10.948 3.547 4.463 1.00 0.00 N ATOM 2353 CA THR A 159 9.644 3.964 4.965 1.00 0.00 C ATOM 2354 C THR A 159 8.944 4.843 3.940 1.00 0.00 C ATOM 2355 O THR A 159 9.590 5.614 3.230 1.00 0.00 O ATOM 2356 CB THR A 159 9.797 4.718 6.288 1.00 0.00 C ATOM 2357 OG1 THR A 159 11.010 4.367 6.928 1.00 0.00 O ATOM 2358 CG2 THR A 159 8.670 4.449 7.262 1.00 0.00 C ATOM 0 H THR A 159 11.628 4.303 4.382 1.00 0.00 H new ATOM 0 HA THR A 159 9.039 3.074 5.139 1.00 0.00 H new ATOM 0 HB THR A 159 9.783 5.775 6.022 1.00 0.00 H new ATOM 0 HG1 THR A 159 11.674 5.073 6.780 1.00 0.00 H new ATOM 0 HG21 THR A 159 8.839 5.013 8.179 1.00 0.00 H new ATOM 0 HG22 THR A 159 7.723 4.755 6.817 1.00 0.00 H new ATOM 0 HG23 THR A 159 8.635 3.384 7.493 1.00 0.00 H new ATOM 2366 N ARG A 160 7.625 4.721 3.852 1.00 0.00 N ATOM 2367 CA ARG A 160 6.860 5.506 2.892 1.00 0.00 C ATOM 2368 C ARG A 160 5.650 6.172 3.538 1.00 0.00 C ATOM 2369 O ARG A 160 4.877 5.532 4.254 1.00 0.00 O ATOM 2370 CB ARG A 160 6.403 4.619 1.733 1.00 0.00 C ATOM 2371 CG ARG A 160 5.708 5.386 0.618 1.00 0.00 C ATOM 2372 CD ARG A 160 6.218 4.972 -0.754 1.00 0.00 C ATOM 2373 NE ARG A 160 5.203 4.252 -1.521 1.00 0.00 N ATOM 2374 CZ ARG A 160 5.475 3.487 -2.575 1.00 0.00 C ATOM 2375 NH1 ARG A 160 6.725 3.340 -2.992 1.00 0.00 N ATOM 2376 NH2 ARG A 160 4.492 2.867 -3.215 1.00 0.00 N ATOM 0 H ARG A 160 7.067 4.091 4.429 1.00 0.00 H new ATOM 0 HA ARG A 160 7.515 6.293 2.517 1.00 0.00 H new ATOM 0 HB2 ARG A 160 7.268 4.099 1.321 1.00 0.00 H new ATOM 0 HB3 ARG A 160 5.725 3.856 2.115 1.00 0.00 H new ATOM 0 HG2 ARG A 160 4.633 5.214 0.674 1.00 0.00 H new ATOM 0 HG3 ARG A 160 5.867 6.455 0.758 1.00 0.00 H new ATOM 0 HD2 ARG A 160 6.530 5.858 -1.307 1.00 0.00 H new ATOM 0 HD3 ARG A 160 7.100 4.342 -0.638 1.00 0.00 H new ATOM 0 HE ARG A 160 4.229 4.341 -1.231 1.00 0.00 H new ATOM 0 HH11 ARG A 160 7.485 3.815 -2.504 1.00 0.00 H new ATOM 0 HH12 ARG A 160 6.927 2.752 -3.801 1.00 0.00 H new ATOM 0 HH21 ARG A 160 3.528 2.977 -2.899 1.00 0.00 H new ATOM 0 HH22 ARG A 160 4.700 2.280 -4.023 1.00 0.00 H new ATOM 2390 N LEU A 161 5.487 7.461 3.257 1.00 0.00 N ATOM 2391 CA LEU A 161 4.366 8.233 3.777 1.00 0.00 C ATOM 2392 C LEU A 161 3.483 8.690 2.621 1.00 0.00 C ATOM 2393 O LEU A 161 3.932 9.434 1.743 1.00 0.00 O ATOM 2394 CB LEU A 161 4.863 9.442 4.577 1.00 0.00 C ATOM 2395 CG LEU A 161 4.070 9.744 5.852 1.00 0.00 C ATOM 2396 CD1 LEU A 161 4.810 10.755 6.718 1.00 0.00 C ATOM 2397 CD2 LEU A 161 2.677 10.254 5.505 1.00 0.00 C ATOM 0 H LEU A 161 6.124 7.996 2.667 1.00 0.00 H new ATOM 0 HA LEU A 161 3.784 7.601 4.448 1.00 0.00 H new ATOM 0 HB2 LEU A 161 5.906 9.277 4.846 1.00 0.00 H