USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 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 20 TYR OH : rot 143:sc= 0.282 USER MOD Set 1.2: A 99 LYS NZ :NH3+ 168:sc= 0.475 (180deg=0.116) USER MOD Set 2.1: A 18 THR OG1 : rot 6:sc= 0.824 USER MOD Set 2.2: A 61 GLN : amide:sc=-0.00547 X(o=0.82,f=0.82) USER MOD Single : A 24 LYS NZ :NH3+ -146:sc= -0.427 (180deg=-0.722) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl -141:sc= -3.67 (180deg=-5.63!) 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= 0.392 K(o=0.39,f=-1.3) USER MOD Single : A 97 THR OG1 : rot 177:sc= -2.47! 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= -0.989 USER MOD Single : A 117 MET CE :methyl -172:sc= -1.12 (180deg=-1.49) USER MOD Single : A 142 SER OG : rot 180:sc= -0.0963 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= -1.49 K(o=-1.5,f=-8.1!) USER MOD Single : A 185 SER OG : rot 180:sc= -1.01 USER MOD Single : A 189 SER OG : rot 150:sc= -0.446 USER MOD Single : A 190 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 275 N THR A 18 12.421 -4.376 -11.470 1.00 0.00 N ATOM 276 CA THR A 18 12.546 -3.982 -10.071 1.00 0.00 C ATOM 277 C THR A 18 11.172 -3.731 -9.457 1.00 0.00 C ATOM 278 O THR A 18 10.342 -3.032 -10.039 1.00 0.00 O ATOM 279 CB THR A 18 13.415 -2.726 -9.946 1.00 0.00 C ATOM 280 OG1 THR A 18 14.022 -2.407 -11.185 1.00 0.00 O ATOM 281 CG2 THR A 18 14.517 -2.863 -8.918 1.00 0.00 C ATOM 0 HA THR A 18 13.025 -4.797 -9.529 1.00 0.00 H new ATOM 0 HB THR A 18 12.735 -1.936 -9.626 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.680 -3.006 -11.881 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.095 -1.940 -8.879 1.00 0.00 H new ATOM 0 HG22 THR A 18 14.079 -3.059 -7.939 1.00 0.00 H new ATOM 0 HG23 THR A 18 15.172 -3.690 -9.194 1.00 0.00 H new ATOM 289 N TRP A 19 10.937 -4.306 -8.283 1.00 0.00 N ATOM 290 CA TRP A 19 9.658 -4.141 -7.602 1.00 0.00 C ATOM 291 C TRP A 19 9.826 -4.219 -6.089 1.00 0.00 C ATOM 292 O TRP A 19 10.701 -4.923 -5.584 1.00 0.00 O ATOM 293 CB TRP A 19 8.668 -5.210 -8.071 1.00 0.00 C ATOM 294 CG TRP A 19 9.175 -6.610 -7.889 1.00 0.00 C ATOM 295 CD1 TRP A 19 9.778 -7.391 -8.832 1.00 0.00 C ATOM 296 CD2 TRP A 19 9.122 -7.391 -6.691 1.00 0.00 C ATOM 297 NE1 TRP A 19 10.103 -8.614 -8.292 1.00 0.00 N ATOM 298 CE2 TRP A 19 9.710 -8.637 -6.980 1.00 0.00 C ATOM 299 CE3 TRP A 19 8.635 -7.159 -5.401 1.00 0.00 C ATOM 300 CZ2 TRP A 19 9.824 -9.646 -6.026 1.00 0.00 C ATOM 301 CZ3 TRP A 19 8.748 -8.161 -4.457 1.00 0.00 C ATOM 302 CH2 TRP A 19 9.339 -9.391 -4.773 1.00 0.00 C ATOM 0 H TRP A 19 11.611 -4.887 -7.785 1.00 0.00 H new ATOM 0 HA TRP A 19 9.269 -3.154 -7.853 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.733 -5.095 -7.522 1.00 0.00 H new ATOM 0 HB3 TRP A 19 8.441 -5.047 -9.125 1.00 0.00 H new ATOM 0 HD1 TRP A 19 9.972 -7.093 -9.852 1.00 0.00 H new ATOM 0 HE1 TRP A 19 10.562 -9.379 -8.788 1.00 0.00 H new ATOM 0 HE3 TRP A 19 8.179 -6.214 -5.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 10.279 -10.595 -6.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 8.374 -7.993 -3.458 1.00 0.00 H new ATOM 0 HH2 TRP A 19 9.413 -10.153 -4.012 1.00 0.00 H new ATOM 313 N TYR A 20 8.976 -3.491 -5.370 1.00 0.00 N ATOM 314 CA TYR A 20 9.021 -3.476 -3.913 1.00 0.00 C ATOM 315 C TYR A 20 7.632 -3.706 -3.330 1.00 0.00 C ATOM 316 O TYR A 20 6.634 -3.237 -3.877 1.00 0.00 O ATOM 317 CB TYR A 20 9.589 -2.148 -3.408 1.00 0.00 C ATOM 318 CG TYR A 20 9.058 -0.938 -4.142 1.00 0.00 C ATOM 319 CD1 TYR A 20 7.823 -0.391 -3.819 1.00 0.00 C ATOM 320 CD2 TYR A 20 9.795 -0.341 -5.158 1.00 0.00 C ATOM 321 CE1 TYR A 20 7.336 0.717 -4.488 1.00 0.00 C ATOM 322 CE2 TYR A 20 9.315 0.767 -5.831 1.00 0.00 C ATOM 323 CZ TYR A 20 8.086 1.292 -5.491 1.00 0.00 C ATOM 324 OH TYR A 20 7.606 2.394 -6.158 1.00 0.00 O ATOM 0 H TYR A 20 8.247 -2.903 -5.774 1.00 0.00 H new ATOM 0 HA TYR A 20 9.674 -4.284 -3.585 1.00 0.00 H new ATOM 0 HB2 TYR A 20 9.361 -2.046 -2.347 1.00 0.00 H new ATOM 0 HB3 TYR A 20 10.675 -2.170 -3.500 1.00 0.00 H new ATOM 0 HD1 TYR A 20 7.233 -0.838 -3.032 1.00 0.00 H new ATOM 0 HD2 TYR A 20 10.758 -0.749 -5.426 1.00 0.00 H new ATOM 0 HE1 TYR A 20 6.373 1.130 -4.226 1.00 0.00 H new ATOM 0 HE2 TYR A 20 9.899 1.219 -6.619 1.00 0.00 H new ATOM 0 HH TYR A 20 8.347 3.004 -6.358 1.00 0.00 H new ATOM 334 N ALA A 21 7.572 -4.432 -2.217 1.00 0.00 N ATOM 335 CA ALA A 21 6.300 -4.723 -1.566 1.00 0.00 C ATOM 336 C ALA A 21 6.360 -4.415 -0.075 1.00 0.00 C ATOM 337 O ALA A 21 7.415 -4.522 0.550 1.00 0.00 O ATOM 338 CB ALA A 21 5.914 -6.177 -1.791 1.00 0.00 C ATOM 0 H ALA A 21 8.387 -4.828 -1.749 1.00 0.00 H new ATOM 0 HA ALA A 21 5.539 -4.082 -2.011 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.963 -6.381 -1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.819 -6.367 -2.860 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.684 -6.826 -1.375 1.00 0.00 H new ATOM 344 N GLY A 22 5.219 -4.034 0.492 1.00 0.00 N ATOM 345 CA GLY A 22 5.165 -3.717 1.907 1.00 0.00 C ATOM 346 C GLY A 22 3.752 -3.502 2.406 1.00 0.00 C ATOM 347 O GLY A 22 2.788 -3.941 1.777 1.00 0.00 O ATOM 0 H GLY A 22 4.332 -3.939 -0.003 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.627 -4.526 2.474 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.753 -2.819 2.096 1.00 0.00 H new ATOM 351 N GLY A 23 3.627 -2.822 3.542 1.00 0.00 N ATOM 352 CA GLY A 23 2.319 -2.557 4.111 1.00 0.00 C ATOM 353 C GLY A 23 2.150 -1.107 4.516 1.00 0.00 C ATOM 354 O GLY A 23 3.092 -0.476 5.009 1.00 0.00 O ATOM 0 H GLY A 23 4.410 -2.449 4.079 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.550 -2.821 3.385 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.168 -3.195 4.982 1.00 0.00 H new ATOM 358 N LYS A 24 0.948 -0.573 4.306 1.00 0.00 N ATOM 359 CA LYS A 24 0.656 0.814 4.649 1.00 0.00 C ATOM 360 C LYS A 24 -0.594 0.914 5.522 1.00 0.00 C ATOM 361 O LYS A 24 -1.578 0.207 5.303 1.00 0.00 O ATOM 362 CB LYS A 24 0.477 1.648 3.379 1.00 0.00 C ATOM 363 CG LYS A 24 1.370 2.879 3.330 1.00 0.00 C ATOM 364 CD LYS A 24 0.567 4.144 3.070 1.00 0.00 C ATOM 365 CE LYS A 24 -0.168 4.074 1.743 1.00 0.00 C ATOM 366 NZ LYS A 24 0.724 3.637 0.634 1.00 0.00 N ATOM 0 H LYS A 24 0.162 -1.081 3.900 1.00 0.00 H new ATOM 0 HA LYS A 24 1.500 1.205 5.217 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.686 1.023 2.511 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.564 1.961 3.303 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.908 2.976 4.273 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.118 2.755 2.547 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.150 4.293 3.877 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.234 5.006 3.073 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.006 3.382 1.829 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.586 5.053 1.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.442 4.114 -0.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.708 3.884 0.