new ATOM 0 HB3 LEU A 161 4.836 10.321 3.933 1.00 0.00 H new ATOM 0 HG LEU A 161 3.967 8.819 6.419 1.00 0.00 H new ATOM 0 HD11 LEU A 161 4.230 10.956 7.619 1.00 0.00 H new ATOM 0 HD12 LEU A 161 5.784 10.352 6.996 1.00 0.00 H new ATOM 0 HD13 LEU A 161 4.946 11.681 6.160 1.00 0.00 H new ATOM 0 HD21 LEU A 161 2.127 10.464 6.423 1.00 0.00 H new ATOM 0 HD22 LEU A 161 2.760 11.167 4.915 1.00 0.00 H new ATOM 0 HD23 LEU A 161 2.145 9.497 4.929 1.00 0.00 H new ATOM 2409 N GLU A 162 2.237 8.224 2.612 1.00 0.00 N ATOM 2410 CA GLU A 162 1.301 8.568 1.548 1.00 0.00 C ATOM 2411 C GLU A 162 0.240 9.548 2.029 1.00 0.00 C ATOM 2412 O GLU A 162 -0.203 9.494 3.177 1.00 0.00 O ATOM 2413 CB GLU A 162 0.629 7.304 1.007 1.00 0.00 C ATOM 2414 CG GLU A 162 1.602 6.320 0.375 1.00 0.00 C ATOM 2415 CD GLU A 162 2.143 6.808 -0.955 1.00 0.00 C ATOM 2416 OE1 GLU A 162 2.008 8.016 -1.246 1.00 0.00 O ATOM 2417 OE2 GLU A 162 2.702 5.982 -1.707 1.00 0.00 O ATOM 0 H GLU A 162 1.853 7.608 3.329 1.00 0.00 H new ATOM 0 HA GLU A 162 1.869 9.049 0.752 1.00 0.00 H new ATOM 0 HB2 GLU A 162 0.100 6.807 1.820 1.00 0.00 H new ATOM 0 HB3 GLU A 162 -0.119 7.589 0.267 1.00 0.00 H new ATOM 0 HG2 GLU A 162 2.433 6.146 1.059 1.00 0.00 H new ATOM 0 HG3 GLU A 162 1.102 5.362 0.230 1.00 0.00 H new ATOM 2424 N TYR A 163 -0.165 10.443 1.131 1.00 0.00 N ATOM 2425 CA TYR A 163 -1.180 11.441 1.441 1.00 0.00 C ATOM 2426 C TYR A 163 -2.211 11.520 0.318 1.00 0.00 C ATOM 2427 O TYR A 163 -1.939 11.125 -0.817 1.00 0.00 O ATOM 2428 CB TYR A 163 -0.531 12.810 1.652 1.00 0.00 C ATOM 2429 CG TYR A 163 -1.476 13.848 2.212 1.00 0.00 C ATOM 2430 CD1 TYR A 163 -1.641 13.998 3.582 1.00 0.00 C ATOM 2431 CD2 TYR A 163 -2.203 14.679 1.369 1.00 0.00 C ATOM 2432 CE1 TYR A 163 -2.504 14.945 4.098 1.00 0.00 C ATOM 2433 CE2 TYR A 163 -3.069 15.629 1.877 1.00 0.00 C ATOM 2434 CZ TYR A 163 -3.216 15.760 3.241 1.00 0.00 C ATOM 2435 OH TYR A 163 -4.076 16.704 3.751 1.00 0.00 O ATOM 0 H TYR A 163 0.198 10.496 0.179 1.00 0.00 H new ATOM 0 HA TYR A 163 -1.685 11.144 2.360 1.00 0.00 H new ATOM 0 HB2 TYR A 163 0.317 12.700 2.328 1.00 0.00 H new ATOM 0 HB3 TYR A 163 -0.136 13.166 0.700 1.00 0.00 H new ATOM 0 HD1 TYR A 163 -1.085 13.363 4.256 1.00 0.00 H new ATOM 0 HD2 TYR A 163 -2.090 14.581 0.299 1.00 0.00 H new ATOM 0 HE1 TYR A 163 -2.621 15.047 5.167 1.00 0.00 H new ATOM 0 HE2 TYR A 163 -3.628 16.266 1.208 1.00 0.00 H new ATOM 0 HH TYR A 163 -4.498 17.194 3.015 1.00 0.00 H new ATOM 2445 N GLN A 164 -3.394 12.030 0.644 1.00 0.00 N ATOM 2446 CA GLN A 164 -4.466 12.159 -0.339 1.00 0.00 C ATOM 2447 C GLN A 164 -4.672 13.617 -0.735 1.00 0.00 C ATOM 2448 O GLN A 164 -4.915 14.475 0.116 1.00 0.00 O ATOM 2449 CB GLN A 164 -5.767 11.577 0.220 1.00 0.00 C ATOM 2450 CG GLN A 164 -6.475 10.638 -0.744 1.00 0.00 C ATOM 2451 CD GLN A 164 -7.502 11.349 -1.602 1.00 0.00 C ATOM 2452 OE1 GLN A 164 -8.703 11.268 -1.350 1.00 0.00 O ATOM 2453 NE2 GLN A 164 -7.031 12.053 -2.626 1.00 0.00 N ATOM 0 H GLN A 164 -3.635 12.360 1.578 1.00 0.00 H new ATOM 0 HA GLN A 164 -4.179 11.601 -1.230 1.00 0.00 H new ATOM 0 HB2 GLN A 164 -5.548 11.040 1.143 1.00 0.00 H new ATOM 0 HB3 GLN A 164 -6.440 12.395 0.478 1.00 0.00 H new ATOM 0 HG2 GLN A 164 -5.737 10.161 -1.388 1.00 0.00 H new ATOM 0 HG3 GLN A 164 -6.965 9.845 -0.179 1.00 0.00 H new ATOM 0 HE21 GLN A 164 -6.026 12.093 -2.798 1.00 0.00 H new ATOM 0 HE22 GLN A 164 -7.674 12.553 -3.240 1.00 0.00 H new ATOM 2724 N LEU A 184 -3.878 10.529 5.867 1.00 0.00 N ATOM 2725 CA LEU A 184 -2.438 10.340 6.008 1.00 0.00 C ATOM 2726 C LEU A 184 -2.122 8.913 6.447 1.00 0.00 C ATOM 2727 O LEU A 184 -2.634 8.438 7.460 1.00 0.00 O ATOM 2728 CB LEU A 184 -1.870 11.337 7.019 1.00 0.00 C ATOM 2729 CG LEU A 184 -2.290 12.792 6.800 1.00 0.00 C ATOM 2730 CD1 LEU A 184 -3.660 13.052 7.407 1.00 0.00 C ATOM 2731 CD2 LEU A 184 -1.256 13.740 7.388 1.00 0.00 C ATOM 0 HA LEU A 184 -1.973 10.515 5.038 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -2.178 11.032 8.019 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -0.782 11.281 6.990 1.00 0.00 H new ATOM 0 HG LEU A 184 -2.352 12.973 5.727 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -3.940 14.092 7.241 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -4.396 12.398 6.938 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -3.627 12.852 8.478 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -1.571 14.770 7.223 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -1.161 13.557 8.458 1.00 0.00 H new ATOM 0 HD23 LEU A 184 -0.293 13.573 6.905 1.00 0.00 H new ATOM 2743 N SER A 185 -1.276 8.234 5.679 1.00 0.00 N ATOM 2744 CA SER A 185 -0.897 6.860 5.993 1.00 0.00 C ATOM 2745 C SER A 185 0.619 6.697 6.003 1.00 0.00 C ATOM 2746 O SER A 185 1.327 7.330 5.219 1.00 0.00 O ATOM 2747 CB SER A 185 -1.517 5.897 4.980 1.00 0.00 C ATOM 2748 OG SER A 185 -1.060 4.572 5.189 1.00 0.00 O ATOM 0 H SER A 185 -0.841 8.611 4.837 1.00 0.00 H new ATOM 0 HA SER A 185 -1.273 6.626 6.989 1.00 0.00 H new ATOM 0 HB2 SER A 185 -2.603 5.927 5.063 1.00 0.00 H new ATOM 0 HB3 SER A 185 -1.265 6.216 3.969 1.00 0.00 H new ATOM 0 HG SER A 185 -0.929 4.419 6.148 1.00 0.00 H new ATOM 2754 N LEU A 186 1.111 5.838 6.891 1.00 0.00 N ATOM 2755 CA LEU A 186 2.546 5.585 6.997 1.00 0.00 C ATOM 2756 C LEU A 186 2.824 4.088 7.042 1.00 0.00 C