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.645 2.607 0.510 1.00 0.00 H new ATOM 380 N LEU A 25 -0.542 1.804 6.508 1.00 0.00 N ATOM 381 CA LEU A 25 -1.662 2.014 7.417 1.00 0.00 C ATOM 382 C LEU A 25 -2.021 3.496 7.488 1.00 0.00 C ATOM 383 O LEU A 25 -1.140 4.359 7.488 1.00 0.00 O ATOM 384 CB LEU A 25 -1.321 1.484 8.815 1.00 0.00 C ATOM 385 CG LEU A 25 -2.321 1.849 9.917 1.00 0.00 C ATOM 386 CD1 LEU A 25 -3.737 1.467 9.509 1.00 0.00 C ATOM 387 CD2 LEU A 25 -1.940 1.170 11.227 1.00 0.00 C ATOM 0 H LEU A 25 0.268 2.394 6.698 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.523 1.466 7.036 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.242 0.398 8.764 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.339 1.862 9.099 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.289 2.929 10.064 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.430 1.735 10.306 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.009 1.999 8.597 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.787 0.393 9.331 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.660 1.440 11.999 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.942 0.089 11.090 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.945 1.496 11.530 1.00 0.00 H new ATOM 399 N GLY A 26 -3.317 3.786 7.546 1.00 0.00 N ATOM 400 CA GLY A 26 -3.765 5.164 7.613 1.00 0.00 C ATOM 401 C GLY A 26 -5.259 5.281 7.840 1.00 0.00 C ATOM 402 O GLY A 26 -5.941 4.281 8.066 1.00 0.00 O ATOM 0 H GLY A 26 -4.064 3.092 7.548 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.238 5.675 8.419 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.501 5.673 6.686 1.00 0.00 H new ATOM 799 N GLY A 53 -7.774 2.062 8.372 1.00 0.00 N ATOM 800 CA GLY A 53 -7.611 1.153 7.253 1.00 0.00 C ATOM 801 C GLY A 53 -6.167 0.738 7.049 1.00 0.00 C ATOM 802 O GLY A 53 -5.261 1.570 7.103 1.00 0.00 O ATOM 0 HA2 GLY A 53 -8.221 0.265 7.418 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.981 1.629 6.345 1.00 0.00 H new ATOM 806 N ALA A 54 -5.954 -0.553 6.812 1.00 0.00 N ATOM 807 CA ALA A 54 -4.613 -1.078 6.597 1.00 0.00 C ATOM 808 C ALA A 54 -4.587 -2.031 5.408 1.00 0.00 C ATOM 809 O ALA A 54 -5.472 -2.874 5.256 1.00 0.00 O ATOM 810 CB ALA A 54 -4.113 -1.781 7.852 1.00 0.00 C ATOM 0 H ALA A 54 -6.694 -1.253 6.764 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.950 -0.241 6.376 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.109 -2.168 7.677 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -4.089 -1.073 8.681 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.782 -2.605 8.098 1.00 0.00 H new ATOM 816 N GLY A 55 -3.572 -1.894 4.563 1.00 0.00 N ATOM 817 CA GLY A 55 -3.464 -2.753 3.400 1.00 0.00 C ATOM 818 C GLY A 55 -2.042 -2.874 2.893 1.00 0.00 C ATOM 819 O GLY A 55 -1.167 -2.103 3.282 1.00 0.00 O ATOM 0 H GLY A 55 -2.825 -1.206 4.662 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.842 -3.744 3.649 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.097 -2.361 2.604 1.00 0.00 H new ATOM 823 N ALA A 56 -1.817 -3.847 2.016 1.00 0.00 N ATOM 824 CA ALA A 56 -0.495 -4.071 1.447 1.00 0.00 C ATOM 825 C ALA A 56 -0.358 -3.360 0.106 1.00 0.00 C ATOM 826 O ALA A 56 -1.351 -3.102 -0.575 1.00 0.00 O ATOM 827 CB ALA A 56 -0.233 -5.560 1.288 1.00 0.00 C ATOM 0 H ALA A 56 -2.534 -4.492 1.685 1.00 0.00 H new ATOM 0 HA ALA A 56 0.247 -3.658 2.130 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.759 -5.711 0.862 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.287 -6.045 2.263 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.983 -5.993 0.625 1.00 0.00 H new ATOM 833 N PHE A 57 0.875 -3.042 -0.270 1.00 0.00 N ATOM 834 CA PHE A 57 1.133 -2.359 -1.531 1.00 0.00 C ATOM 835 C PHE A 57 2.427 -2.852 -2.168 1.00 0.00 C ATOM 836 O PHE A 57 3.461 -2.951 -1.506 1.00 0.00 O ATOM 837 CB PHE A 57 1.204 -0.847 -1.310 1.00 0.00 C ATOM 838 CG PHE A 57 -0.143 -0.200 -1.156 1.00 0.00 C ATOM 839 CD1 PHE A 57 -0.944 0.035 -2.263 1.00 0.00 C ATOM 840 CD2 PHE A 57 -0.609 0.174 0.095 1.00 0.00 C ATOM 841 CE1 PHE A 57 -2.184 0.630 -2.123 1.00 0.00 C ATOM 842 CE2 PHE A 57 -1.846 0.769 0.239 1.00 0.00 C ATOM 843 CZ PHE A 57 -2.635 0.998 -0.871 1.00 0.00 C ATOM 0 H PHE A 57 1.710 -3.246 0.279 1.00 0.00 H new ATOM 0 HA PHE A 57 0.310 -2.584 -2.209 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.799 -0.646 -0.419 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.724 -0.389 -2.151 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.596 -0.250 -3.245 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.003 -0.002 0.967 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.800 0.807 -2.993 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.197 1.055 1.219 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.603 1.464 -0.760 1.00 0.00 H new ATOM 853 N GLY A 58 2.361 -3.158 -3.459 1.00 0.00 N ATOM 854 CA GLY A 58 3.531 -3.632 -4.173 1.00 0.00 C ATOM 855 C GLY A 58 3.753 -2.889 -5.473 1.00 0.00 C ATOM 856 O GLY A 58 2.861 -2.824 -6.319 1.00 0.00 O ATOM 0 H GLY A 58 1.515 -3.086 -4.025 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.410 -3.520 -3.539 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.421 -4.696 -4.380 1.00 0.00 H new ATOM 860 N GLY A 59 4.944 -2.320 -5.633 1.00 0.00 N ATOM 861 CA GLY A 59 5.256 -1.581 -6.842 1.00 0.00 C ATOM 862 C GLY A 59 6.087 -2.390 -7.818 1.00 0.00 C ATOM 863 O GLY A 59 7.099 -2.979 -7.441 1.00 0.00 O ATOM 0 H GLY A 59 5.698 -2.358 -4.947 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.329 -1.274 -7.326 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.794 -0.671 -6.579 1.00 0.00 H new ATOM 867 N TYR A 60 5.658 -2.416 -9.075 1.00 0.00 N ATOM 868 CA TYR A 60 6.368 -3.157 -10.112 1.00 0.00 C ATOM 869 C TYR A 60 6.779 -2.233 -11.253 1.00 0.00 C ATOM 870 O TYR A 60 5.935 -1.601 -11.888 1.00 0.00 O ATOM 871 CB TYR A 60 5.493 -4.290 -10.648 1.00 0.00 C ATOM 872 CG TYR A 60 5.324 -5.437 -9.677 1.00 0.00 C ATOM 873 CD1 TYR A 60 4.722 -5.243 -8.440 1.00 0.00 C ATOM 874 CD2 TYR A 60 5.767 -6.714 -9.998 1.00 0.00 C ATOM 875 CE1 TYR A 60 4.566 -6.288 -7.551 1.00 0.00 C ATOM 876 CE2 TYR A 60 5.615 -7.764 -9.114 1.00 0.00 C ATOM 877 CZ TYR A 60 5.015 -7.547 -7.891 1.00 0.00 C ATOM 878 OH TYR A 60 4.862 -8.591 -7.008 1.00 0.00 O ATOM 0 H TYR A 60 4.821 -1.932 -9.401 1.00 0.00 H new ATOM 0 HA TYR A 60 7.269 -3.582 -9.669 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.511 -3.891 -10.900 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.930 -4.669 -11.572 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.370 -4.258 -8.169 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.238 -6.888 -10.954 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.095 -6.120 -6.594 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.964 -8.751 -9.379 1.00 0.00 H new ATOM 0 HH TYR A 60 5.230 -9.409 -7.402 1.00 0.00 H new ATOM 888 N GLN A 61 8.082 -2.159 -11.508 1.00 0.00 N ATOM 889 CA GLN A 61 8.603 -1.313 -12.573 1.00 0.00 C ATOM 890 C GLN A 61 8.931 -2.137 -13.814 1.00 0.00 C ATOM 891 O GLN A 61 9.531 -3.207 -13.719 1.00 0.00 O ATOM 892 CB GLN A 61 9.853 -0.569 -12.098 1.00 0.00 C ATOM 893 CG GLN A 61 10.374 0.449 -13.098 1.00 0.00 C ATOM 894 CD GLN A 61 11.752 0.099 -13.627 1.00 0.00 C ATOM 895 OE1 GLN A 61 11.926 -0.153 -14.819 1.00 0.00 O ATOM 896 NE2 GLN A 61 12.738 0.079 -12.739 1.00 0.00 N ATOM 0 H GLN A 61 8.795 -2.675 -10.991 1.00 0.00 H new ATOM 0 HA GLN A 61 7.832 -0.587 -12.834 1.00 0.00 H new ATOM 0 HB2 GLN A 61 9.629 -0.062 -11.160 1.00 0.00 H new ATOM 0 HB3 GLN A 61 10.639 -1.294 -11.888 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.677 0.522 -13.933 1.00 0.00 H new ATOM 0 HG3 GLN A 61 10.409 1.431 -12.626 1.00 0.00 H new ATOM 0 HE21 GLN A 61 12.547 0.295 -11.760 1.00 0.00 H new ATOM 0 HE22 GLN A 61 13.686 -0.152 -13.035 1.00 0.00 H new ATOM 970 N LEU A 66 6.874 4.577 -15.491 1.00 0.00 N ATOM 971 CA LEU A 66 5.892 4.256 -14.462 1.00 0.00 C ATOM 972 C LEU A 66 5.817 2.753 -14.217 1.00 0.00 C ATOM 973 O LEU A 66 6.290 1.955 -15.027 1.00 0.00 O ATOM 974 CB LEU A 66 4.514 4.785 -14.864 1.00 0.00 C ATOM 975 CG LEU A 66 4.034 4.349 -16.251 1.00 0.00 C ATOM 976 CD1 LEU A 66 2.564 3.966 -16.215 1.00 0.00 C ATOM 977 CD2 LEU A 66 4.274 5.453 -17.270 1.00 0.00 C ATOM 0 HA LEU A 66 6.209 4.737 -13.537 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.785 4.456 -14.124 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.535 5.874 -14.829 1.00 0.00 H new ATOM 0 HG LEU A 66 4.608 3.472 -16.551 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.243 3.659 -17.211 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.420 3.141 -15.517 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.973 4.822 -15.891 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.927 5.125 -18.250 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.728 6.348 -16.972 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.339 5.678 -17.319 1.00 0.00 H new ATOM 989 N GLY A 67 5.211 2.375 -13.096 1.00 0.00 N ATOM 990 CA GLY A 67 5.074 0.971 -12.759 1.00 0.00 C ATOM 991 C GLY A 67 3.681 0.630 -12.268 1.00 0.00 C ATOM 992 O GLY A 67 2.894 1.522 -11.948 1.00 0.00 O ATOM 0 H GLY A 67 4.811 3.019 -12.413 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.306 0.365 -13.635 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.801 0.712 -11.990 1.00 0.00 H new ATOM 996 N PHE A 68 3.373 -0.660 -12.209 1.00 0.00 N ATOM 997 CA PHE A 68 2.064 -1.114 -11.753 1.00 0.00 C ATOM 998 C PHE A 68 2.029 -1.249 -10.235 1.00 0.00 C ATOM 999 O PHE A 68 2.934 -1.826 -9.633 1.00 0.00 O ATOM 1000 CB PHE A 68 1.709 -2.452 -12.405 1.00 0.00 C ATOM 1001 CG PHE A 68 1.914 -2.466 -13.893 1.00 0.00 C ATOM 1002 CD1 PHE A 68 1.397 -1.455 -14.687 1.00 0.00 C ATOM 1003 CD2 PHE A 68 2.626 -3.490 -14.499 1.00 0.00 C ATOM 1004 CE1 PHE A 68 1.583 -1.466 -16.056 1.00 0.00 C ATOM 1005 CE2 PHE A 68 2.815 -3.505 -15.867 1.00 0.00 C ATOM 1006 CZ PHE A 68 2.294 -2.492 -16.647 1.00 0.00 C ATOM 0 H PHE A 68 4.012 -1.411 -12.471 1.00 0.00 H new ATOM 0 HA PHE A 68 1.327 -0.367 -12.048 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.315 -3.239 -11.955 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.667 -2.688 -12.187 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.842 -0.649 -14.230 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.037 -4.285 -13.894 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.173 -0.673 -16.664 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.370 -4.309 -16.327 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.442 -2.502 -17.717 1.00 0.00 H new ATOM 1016 N GLU A 69 0.977 -0.715 -9.621 1.00 0.00 N ATOM 1017 CA GLU A 69 0.826 -0.776 -8.174 1.00 0.00 C ATOM 1018 C GLU A 69 -0.307 -1.715 -7.778 1.00 0.00 C ATOM 1019 O GLU A 69 -1.481 -1.429 -8.021 1.00 0.00 O ATOM 1020 CB GLU A 69 0.557 0.618 -7.604 1.00 0.00 C ATOM 1021 CG GLU A 69 0.481 0.645 -6.086 1.00 0.00 C ATOM 1022 CD GLU A 69 0.574 2.048 -5.519 1.00 0.00 C ATOM 1023 OE1 GLU A 69 1.647 2.672 -5.652 1.00 0.00 O ATOM 1024 OE2 GLU A 69 -0.425 2.520 -4.940 1.00 0.00 O ATOM 0 H GLU A 69 0.218 -0.236 -10.105 1.00 0.00 H new ATOM 0 HA GLU A 69 1.758 -1.161 -7.761 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.345 1.295 -7.933 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.380 0.996 -8.014 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.456 0.190 -5.765 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.288 0.038 -5.675 1.00 0.00 H new ATOM 1031 N MET A 70 0.056 -2.830 -7.155 1.00 0.00 N ATOM 1032 CA MET A 70 -0.922 -3.811 -6.705 1.00 0.00 C ATOM 1033 C MET A 70 -1.030 -3.778 -5.185 1.00 0.00 C ATOM 1034 O MET A 70 -0.089 -4.141 -4.479 1.00 0.00 O ATOM 1035 CB MET A 70 -0.528 -5.214 -7.172 1.00 0.00 C ATOM 1036 CG MET A 70 -1.063 -5.568 -8.551 1.00 0.00 C ATOM 1037 SD MET A 70 -2.750 -6.200 -8.500 1.00 0.00 S ATOM 1038 CE MET A 70 -3.667 -4.766 -9.056 1.00 0.00 C ATOM 0 H MET A 70 1.024 -3.077 -6.950 1.00 0.00 H new ATOM 0 HA MET A 70 -1.891 -3.561 -7.138 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.559 -5.293 -7.182 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.894 -5.944 -6.451 1.00 0.00 H new ATOM 0 HG2 MET A 70 -1.030 -4.684 -9.187 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.413 -6.314 -9.008 1.00 0.00 H new ATOM 0 HE1 MET A 70 -4.592 -4.682 -8.486 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.066 -3.869 -8.906 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.902 -4.872 -10.115 1.00 0.00 H new ATOM 1048 N GLY A 71 -2.176 -3.327 -4.683 1.00 0.00 N ATOM 1049 CA GLY A 71 -2.365 -3.244 -3.247 1.00 0.00 C ATOM 1050 C GLY A 71 -3.498 -4.113 -2.746 1.00 0.00 C ATOM 1051 O GLY A 71 -4.343 -4.559 -3.523 1.00 0.00 O ATOM 0 H GLY A 71 -2.972 -3.019 -5.242 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.442 -3.538 -2.748 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.561 -2.208 -2.972 1.00 0.00 H new ATOM 1055 N TYR A 72 -3.518 -4.350 -1.438 1.00 0.00 N ATOM 1056 CA TYR A 72 -4.556 -5.165 -0.822 1.00 0.00 C ATOM 1057 C TYR A 72 -5.183 -4.428 0.359 1.00 0.00 C ATOM 1058 O TYR A 72 -4.516 -4.160 1.357 1.00 0.00 O ATOM 1059 CB TYR A 72 -3.975 -6.504 -0.361 1.00 0.00 C ATOM 1060 CG TYR A 72 -4.648 -7.705 -0.987 1.00 0.00 C ATOM 1061 CD1 TYR A 72 -4.419 -8.038 -2.316 1.00 0.00 C ATOM 1062 CD2 TYR A 72 -5.511 -8.504 -0.249 1.00 0.00 C ATOM 1063 CE1 TYR A 72 -5.032 -9.135 -2.892 1.00 0.00 C ATOM 1064 CE2 TYR A 72 -6.128 -9.603 -0.818 1.00 0.00 C ATOM 1065 CZ TYR A 72 -5.886 -9.914 -2.140 1.00 0.00 C ATOM 1066 OH TYR A 72 -6.499 -11.005 -2.709 1.00 0.00 O ATOM 0 H TYR A 72 -2.824 -3.987 -0.784 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.332 -5.356 -1.564 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -2.911 -6.530 -0.598 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.062 -6.574 0.723 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.751 -7.430 -2.909 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -5.703 -8.263 0.786 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.843 -9.381 -3.926 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -6.796 -10.215 -0.230 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.067 -11.446 -2.043 1.00 0.00 H new ATOM 1076 N ASP A 73 -6.463 -4.098 0.231 1.00 0.00 N ATOM 1077 CA ASP A 73 -7.177 -3.383 1.284 1.00 0.00 C ATOM 1078 C ASP A 73 -7.610 -4.326 2.403 1.00 0.00 C ATOM 1079 O ASP A 73 -8.218 -5.369 2.153 1.00 0.00 O ATOM 1080 CB ASP A 73 -8.399 -2.668 0.702 1.00 0.00 C ATOM 1081 CG ASP A 73 -8.551 -1.256 1.235 1.00 0.00 C ATOM 1082 OD1 ASP A 73 -9.066 -1.099 2.361 1.00 0.00 O ATOM 1083 OD2 ASP A 73 -8.151 -0.308 0.525 1.00 0.00 O ATOM 0 H ASP A 73 -7.028 -4.314 -0.590 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.495 -2.646 1.708 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.315 -2.636 -0.384 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.297 -3.240 0.936 1.00 0.00 H new ATOM 1088 N TRP A 74 -7.294 -3.946 3.638 1.00 0.00 N ATOM 1089 CA TRP A 74 -7.648 -4.747 4.804 1.00 0.00 C ATOM 1090 C TRP A 74 -8.275 -3.872 5.888 1.00 0.00 C ATOM 1091 O TRP A 74 -7.684 -2.881 6.320 1.00 0.00 O ATOM 1092 CB TRP A 74 -6.411 -5.460 5.355 1.00 0.00 C ATOM 1093 CG TRP A 74 -6.486 -6.951 5.239 1.00 0.00 C ATOM 1094 CD1 TRP A 74 -7.603 -7.728 5.360 1.00 0.00 C ATOM 1095 CD2 TRP A 74 -5.399 -7.848 4.982 1.00 0.00 C ATOM 1096 NE1 TRP A 74 -7.276 -9.053 5.194 1.00 0.00 N ATOM 1097 CE2 TRP A 74 -5.930 -9.152 4.959 1.00 0.00 C ATOM 1098 CE3 TRP A 74 -4.029 -7.675 4.767 1.00 0.00 C ATOM 1099 CZ2 TRP A 74 -5.137 -10.275 4.730 1.00 0.00 C ATOM 1100 CZ3 TRP A 74 -3.244 -8.790 4.540 1.00 0.00 C ATOM 1101 CH2 TRP A 74 -3.800 -10.075 4.523 1.00 0.00 C ATOM 0 H TRP A 74 -6.792 -3.085 3.857 1.00 0.00 H new ATOM 0 HA TRP A 74 -8.378 -5.495 4.496 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.528 -5.105 4.823 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -6.281 -5.190 6.403 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -8.597 -7.356 5.557 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.929 -9.835 5.239 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -3.591 -6.688 4.