ATOM 2757 O LEU A 186 2.132 3.339 7.731 1.00 0.00 O ATOM 2758 CB LEU A 186 3.141 6.271 8.238 1.00 0.00 C ATOM 2759 CG LEU A 186 2.134 6.937 9.180 1.00 0.00 C ATOM 2760 CD1 LEU A 186 1.451 5.898 10.054 1.00 0.00 C ATOM 2761 CD2 LEU A 186 2.827 7.987 10.041 1.00 0.00 C ATOM 0 H LEU A 186 0.539 5.306 7.547 1.00 0.00 H new ATOM 0 HA LEU A 186 3.024 6.006 6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 186 3.704 5.529 8.805 1.00 0.00 H new ATOM 0 HB3 LEU A 186 3.853 7.026 7.906 1.00 0.00 H new ATOM 0 HG LEU A 186 1.372 7.431 8.577 1.00 0.00 H new ATOM 0 HD11 LEU A 186 0.739 6.391 10.716 1.00 0.00 H new ATOM 0 HD12 LEU A 186 0.924 5.182 9.424 1.00 0.00 H new ATOM 0 HD13 LEU A 186 2.199 5.375 10.650 1.00 0.00 H new ATOM 0 HD21 LEU A 186 2.098 8.452 10.705 1.00 0.00 H new ATOM 0 HD22 LEU A 186 3.608 7.513 10.635 1.00 0.00 H new ATOM 0 HD23 LEU A 186 3.270 8.749 9.400 1.00 0.00 H new ATOM 2773 N GLY A 187 3.839 3.653 6.300 1.00 0.00 N ATOM 2774 CA GLY A 187 4.176 2.241 6.272 1.00 0.00 C ATOM 2775 C GLY A 187 5.629 1.987 5.921 1.00 0.00 C ATOM 2776 O GLY A 187 6.407 2.924 5.741 1.00 0.00 O ATOM 0 H GLY A 187 4.431 4.249 5.721 1.00 0.00 H new ATOM 0 HA2 GLY A 187 3.961 1.802 7.246 1.00 0.00 H new ATOM 0 HA3 GLY A 187 3.539 1.735 5.547 1.00 0.00 H new ATOM 2780 N VAL A 188 5.987 0.712 5.815 1.00 0.00 N ATOM 2781 CA VAL A 188 7.351 0.323 5.472 1.00 0.00 C ATOM 2782 C VAL A 188 7.350 -0.625 4.279 1.00 0.00 C ATOM 2783 O VAL A 188 6.533 -1.544 4.208 1.00 0.00 O ATOM 2784 CB VAL A 188 8.080 -0.348 6.656 1.00 0.00 C ATOM 2785 CG1 VAL A 188 8.710 0.704 7.558 1.00 0.00 C ATOM 2786 CG2 VAL A 188 7.136 -1.239 7.450 1.00 0.00 C ATOM 0 H VAL A 188 5.351 -0.071 5.962 1.00 0.00 H new ATOM 0 HA VAL A 188 7.887 1.238 5.218 1.00 0.00 H new ATOM 0 HB VAL A 188 8.872 -0.978 6.251 1.00 0.00 H new ATOM 0 HG11 VAL A 188 9.220 0.214 8.388 1.00 0.00 H new ATOM 0 HG12 VAL A 188 9.429 1.291 6.986 1.00 0.00 H new ATOM 0 HG13 VAL A 188 7.933 1.362 7.947 1.00 0.00 H new ATOM 0 HG21 VAL A 188 7.678 -1.698 8.277 1.00 0.00 H new ATOM 0 HG22 VAL A 188 6.314 -0.640 7.842 1.00 0.00 H new ATOM 0 HG23 VAL A 188 6.739 -2.019 6.800 1.00 0.00 H new ATOM 2796 N SER A 189 8.257 -0.393 3.335 1.00 0.00 N ATOM 2797 CA SER A 189 8.337 -1.227 2.142 1.00 0.00 C ATOM 2798 C SER A 189 9.764 -1.690 1.872 1.00 0.00 C ATOM 2799 O SER A 189 10.723 -1.160 2.432 1.00 0.00 O ATOM 2800 CB SER A 189 7.805 -0.463 0.929 1.00 0.00 C ATOM 2801 OG SER A 189 8.748 0.491 0.472 1.00 0.00 O ATOM 0 H SER A 189 8.943 0.361 3.373 1.00 0.00 H new ATOM 0 HA SER A 189 7.723 -2.111 2.317 1.00 0.00 H new ATOM 0 HB2 SER A 189 7.574 -1.164 0.127 1.00 0.00 H new