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.563 -11.267 4.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -2.184 -8.668 4.373 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.160 -10.926 4.343 1.00 0.00 H new ATOM 1361 N GLN A 92 -11.758 -9.355 1.418 1.00 0.00 N ATOM 1362 CA GLN A 92 -10.414 -8.948 1.029 1.00 0.00 C ATOM 1363 C GLN A 92 -10.470 -7.872 -0.049 1.00 0.00 C ATOM 1364 O GLN A 92 -11.154 -8.032 -1.060 1.00 0.00 O ATOM 1365 CB GLN A 92 -9.619 -10.154 0.525 1.00 0.00 C ATOM 1366 CG GLN A 92 -9.070 -11.032 1.638 1.00 0.00 C ATOM 1367 CD GLN A 92 -9.397 -12.500 1.440 1.00 0.00 C ATOM 1368 OE1 GLN A 92 -8.827 -13.163 0.574 1.00 0.00 O ATOM 1369 NE2 GLN A 92 -10.319 -13.016 2.246 1.00 0.00 N ATOM 0 HA GLN A 92 -9.914 -8.536 1.905 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -10.259 -10.757 -0.119 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -8.791 -9.801 -0.089 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -7.988 -10.909 1.692 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -9.477 -10.699 2.593 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -10.766 -12.430 2.951 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -10.579 -13.999 2.160 1.00 0.00 H new ATOM 1378 N GLY A 93 -9.754 -6.774 0.173 1.00 0.00 N ATOM 1379 CA GLY A 93 -9.749 -5.691 -0.793 1.00 0.00 C ATOM 1380 C GLY A 93 -8.588 -5.772 -1.762 1.00 0.00 C ATOM 1381 O GLY A 93 -7.439 -5.943 -1.355 1.00 0.00 O ATOM 0 H GLY A 93 -9.180 -6.615 1.001 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.684 -5.705 -1.352 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.709 -4.739 -0.264 1.00 0.00 H new ATOM 1385 N VAL A 94 -8.888 -5.635 -3.051 1.00 0.00 N ATOM 1386 CA VAL A 94 -7.863 -5.677 -4.089 1.00 0.00 C ATOM 1387 C VAL A 94 -7.738 -4.313 -4.761 1.00 0.00 C ATOM 1388 O VAL A 94 -8.715 -3.783 -5.292 1.00 0.00 O ATOM 1389 CB VAL A 94 -8.162 -6.754 -5.162 1.00 0.00 C ATOM 1390 CG1 VAL A 94 -7.367 -8.021 -4.885 1.00 0.00 C ATOM 1391 CG2 VAL A 94 -9.651 -7.068 -5.230 1.00 0.00 C ATOM 0 H VAL A 94 -9.835 -5.494 -3.402 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.924 -5.940 -3.602 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.857 -6.353 -6.129 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.591 -8.765 -5.649 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -6.301 -7.793 -4.902 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -7.639 -8.414 -3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.828 -7.827 -5.992 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.989 -7.439 -4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.202 -6.163 -5.484 1.00 0.00 H new ATOM 1401 N GLN A 95 -6.540 -3.737 -4.717 1.00 0.00 N ATOM 1402 CA GLN A 95 -6.305 -2.421 -5.306 1.00 0.00 C ATOM 1403 C GLN A 95 -5.455 -2.512 -6.571 1.00 0.00 C ATOM 1404 O GLN A 95 -4.436 -3.203 -6.603 1.00 0.00 O ATOM 1405 CB GLN A 95 -5.625 -1.504 -4.288 1.00 0.00 C ATOM 1406 CG GLN A 95 -6.593 -0.608 -3.533 1.00 0.00 C ATOM 1407 CD GLN A 95 -5.884 0.408 -2.660 1.00 0.00 C ATOM 1408 OE1 GLN A 95 -5.040 1.168 -3.133 1.00 0.00 O ATOM 1409 NE2 GLN A 95 -6.227 0.430 -1.377 1.00 0.00 N ATOM 0 H GLN A 95 -5.719 -4.158 -4.282 1.00 0.00 H new ATOM 0 HA GLN A 95 -7.274 -2.005 -5.583 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -5.075 -2.115 -3.572 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.894 -0.881 -4.804 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -7.232 -0.087 -4.246 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -7.244 -1.224 -2.913 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -6.932 -0.218 -1.026 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -5.785 1.095 -0.742 1.00 0.00 H new ATOM 1418 N LEU A 96 -5.884 -1.793 -7.606 1.00 0.00 N ATOM 1419 CA LEU A 96 -5.177 -1.765 -8.880 1.00 0.00 C ATOM 1420 C LEU A 96 -4.940 -0.320 -9.310 1.00 0.00 C ATOM 1421 O LEU A 96 -5.889 0.408 -9.606 1.00 0.00 O ATOM 1422 CB LEU A 96 -5.985 -2.518 -9.944 1.00 0.00 C ATOM 1423 CG LEU A 96 -5.564 -2.274 -11.398 1.00 0.00 C ATOM 1424 CD1 LEU A 96 -5.593 -3.573 -12.187 1.00 0.00 C ATOM 1425 CD2 LEU A 96 -6.469 -1.234 -12.049 1.00 0.00 C ATOM 0 H LEU A 96 -6.726 -1.218 -7.584 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.211 -2.257 -8.766 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.913 -3.586 -9.739 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -7.034 -2.243 -9.838 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.543 -1.892 -11.401 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -5.291 -3.380 -13.217 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.906 -4.288 -11.735 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.603 -3.983 -12.176 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.155 -1.073 -13.081 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.500 -1.588 -12.034 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -6.400 -0.296 -11.499 1.00 0.00 H new ATOM 1437 N THR A 97 -3.678 0.102 -9.322 1.00 0.00 N ATOM 1438 CA THR A 97 -3.351 1.474 -9.696 1.00 0.00 C ATOM 1439 C THR A 97 -1.962 1.572 -10.318 1.00 0.00 C ATOM 1440 O THR A 97 -1.133 0.677 -10.164 1.00 0.00 O ATOM 1441 CB THR A 97 -3.428 2.384 -8.468 1.00 0.00 C ATOM 1442 OG1 THR A 97 -2.790 3.622 -8.720 1.00 0.00 O ATOM 1443 CG2 THR A 97 -2.788 1.787 -7.232 1.00 0.00 C ATOM 0 H THR A 97 -2.875 -0.478 -9.080 1.00 0.00 H new ATOM 0 HA THR A 97 -4.079 1.796 -10.441 1.00 0.00 H new ATOM 0 HB THR A 97 -4.493 2.516 -8.278 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.893 4.208 -7.941 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.880 2.486 -6.401 1.00 0.00 H new ATOM 0 HG22 THR A 97 -3.289 0.853 -6.978 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.734 1.591 -7.427 1.00 0.00 H new ATOM 1451 N ALA A 98 -1.718 2.681 -11.010 1.00 0.00 N ATOM 1452 CA ALA A 98 -0.429 2.924 -11.645 1.00 0.00 C ATOM 1453 C ALA A 98 0.400 3.878 -10.795 1.00 0.00 C ATOM 1454 O ALA A 98 -0.034 4.990 -10.494 1.00 0.00 O ATOM 1455 CB ALA A 98 -0.625 3.487 -13.044 1.00 0.00 C ATOM 0 H ALA A 98 -2.400 3.428 -11.145 1.00 0.00 H new ATOM 0 HA ALA A 98 0.106 1.978 -11.729 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.347 3.663 -13.505 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -1.189 2.775 -13.647 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -1.174 4.427 -12.984 1.00 0.00 H new ATOM 1461 N LYS A 99 1.587 3.437 -10.393 1.00 0.00 N ATOM 1462 CA LYS A 99 2.455 4.258 -9.558 1.00 0.00 C ATOM 1463 C LYS A 99 3.718 4.691 -10.296 1.00 0.00 C ATOM 1464 O LYS A 99 4.405 3.877 -10.915 1.00 0.00 O ATOM 1465 CB LYS A 99 2.833 3.499 -8.284 1.00 0.00 C ATOM 1466 CG LYS A 99 3.735 2.299 -8.530 1.00 0.00 C ATOM 1467 CD LYS A 99 5.067 2.445 -7.810 1.00 0.00 C ATOM 1468 CE LYS A 99 4.882 2.486 -6.300 1.00 0.00 C ATOM 1469 NZ LYS A 99 5.407 3.747 -5.711 1.00 0.00 N ATOM 0 H LYS A 99 1.968 2.521 -10.630 1.00 0.00 H new ATOM 0 HA LYS A 99 1.898 5.158 -9.298 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.333 4.184 -7.599 1.00 0.00 H new ATOM 0 HB3 LYS A 99 1.922 3.162 -7.789 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.235 1.391 -8.192 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.909 2.187 -9.600 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.719 1.613 -8.075 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.563 3.357 -8.142 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.823 2.387 -6.061 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.392 1.635 -5.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.085 3.830 -4.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 6.447 3.735 -5.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.056 4.558 -6.259 1.00 0.00 H new ATOM 1483 N LEU A 100 4.025 5.980 -10.206 1.00 0.00 N ATOM 1484 CA LEU A 100 5.213 6.535 -10.840 1.00 0.00 C ATOM 1485 C LEU A 100 6.092 7.208 -9.791 1.00 0.00 C ATOM 1486 O LEU A 100 5.614 8.027 -9.004 1.00 0.00 O ATOM 1487 CB LEU A 100 4.828 7.537 -11.932 1.00 0.00 C ATOM 1488 CG LEU A 100 4.164 8.824 -11.434 1.00 0.00 C ATOM 1489 CD1 LEU A 100 5.210 9.891 -11.148 1.00 0.00 C ATOM 1490 CD2 LEU A 100 3.155 9.328 -12.455 1.00 0.00 C ATOM 0 H LEU A 100 3.464 6.663 -9.697 1.00 0.00 H new ATOM 0 HA LEU A 100 5.771 5.723 -11.306 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.725 7.803 -12.491 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.151 7.045 -12.631 1.00 0.00 H new ATOM 0 HG LEU A 100 3.638 8.603 -10.505 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.718 10.797 -10.795 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.898 9.530 -10.383 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.765 10.111 -12.060 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.691 10.243 -12.087 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.662 9.532 -13.398 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.387 8.570 -12.613 1.00 0.00 H new ATOM 1502 N GLY A 101 7.370 6.846 -9.770 1.00 0.00 N ATOM 1503 CA GLY A 101 8.280 7.419 -8.796 1.00 0.00 C ATOM 1504 C GLY A 101 9.438 8.163 -9.429 1.00 0.00 C ATOM 1505 O GLY A 101 9.547 8.243 -10.652 1.00 0.00 O ATOM 0 H GLY A 101 7.791 6.169 -10.407 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.728 8.101 -8.149 1.00 0.00 H new ATOM 0 HA3 GLY A 101 8.671 6.624 -8.161 1.00 0.00 H new ATOM 1509 N TYR A 102 10.306 8.708 -8.583 1.00 0.00 N ATOM 1510 CA TYR A 102 11.472 9.455 -9.044 1.00 0.00 C ATOM 1511 C TYR A 102 12.464 9.668 -7.899 1.00 0.00 C ATOM 1512 O TYR A 102 12.098 10.183 -6.843 1.00 0.00 O ATOM 1513 CB TYR A 102 11.039 10.805 -9.624 1.00 0.00 C ATOM 1514 CG TYR A 102 11.597 11.080 -11.002 1.00 0.00 C ATOM 1515 CD1 TYR A 102 10.935 10.638 -12.140 1.00 0.00 C ATOM 1516 CD2 TYR A 102 12.785 11.782 -11.164 1.00 0.00 C ATOM 1517 CE1 TYR A 102 11.441 10.887 -13.402 1.00 0.00 C ATOM 1518 CE2 TYR A 102 13.297 12.035 -12.422 1.00 0.00 C ATOM 1519 CZ TYR A 102 12.622 11.586 -13.537 1.00 0.00 C ATOM 1520 OH TYR A 102 13.128 11.838 -14.791 1.00 0.00 O ATOM 0 H TYR A 102 10.223 8.646 -7.568 1.00 0.00 H new ATOM 0 HA TYR A 102 11.965 8.876 -9.825 1.00 0.00 H new ATOM 0 HB2 TYR A 102 9.950 10.839 -9.669 1.00 0.00 H new ATOM 0 HB3 TYR A 102 11.355 11.599 -8.948 1.00 0.00 H new ATOM 0 HD1 TYR A 102 10.010 10.091 -12.037 1.00 0.00 H new ATOM 0 HD2 TYR A 102 13.317 12.135 -10.293 1.00 0.00 H new ATOM 0 HE1 TYR A 102 10.914 10.536 -14.277 1.00 0.00 H new ATOM 0 HE2 TYR A 102 14.222 12.582 -12.531 1.00 0.00 H new ATOM 0 HH TYR A 102 13.965 12.342 -14.711 1.00 0.00 H new ATOM 1530 N PRO A 103 13.736 9.272 -8.089 1.00 0.00 N ATOM 1531 CA PRO A 103 14.772 9.422 -7.060 1.00 0.00 C ATOM 1532 C PRO A 103 15.267 10.861 -6.935 1.00 0.00 C ATOM 1533 O PRO A 103 15.047 11.683 -7.824 1.00 0.00 O ATOM 1534 CB PRO A 103 15.894 8.515 -7.562 1.00 0.00 C ATOM 1535 CG PRO A 103 15.744 8.523 -9.044 1.00 0.00 C ATOM 1536 CD PRO A 103 14.267 8.643 -9.314 1.00 0.00 C ATOM 0 HA PRO A 103 14.402 9.164 -6.068 1.00 0.00 H new ATOM 0 HB2 PRO A 103 16.872 8.889 -7.260 1.00 0.00 H new ATOM 0 HB3 PRO A 103 15.800 7.507 -7.159 1.00 0.00 H new ATOM 0 HG2 PRO A 103 16.290 9.356 -9.486 1.00 0.00 H new ATOM 0 HG3 PRO A 103 16.147 7.610 -9.481 1.00 0.00 H new ATOM 0 HD2 PRO A 103 14.070 9.253 -10.195 1.00 0.00 H new ATOM 0 HD3 PRO A 103 13.812 7.669 -9.493 1.00 0.00 H new ATOM 1601 N LEU A 108 16.571 9.088 -1.282 1.00 0.00 N ATOM 1602 CA LEU A 108 15.270 9.733 -1.153 1.00 0.00 C ATOM 1603 C LEU A 108 14.561 9.757 -2.503 1.00 0.00 C ATOM 1604 O LEU A 108 15.129 10.202 -3.500 1.00 0.00 O ATOM 1605 CB LEU A 108 15.415 11.163 -0.612 1.00 0.00 C ATOM 1606 CG LEU A 108 16.770 11.497 0.021 1.00 0.00 C ATOM 1607 CD1 LEU A 108 16.955 13.003 0.117 1.00 0.00 C ATOM 1608 CD2 LEU A 108 16.896 10.854 1.395 1.00 0.00 C ATOM 0 HA LEU A 108 14.675 9.158 -0.444 1.00 0.00 H new ATOM 0 HB2 LEU A 108 15.234 11.861 -1.429 1.00 0.00 H new ATOM 0 HB3 LEU A 108 14.636 11.332 0.131 1.00 0.00 H new ATOM 0 HG LEU A 108 17.555 11.092 -0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 108 17.922 13.223 0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 108 16.913 13.439 -0.881 1.00 0.00 H new ATOM 0 HD13 LEU A 108 16.162 13.428 0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 108 17.865 11.104 1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 108 16.103 11.225 2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.810 9.772 1.299 1.00 0.00 H new ATOM 1620 N ASP A 109 13.329 9.263 -2.539 1.00 0.00 N ATOM 1621 CA ASP A 109 12.572 9.225 -3.785 1.00 0.00 C ATOM 1622 C ASP A 109 11.115 9.618 -3.572 1.00 0.00 C ATOM 1623 O ASP A 109 10.611 9.607 -2.449 1.00 0.00 O ATOM 1624 CB ASP A 109 12.640 7.828 -4.405 1.00 0.00 C ATOM 1625 CG ASP A 109 14.032 7.226 -4.339 1.00 0.00 C ATOM 1626 OD1 ASP A 109 14.576 7.111 -3.221 1.00 0.00 O ATOM 1627 OD2 ASP A 109 14.575 6.869 -5.406 1.00 0.00 O ATOM 0 H ASP A 109 12.837 8.887 -1.729 1.00 0.00 H new ATOM 0 HA ASP A 109 13.024 9.949 -4.463 1.00 0.00 H new ATOM 0 HB2 ASP A 109 11.940 7.171 -3.889 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.320 7.881 -5.446 1.00 0.00 H new ATOM 1632 N ILE A 110 10.443 9.952 -4.669 1.00 0.00 N ATOM 1633 CA ILE A 110 9.039 10.337 -4.628 1.00 0.00 C ATOM 1634 C ILE A 110 8.188 9.314 -5.375 1.00 0.00 C ATOM 1635 O ILE A 110 8.696 8.588 -6.232 1.00 0.00 O ATOM 1636 CB ILE A 110 8.817 11.733 -5.248 1.00 0.00 C ATOM 1637 CG1 ILE A 110 9.222 11.734 -6.725 1.00 0.00 C ATOM 1638 CG2 ILE A 110 9.597 12.787 -4.475 1.00 0.00 C ATOM 1639 CD1 ILE A 110 8.186 12.360 -7.633 1.00 0.00 C ATOM 0 H ILE A 110 10.853 9.963 -5.603 1.00 0.00 H new ATOM 0 HA ILE A 110 8.740 10.372 -3.580 1.00 0.00 H new ATOM 0 HB ILE A 110 7.756 11.976 -5.185 1.00 0.00 H new ATOM 0 HG12 ILE A 110 10.163 12.272 -6.835 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.402 10.708 -7.045 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.430 13.766 -4.925 1.00 0.00 H new ATOM 0 HG22 ILE A 110 9.260 12.802 -3.438 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.660 12.549 -4.508 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.538 12.327 -8.664 1.00 0.00 H new ATOM 0 HD12 ILE A 110 7.250 11.808 -7.552 1.00 0.00 H new ATOM 0 HD13 ILE A 110 8.023 13.397 -7.338 1.00 0.00 H new ATOM 1651 N TYR A 111 6.901 9.248 -5.049 1.00 0.00 N ATOM 1652 CA TYR A 111 6.010 8.294 -5.701 1.00 0.00 C ATOM 1653 C TYR A 111 4.563 8.778 -5.696 1.00 0.00 C ATOM 1654 O TYR A 111 4.107 9.408 -4.742 1.00 0.00 O ATOM 1655 CB TYR A 111 6.098 6.933 -5.010 1.00 0.00 C ATOM 1656 CG TYR A 111 7.472 6.306 -5.071 1.00 0.00 C ATOM 1657 CD1 TYR A 111 7.840 5.494 -6.135 1.00 0.00 C ATOM 1658 CD2 TYR A 111 8.402 6.525 -4.061 1.00 0.00 C ATOM 1659 CE1 TYR A 111 9.093 4.917 -6.194 1.00 0.00 C ATOM 1660 CE2 TYR A 111 9.658 5.952 -4.113 1.00 0.00 C ATOM 1661 CZ TYR A 111 9.999 5.149 -5.180 1.00 0.00 C ATOM 1662 OH TYR A 111 11.248 4.575 -5.235 1.00 0.00 O ATOM 0 H TYR A 111 6.455 9.837 -4.345 1.00 0.00 H new ATOM 0 HA TYR A 111 6.332 8.201 -6.738 1.00 0.00 H new ATOM 0 HB2 TYR A 111 5.807 7.047 -3.966 1.00 0.00 H new ATOM 0 HB3 TYR A 111 5.379 6.255 -5.470 1.00 0.00 H new ATOM 0 HD1 TYR A 111 7.134 5.310 -6.931 1.00 0.00 H new ATOM 0 HD2 TYR A 111 8.138 7.153 -3.223 1.00 0.00 H new ATOM 0 HE1 TYR A 111 9.362 4.288 -7.029 1.00 0.00 H new ATOM 0 HE2 TYR A 111 10.370 6.133 -3.321 1.00 0.00 H new ATOM 0 HH TYR A 111 11.764 4.839 -4.445 1.00 0.00 H new ATOM 1672 N THR A 112 3.844 8.465 -6.771 1.00 0.00 N ATOM 1673 CA THR A 112 2.442 8.848 -6.901 1.00 0.00 C ATOM 1674 C THR A 112 1.655 7.737 -7.588 1.00 0.00 C ATOM 1675 O THR A 112 2.032 7.274 -8.664 1.00 0.00 O ATOM 1676 CB THR A 112 2.314 10.150 -7.694 1.00 0.00 C ATOM 1677 OG1 THR A 112 2.992 10.051 -8.934 1.00 0.00 O ATOM 1678 CG2 THR A 112 2.870 11.353 -6.964 1.00 0.00 C ATOM 0 H THR A 112 4.212 7.945 -7.568 1.00 0.00 H new ATOM 0 HA THR A 112 2.033 9.007 -5.903 1.00 0.00 H new ATOM 0 HB THR A 112 1.243 10.295 -7.839 1.00 0.00 H new ATOM 0 HG1 THR A 112 2.897 10.893 -9.427 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.747 12.242 -7.582 1.00 0.00 H new ATOM 0 HG22 THR A 112 2.335 11.488 -6.024 1.00 0.00 H new ATOM 0 HG23 THR A 112 3.929 11.197 -6.759 1.00 0.00 H new ATOM 1686 N ARG A 113 0.565 7.302 -6.960 1.00 0.00 N ATOM 1687 CA ARG A 113 -0.258 6.233 -7.516 1.00 0.00 C ATOM 1688 C ARG A 113 -1.677 6.707 -7.812 1.00 0.00 C ATOM 1689 O ARG A 113 -2.308 7.374 -6.990 1.00 0.00 O ATOM 1690 CB ARG A 113 -0.301 5.043 -6.554 1.00 0.00 C ATOM 1691 CG ARG A 113 -0.761 5.413 -5.151 1.00 0.00 C ATOM 1692 CD ARG A 113 -2.066 4.720 -4.789 1.00 0.00 C ATOM 1693 NE ARG A 113 -2.113 4.345 -3.379 1.00 0.00 N ATOM 1694 CZ ARG A 113 -3.235 4.059 -2.723 1.00 0.00 C ATOM 1695 NH1 ARG A 113 -4.406 4.100 -3.350 1.00 0.00 N ATOM 1696 NH2 ARG A 113 -3.188 3.729 -1.440 1.00 0.00 N ATOM 0 H ARG A 113 0.233 7.672 -6.069 1.00 0.00 H new ATOM 0 HA ARG A 113 0.198 5.926 -8.457 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -0.970 4.283 -6.958 1.00 0.00 H new ATOM 0 HB3 ARG A 113 0.692 4.596 -6.496 1.00 0.00 H new ATOM 0 HG2 ARG A 113 0.010 5.138 -4.431 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -0.891 6.493 -5.083 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -2.903 5.381 -5.017 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -2.187 3.829 -5.405 1.00 0.00 H new ATOM 0 HE ARG A 113 -1.233 4.299 -2.866 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -4.447 4.351 -4.338 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -5.264 3.880 -2.844 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -2.291 3.694 -0.955 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -4.048 3.510 -0.938 1.00 0.00 H new ATOM 1710 N LEU A 114 -2.174 6.341 -8.992 1.00 0.00 N ATOM 1711 CA LEU A 114 -3.523 6.708 -9.412 1.00 0.00 C ATOM 1712 C LEU A 114 -4.240 5.492 -9.993 1.00 0.00 C ATOM 1713 O LEU A 114 -3.757 4.869 -10.939 1.00 0.00 O ATOM 1714 CB LEU A 114 -3.470 7.835 -10.449 1.00 0.00 C ATOM 1715 CG LEU A 114 -4.818 8.211 -11.074 1.00 0.00 C ATOM 1716 CD1 LEU A 114 -4.871 9.701 -11.382 1.00 0.00 C ATOM 1717 CD2 LEU A 114 -5.062 7.398 -12.336 1.00 0.00 C ATOM 0 H LEU A 114 -1.659 5.788 -9.677 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.076 7.061 -8.542 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.047 8.722 -9.977 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.787 7.542 -11.246 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.605 7.982 -10.356 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -5.836 9.947 -11.825 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -4.740 10.268 -10.460 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -4.075 9.956 -12.082 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.023 7.676 -12.768 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.269 7.598 -13.056 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.069 6.336 -12.089 1.00 0.00 H new ATOM 1729 N GLY A 115 -5.391 5.151 -9.416 1.00 0.00 N ATOM 1730 CA GLY A 115 -6.146 4.004 -9.892 1.00 0.00 C ATOM 1731 C GLY A 115 -7.451 3.815 -9.145 1.00 0.00 C ATOM 1732 O GLY A 115 -8.203 4.773 -8.954 1.00 0.00 O ATOM 0 H GLY A 115 -5.812 5.647 -8.630 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -6.354 4.126 -10.955 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -5.538 3.105 -9.788 1.00 0.00 H new ATOM 1736 N GLY A 116 -7.731 2.584 -8.722 1.00 0.00 N ATOM 1737 CA GLY A 116 -8.962 2.320 -8.001 1.00 0.00 C ATOM 1738 C GLY A 116 -8.869 1.115 -7.089 1.00 0.00 C ATOM 1739 O GLY A 116 -7.943 0.310 -7.198 1.00 0.00 O ATOM 0 H GLY A 116 -7.131 1.771 -8.865 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -9.225 3.197 -7.409 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -9.769 2.165 -8.717 1.00 0.00 H new ATOM 1743 N MET A 117 -9.839 0.992 -6.188 1.00 0.00 N ATOM 1744 CA MET A 117 -9.878 -0.120 -5.248 1.00 0.00 C ATOM 1745 C MET A 117 -11.162 -0.923 -5.415 1.00 0.00 C ATOM 1746 O MET A 117 -12.236 -0.361 -5.638 1.00 0.00 O ATOM 1747 CB MET A 117 -9.765 0.393 -3.811 1.00 0.00 C ATOM 1748 CG MET A 117 -10.900 1.318 -3.403 1.00 0.00 C ATOM 1749 SD MET A 117 -11.397 1.094 -1.684 1.00 0.00 S ATOM 1750 CE MET A 117 -12.819 2.180 -1.596 1.00 0.00 C ATOM 0 H MET A 117 -10.610 1.652 -6.090 1.00 0.00 H new ATOM 0 HA MET A 117 -9.031 -0.773 -5.458 1.00 0.00 H new ATOM 0 HB2 MET A 117 -9.740 -0.459 -3.131 1.00 0.00 H new ATOM 0 HB3 MET A 117 -8.818 0.921 -3.696 1.00 0.00 H new ATOM 0 HG2 MET A 117 -10.593 2.353 -3.556 1.00 0.00 H new ATOM 0 HG3 MET A 117 -11.758 1.141 -4.051 1.00 0.00 H new ATOM 0 HE1 MET A 117 -13.152 2.261 -0.561 1.00 0.00 H new ATOM 0 HE2 MET A 117 -12.546 3.168 -1.967 1.00 0.00 H new ATOM 0 HE3 MET A 117 -13.626 1.773 -2.206 1.00 0.00 H new ATOM 1760 N VAL A 118 -11.044 -2.241 -5.306 1.00 0.00 N ATOM 1761 CA VAL A 118 -12.192 -3.130 -5.446 1.00 0.00 C ATOM 1762 C VAL A 118 -12.205 -4.180 -4.342 1.00 0.00 C ATOM 1763 O VAL A 118 -11.234 -4.915 -4.160 1.00 0.00 O ATOM 1764 CB VAL A 118 -12.199 -3.844 -6.814 1.00 0.00 C ATOM 1765 CG1 VAL A 118 -13.616 -4.236 -7.202 1.00 0.00 C ATOM 1766 CG2 VAL A 118 -11.569 -2.971 -7.892 1.00 