ATOM 0 HB3 SER A 189 6.874 0.039 1.191 1.00 0.00 H new ATOM 0 HG SER A 189 8.384 0.965 -0.305 1.00 0.00 H new ATOM 2807 N TYR A 190 9.886 -2.685 0.999 1.00 0.00 N ATOM 2808 CA TYR A 190 11.181 -3.235 0.629 1.00 0.00 C ATOM 2809 C TYR A 190 11.367 -3.190 -0.884 1.00 0.00 C ATOM 2810 O TYR A 190 10.415 -3.393 -1.643 1.00 0.00 O ATOM 2811 CB TYR A 190 11.309 -4.677 1.127 1.00 0.00 C ATOM 2812 CG TYR A 190 11.018 -4.841 2.602 1.00 0.00 C ATOM 2813 CD1 TYR A 190 9.754 -4.580 3.116 1.00 0.00 C ATOM 2814 CD2 TYR A 190 12.009 -5.259 3.482 1.00 0.00 C ATOM 2815 CE1 TYR A 190 9.485 -4.730 4.463 1.00 0.00 C ATOM 2816 CE2 TYR A 190 11.748 -5.412 4.831 1.00 0.00 C ATOM 2817 CZ TYR A 190 10.486 -5.146 5.315 1.00 0.00 C ATOM 2818 OH TYR A 190 10.222 -5.297 6.657 1.00 0.00 O ATOM 0 H TYR A 190 9.095 -3.129 0.532 1.00 0.00 H new ATOM 0 HA TYR A 190 11.957 -2.629 1.097 1.00 0.00 H new ATOM 0 HB2 TYR A 190 10.627 -5.310 0.559 1.00 0.00 H new ATOM 0 HB3 TYR A 190 12.319 -5.034 0.923 1.00 0.00 H new ATOM 0 HD1 TYR A 190 8.968 -4.254 2.451 1.00 0.00 H new ATOM 0 HD2 TYR A 190 13.000 -5.468 3.106 1.00 0.00 H new ATOM 0 HE1 TYR A 190 8.497 -4.523 4.846 1.00 0.00 H new ATOM 0 HE2 TYR A 190 12.529 -5.738 5.502 1.00 0.00 H new ATOM 0 HH TYR A 190 11.033 -5.597 7.118 1.00 0.00 H new ATOM 2828 N ARG A 191 12.592 -2.919 -1.318 1.00 0.00 N ATOM 2829 CA ARG A 191 12.901 -2.843 -2.741 1.00 0.00 C ATOM 2830 C ARG A 191 13.729 -4.045 -3.183 1.00 0.00 C ATOM 2831 O ARG A 191 14.535 -4.572 -2.415 1.00 0.00 O ATOM 2832 CB ARG A 191 13.653 -1.549 -3.055 1.00 0.00 C ATOM 2833 CG ARG A 191 13.053 -0.319 -2.393 1.00 0.00 C ATOM 2834 CD ARG A 191 14.080 0.793 -2.248 1.00 0.00 C ATOM 2835 NE ARG A 191 14.045 1.721 -3.376 1.00 0.00 N ATOM 2836 CZ ARG A 191 14.558 2.949 -3.342 1.00 0.00 C ATOM 2837 NH1 ARG A 191 15.147 3.400 -2.240 1.00 0.00 N ATOM 2838 NH2 ARG A 191 14.483 3.728 -4.412 1.00 0.00 N ATOM 0 H ARG A 191 13.389 -2.748 -0.704 1.00 0.00 H new ATOM 0 HA ARG A 191 11.960 -2.850 -3.291 1.00 0.00 H new ATOM 0 HB2 ARG A 191 14.689 -1.654 -2.735 1.00 0.00 H new ATOM 0 HB3 ARG A 191 13.667 -1.400 -4.135 1.00 0.00 H new ATOM 0 HG2 ARG A 191 12.209 0.038 -2.984 1.00 0.00 H new ATOM 0 HG3 ARG A 191 12.664 -0.587 -1.411 1.00 0.00 H new ATOM 0 HD2 ARG A 191 13.895 1.339 -1.323 1.00 0.00 H new ATOM 0 HD3 ARG A 191 15.076 0.358 -2.167 1.00 0.00 H new ATOM 0 HE ARG A 191 13.602 1.410 -4.240 1.00 0.00 H new ATOM 0 HH11 ARG A 191 15.208 2.805 -1.414 1.00 0.00 H new ATOM 0 HH12 ARG A 191 15.538 4.342 -2.220 1.00 0.00 H new ATOM 0 HH21 ARG A 191 14.032 3.386 -5.261 1.00 0.00 H new ATOM 0 HH22 ARG A 191 14.876 4.669 -4.386 1.00 0.00 H new