0.00 C ATOM 0 H VAL A 118 -10.162 -2.719 -5.121 1.00 0.00 H new ATOM 0 HA VAL A 118 -13.082 -2.506 -5.370 1.00 0.00 H new ATOM 0 HB VAL A 118 -11.600 -4.750 -6.725 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -13.603 -4.738 -8.169 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -14.026 -4.909 -6.449 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -14.236 -3.342 -7.266 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -11.588 -3.500 -8.845 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -12.131 -2.041 -7.982 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -10.537 -2.747 -7.622 1.00 0.00 H new ATOM 1776 N TRP A 119 -13.310 -4.249 -3.606 1.00 0.00 N ATOM 1777 CA TRP A 119 -13.445 -5.213 -2.521 1.00 0.00 C ATOM 1778 C TRP A 119 -14.844 -5.822 -2.504 1.00 0.00 C ATOM 1779 O TRP A 119 -15.780 -5.268 -3.080 1.00 0.00 O ATOM 1780 CB TRP A 119 -13.152 -4.545 -1.176 1.00 0.00 C ATOM 1781 CG TRP A 119 -13.877 -3.248 -0.984 1.00 0.00 C ATOM 1782 CD1 TRP A 119 -13.415 -1.999 -1.282 1.00 0.00 C ATOM 1783 CD2 TRP A 119 -15.194 -3.072 -0.448 1.00 0.00 C ATOM 1784 NE1 TRP A 119 -14.362 -1.057 -0.965 1.00 0.00 N ATOM 1785 CE2 TRP A 119 -15.464 -1.691 -0.451 1.00 0.00 C ATOM 1786 CE3 TRP A 119 -16.171 -3.949 0.034 1.00 0.00 C ATOM 1787 CZ2 TRP A 119 -16.669 -1.167 0.009 1.00 0.00 C ATOM 1788 CZ3 TRP A 119 -17.367 -3.427 0.490 1.00 0.00 C ATOM 1789 CH2 TRP A 119 -17.608 -2.046 0.475 1.00 0.00 C ATOM 0 H TRP A 119 -14.124 -3.649 -3.742 1.00 0.00 H new ATOM 0 HA TRP A 119 -12.722 -6.012 -2.688 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -13.426 -5.228 -0.372 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -12.080 -4.369 -1.092 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -12.445 -1.783 -1.706 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -14.262 -0.050 -1.091 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -15.994 -5.014 0.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -16.856 -0.103 -0.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -18.129 -4.095 0.864 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -18.553 -1.669 0.838 1.00 0.00 H new ATOM 2091 N VAL A 141 -16.616 -0.761 -4.865 1.00 0.00 N ATOM 2092 CA VAL A 141 -15.629 -0.302 -5.836 1.00 0.00 C ATOM 2093 C VAL A 141 -15.558 1.222 -5.866 1.00 0.00 C ATOM 2094 O VAL A 141 -16.582 1.898 -5.965 1.00 0.00 O ATOM 2095 CB VAL A 141 -15.952 -0.823 -7.251 1.00 0.00 C ATOM 2096 CG1 VAL A 141 -17.313 -0.321 -7.709 1.00 0.00 C ATOM 2097 CG2 VAL A 141 -14.866 -0.413 -8.234 1.00 0.00 C ATOM 0 HA VAL A 141 -14.664 -0.700 -5.524 1.00 0.00 H new ATOM 0 HB VAL A 141 -15.985 -1.912 -7.216 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -17.523 -0.699 -8.710 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -18.081 -0.672 -7.020 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -17.312 0.769 -7.726 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -15.112 -0.790 -9.227 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -14.796 0.674 -8.266 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -13.910 -0.829 -7.915 1.00 0.00 H new ATOM 2107 N SER A 142 -14.344 1.760 -5.782 1.00 0.00 N ATOM 2108 CA SER A 142 -14.153 3.207 -5.800 1.00 0.00 C ATOM 2109 C SER A 142 -12.738 3.575 -6.250 1.00 0.00 C ATOM 2110 O SER A 142 -11.768 2.915 -5.877 1.00 0.00 O ATOM 2111 CB SER A 142 -14.426 3.795 -4.414 1.00 0.00 C ATOM 2112 OG SER A 142 -14.154 5.184 -4.387 1.00 0.00 O ATOM 0 H SER A 142 -13.483 1.219 -5.701 1.00 0.00 H new ATOM 0 HA SER A 142 -14.859 3.627 -6.516 1.00 0.00 H new ATOM 0 HB2 SER A 142 -15.466 3.620 -4.140 1.00 0.00 H new ATOM 0 HB3 SER A 142 -13.811 3.286 -3.672 1.00 0.00 H new ATOM 0 HG SER A 142 -14.338 5.536 -3.491 1.00 0.00 H new ATOM 2118 N PRO A 143 -12.602 4.643 -7.059 1.00 0.00 N ATOM 2119 CA PRO A 143 -11.303 5.101 -7.553 1.00 0.00 C ATOM 2120 C PRO A 143 -10.555 5.938 -6.521 1.00 0.00 C ATOM 2121 O PRO A 143 -11.171 6.643 -5.721 1.00 0.00 O ATOM 2122 CB PRO A 143 -11.682 5.956 -8.760 1.00 0.00 C ATOM 2123 CG PRO A 143 -13.013 6.526 -8.407 1.00 0.00 C ATOM 2124 CD PRO A 143 -13.707 5.493 -7.551 1.00 0.00 C ATOM 0 HA PRO A 143 -10.632 4.274 -7.786 1.00 0.00 H new ATOM 0 HB2 PRO A 143 -10.947 6.742 -8.937 1.00 0.00 H new ATOM 0 HB3 PRO A 143 -11.734 5.358 -9.670 1.00 0.00 H new ATOM 0 HG2 PRO A 143 -12.902 7.466 -7.867 1.00 0.00 H new ATOM 0 HG3 PRO A 143 -13.594 6.740 -9.304 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -14.252 5.956 -6.729 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -14.430 4.916 -8.128 1.00 0.00 H new ATOM 2132 N VAL A 144 -9.228 5.860 -6.540 1.00 0.00 N ATOM 2133 CA VAL A 144 -8.409 6.617 -5.598 1.00 0.00 C ATOM 2134 C VAL A 144 -7.001 6.843 -6.138 1.00 0.00 C ATOM 2135 O VAL A 144 -6.536 6.119 -7.019 1.00 0.00 O ATOM 2136 CB VAL A 144 -8.314 5.907 -4.233 1.00 0.00 C ATOM 2137 CG1 VAL A 144 -9.693 5.755 -3.612 1.00 0.00 C ATOM 2138 CG2 VAL A 144 -7.636 4.551 -4.380 1.00 0.00 C ATOM 0 H VAL A 144 -8.698 5.283 -7.194 1.00 0.00 H new ATOM 0 HA VAL A 144 -8.901 7.581 -5.466 1.00 0.00 H new ATOM 0 HB VAL A 144 -7.707 6.521 -3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -9.605 5.252 -2.649 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -10.137 6.740 -3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -10.327 5.164 -4.274 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -7.578 4.066 -3.406 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -8.214 3.928 -5.063 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -6.630 4.688 -4.777 1.00 0.00 H new ATOM 2148 N PHE A 145 -6.326 7.851 -5.595 1.00 0.00 N ATOM 2149 CA PHE A 145 -4.967 8.180 -6.009 1.00 0.00 C ATOM 2150 C PHE A 145 -4.181 8.770 -4.842 1.00 0.00 C ATOM 2151 O PHE A 145 -4.595 9.763 -4.243 1.00 0.00 O ATOM 2152 CB PHE A 145 -4.989 9.168 -7.178 1.00 0.00 C ATOM 2153 CG PHE A 145 -5.973 10.290 -6.994 1.00 0.00 C ATOM 2154 CD1 PHE A 145 -5.636 11.410 -6.251 1.00 0.00 C ATOM 2155 CD2 PHE A 145 -7.233 10.225 -7.566 1.00 0.00 C ATOM 2156 CE1 PHE A 145 -6.538 12.441 -6.079 1.00 0.00 C ATOM 2157 CE2 PHE A 145 -8.138 11.254 -7.399 1.00 0.00 C ATOM 2158 CZ PHE A 145 -7.791 12.364 -6.654 1.00 0.00 C ATOM 0 H PHE A 145 -6.700 8.456 -4.864 1.00 0.00 H new ATOM 0 HA PHE A 145 -4.476 7.262 -6.333 1.00 0.00 H new ATOM 0 HB2 PHE A 145 -3.991 9.587 -7.308 1.00 0.00 H new ATOM 0 HB3 PHE A 145 -5.231 8.630 -8.094 1.00 0.00 H new ATOM 0 HD1 PHE A 145 -4.656 11.477 -5.801 1.00 0.00 H new ATOM 0 HD2 PHE A 145 -7.510 9.359 -8.149 1.00 0.00 H new ATOM 0 HE1 PHE A 145 -6.264 13.307 -5.495 1.00 0.00 H new ATOM 0 HE2 PHE A 145 -9.117 11.191 -7.851 1.00 0.00 H new ATOM 0 HZ PHE A 145 -8.498 13.170 -6.522 1.00 0.00 H new ATOM 2168 N ALA A 146 -3.049 8.152 -4.518 1.00 0.00 N ATOM 2169 CA ALA A 146 -2.215 8.618 -3.418 1.00 0.00 C ATOM 2170 C ALA A 146 -0.886 9.171 -3.922 1.00 0.00 C ATOM 2171 O ALA A 146 -0.328 8.677 -4.900 1.00 0.00 O ATOM 2172 CB ALA A 146 -1.974 7.489 -2.427 1.00 0.00 C ATOM 0 H ALA A 146 -2.690 7.329 -5.001 1.00 0.00 H new ATOM 0 HA ALA A 146 -2.744 9.427 -2.915 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -1.350 7.849 -1.610 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -2.928 7.144 -2.030 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -1.471 6.664 -2.931 1.00 0.00 H new ATOM 2178 N GLY A 147 -0.386 10.198 -3.244 1.00 0.00 N ATOM 2179 CA GLY A 147 0.874 10.802 -3.634 1.00 0.00 C ATOM 2180 C GLY A 147 1.732 11.162 -2.439 1.00 0.00 C ATOM 2181 O GLY A 147 1.243 11.746 -1.471 1.00 0.00 O ATOM 0 H GLY A 147 -0.831 10.623 -2.431 1.00 0.00 H new ATOM 0 HA2 GLY A 147 1.421 10.113 -4.277 1.00 0.00 H new ATOM 0 HA3 GLY A 147 0.678 11.699 -4.222 1.00 0.00 H new ATOM 2185 N GLY A 148 3.014 10.815 -2.499 1.00 0.00 N ATOM 2186 CA GLY A 148 3.911 11.116 -1.401 1.00 0.00 C ATOM 2187 C GLY A 148 5.368 10.873 -1.742 1.00 0.00 C ATOM 2188 O GLY A 148 5.775 11.007 -2.897 1.00 0.00 O ATOM 0 H GLY A 148 3.446 10.332 -3.287 1.00 0.00 H new ATOM 0 HA2 GLY A 148 3.781 12.158 -1.108 1.00 0.00 H new ATOM 0 HA3 GLY A 148 3.639 10.506 -0.539 1.00 0.00 H new ATOM 2192 N VAL A 149 6.157 10.520 -0.731 1.00 0.00 N ATOM 2193 CA VAL A 149 7.579 10.264 -0.926 1.00 0.00 C ATOM 2194 C VAL A 149 8.021 8.998 -0.200 1.00 0.00 C ATOM 2195 O VAL A 149 7.278 8.444 0.612 1.00 0.00 O ATOM 2196 CB VAL A 149 8.433 11.452 -0.442 1.00 0.00 C ATOM 2197 CG1 VAL A 149 8.277 12.642 -1.379 1.00 0.00 C ATOM 2198 CG2 VAL A 149 8.062 11.833 0.985 1.00 0.00 C ATOM 0 H VAL A 149 5.835 10.405 0.230 1.00 0.00 H new ATOM 0 HA VAL A 149 7.731 10.129 -1.997 1.00 0.00 H new ATOM 0 HB VAL A 149 9.480 11.149 -0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 149 8.888 13.470 -1.020 1.00 0.00 H new ATOM 0 HG12 VAL A 149 8.600 12.361 -2.381 1.00 0.00 H new ATOM 0 HG13 VAL A 149 7.231 12.948 -1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 149 8.676 12.674 1.308 1.00 0.00 H new ATOM 0 HG22 VAL A 149 7.010 12.116 1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 149 8.234 10.983 1.645 1.00 0.00 H new ATOM 2208 N GLU A 150 9.236 8.546 -0.497 1.00 0.00 N ATOM 2209 CA GLU A 150 9.780 7.344 0.126 1.00 0.00 C ATOM 2210 C GLU A 150 11.192 7.592 0.644 1.00 0.00 C ATOM 2211 O GLU A 150 12.014 8.216 -0.033 1.00 0.00 O ATOM 2212 CB GLU A 150 9.788 6.186 -0.872 1.00 0.00 C ATOM 2213 CG GLU A 150 9.530 4.830 -0.234 1.00 0.00 C ATOM 2214 CD GLU A 150 9.463 3.710 -1.253 1.00 0.00 C ATOM 2215 OE1 GLU A 150 10.529 3.153 -1.594 1.00 0.00 O ATOM 2216 OE2 GLU A 150 8.347 3.390 -1.711 1.00 0.00 O ATOM 0 H GLU A 150 9.863 8.994 -1.165 1.00 0.00 H new ATOM 0 HA GLU A 150 9.142 7.083 0.971 1.00 0.00 H new ATOM 0 HB2 GLU A 150 9.031 6.369 -1.634 1.00 0.00 H new ATOM 0 HB3 GLU A 150 10.752 6.162 -1.380 1.00 0.00 H new ATOM 0 HG2 GLU A 150 10.320 4.615 0.486 1.00 0.00 H new ATOM 0 HG3 GLU A 150 8.593 4.867 0.322 1.00 0.00 H new ATOM 2223 N TRP A 151 11.466 7.104 1.850 1.00 0.00 N ATOM 2224 CA TRP A 151 12.779 7.273 2.464 1.00 0.00 C ATOM 2225 C TRP A 151 13.371 5.926 2.871 1.00 0.00 C ATOM 2226 O TRP A 151 12.704 5.110 3.504 1.00 0.00 O ATOM 2227 CB TRP A 151 12.675 8.187 3.688 1.00 0.00 C ATOM 2228 CG TRP A 151 13.992 8.752 4.123 1.00 0.00 C ATOM 2229 CD1 TRP A 151 15.041 8.064 4.659 1.00 0.00 C ATOM 2230 CD2 TRP A 151 14.400 10.122 4.061 1.00 0.00 C ATOM 2231 NE1 TRP A 151 16.077 8.921 4.934 1.00 0.00 N ATOM 2232 CE2 TRP A 151 15.708 10.191 4.576 1.00 0.00 C ATOM 2233 CE3 TRP A 151 13.788 11.299 3.619 1.00 0.00 C ATOM 2234 CZ2 TRP A 151 16.413 11.391 4.661 1.00 0.00 C ATOM 2235 CZ3 TRP A 151 14.488 12.487 3.704 1.00 0.00 C ATOM 2236 CH2 TRP A 151 15.788 12.526 4.220 1.00 0.00 C ATOM 0 H TRP A 151 10.797 6.588 2.421 1.00 0.00 H new ATOM 0 HA TRP A 151 13.440 7.731 1.728 1.00 0.00 H new ATOM 0 HB2 TRP A 151 11.993 9.007 3.463 1.00 0.00 H new ATOM 0 HB3 TRP A 151 12.238 7.627 4.514 1.00 0.00 H new ATOM 0 HD1 TRP A 151 15.054 6.999 4.841 1.00 0.00 H new ATOM 0 HE1 TRP A 151 16.975 8.656 5.339 1.00 0.00 H new ATOM 0 HE3 TRP A 151 12.785 11.280 3.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 151 17.416 11.424 5.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 151 14.024 13.402 3.366 1.00 0.00 H new ATOM 0 HH2 TRP A 151 16.309 13.471 4.271 1.00 0.00 H new ATOM 2247 N ALA A 152 14.628 5.703 2.501 1.00 0.00 N ATOM 2248 CA ALA A 152 15.313 4.457 2.826 1.00 0.00 C ATOM 2249 C ALA A 152 16.062 4.572 4.150 1.00 0.00 C ATOM 2250 O ALA A 152 16.714 5.581 4.420 1.00 0.00 O ATOM 2251 CB ALA A 152 16.269 4.074 1.707 1.00 0.00 C ATOM 0 H ALA A 152 15.193 6.370 1.975 1.00 0.00 H new ATOM 0 HA ALA A 152 14.562 3.674 2.931 1.00 0.00 H new ATOM 0 HB1 ALA A 152 16.774 3.142 1.963 1.00 0.00 H new ATOM 0 HB2 ALA A 152 15.710 3.942 0.780 1.00 0.00 H new ATOM 0 HB3 ALA A 152 17.009 4.863 1.575 1.00 0.00 H new ATOM 2257 N VAL A 153 15.969 3.532 4.974 1.00 0.00 N ATOM 2258 CA VAL A 153 16.641 3.523 6.267 1.00 0.00 C ATOM 2259 C VAL A 153 17.760 2.488 6.290 1.00 0.00 C ATOM 2260 O VAL A 153 18.880 2.777 6.712 1.00 0.00 O ATOM 2261 CB VAL A 153 15.652 3.229 7.412 1.00 0.00 C ATOM 2262 CG1 VAL A 153 16.365 3.223 8.758 1.00 0.00 C ATOM 2263 CG2 VAL A 153 14.519 4.247 7.410 1.00 0.00 C ATOM 0 H VAL A 153 15.436 2.687 4.769 1.00 0.00 H new ATOM 0 HA VAL A 153 17.065 4.516 6.416 1.00 0.00 H new ATOM 0 HB VAL A 153 15.228 2.238 7.250 1.00 0.00 H new ATOM 0 HG11 VAL A 153 15.646 3.013 9.550 1.00 0.00 H new ATOM 0 HG12 VAL A 153 17.138 2.454 8.757 1.00 0.00 H new ATOM 0 HG13 VAL A 153 16.822 4.197 8.932 1.00 0.00 H new ATOM 0 HG21 VAL A 153 13.829 4.025 8.224 1.00 0.00 H new ATOM 0 HG22 VAL A 153 14.929 5.248 7.544 1.00 0.00 H new ATOM 0 HG23 VAL A 153 13.987 4.197 6.460 1.00 0.00 H new ATOM 2323 N ILE A 157 15.350 -1.986 3.143 1.00 0.00 N ATOM 2324 CA ILE A 157 14.054 -1.607 3.691 1.00 0.00 C ATOM 2325 C ILE A 157 13.893 -0.091 3.714 1.00 0.00 C ATOM 2326 O ILE A 157 14.772 0.630 4.187 1.00 0.00 O ATOM 2327 CB ILE A 157 13.862 -2.159 5.118 1.00 0.00 C ATOM 2328 CG1 ILE A 157 14.115 -3.668 5.141 1.00 0.00 C ATOM 2329 CG2 ILE A 157 12.462 -1.845 5.627 1.00 0.00 C ATOM 2330 CD1 ILE A 157 14.767 -4.154 6.418 1.00 0.00 C ATOM 0 HA ILE A 157 13.294 -2.041 3.041 1.00 0.00 H new ATOM 0 HB ILE A 157 14.583 -1.676 5.777 1.00 0.00 H new ATOM 0 HG12 ILE A 157 13.167 -4.189 5.006 1.00 0.00 H new ATOM 0 HG13 ILE A 157 14.749 -3.935 4.295 1.00 0.00 H new ATOM 0 HG21 ILE A 157 12.344 -2.242 6.635 1.00 0.00 H new ATOM 0 HG22 ILE A 157 12.314 -0.765 5.642 1.00 0.00 H new ATOM 0 HG23 ILE A 157 11.724 -2.303 4.968 1.00 0.00 H new ATOM 0 HD11 ILE A 157 14.916 -5.232 6.363 1.00 0.00 H new ATOM 0 HD12 ILE A 157 15.731 -3.661 6.545 1.00 0.00 H new ATOM 0 HD13 ILE A 157 14.125 -3.919 7.267 1.00 0.00 H new ATOM 2342 N ALA A 158 12.765 0.386 3.198 1.00 0.00 N ATOM 2343 CA ALA A 158 12.492 1.818 3.160 1.00 0.00 C ATOM 2344 C ALA A 158 11.071 2.120 3.619 1.00 0.00 C ATOM 2345 O ALA A 158 10.204 1.246 3.613 1.00 0.00 O ATOM 2346 CB ALA A 158 12.722 2.359 1.757 1.00 0.00 C ATOM 0 H ALA A 158 12.027 -0.196 2.801 1.00 0.00 H new ATOM 0 HA ALA A 158 13.178 2.313 3.847 1.00 0.00 H new ATOM 0 HB1 ALA A 158 12.515 3.429 1.741 1.00 0.00 H new ATOM 0 HB2 ALA A 158 13.758 2.185 1.465 1.00 0.00 H new ATOM 0 HB3 ALA A 158 12.058 1.851 1.058 1.00 0.00 H new ATOM 2352 N THR A 159 10.838 3.368 4.014 1.00 0.00 N ATOM 2353 CA THR A 159 9.523 3.793 4.475 1.00 0.00 C ATOM 2354 C THR A 159 8.790 4.550 3.373 1.00 0.00 C ATOM 2355 O THR A 159 9.415 5.150 2.497 1.00 0.00 O ATOM 2356 CB THR A 159 9.652 4.675 5.717 1.00 0.00 C ATOM 2357 OG1 THR A 159 10.690 4.203 6.560 1.00 0.00 O ATOM 2358 CG2 THR A 159 8.385 4.739 6.541 1.00 0.00 C ATOM 0 H THR A 159 11.545 4.103 4.024 1.00 0.00 H new ATOM 0 HA THR A 159 8.947 2.904 4.733 1.00 0.00 H new ATOM 0 HB THR A 159 9.871 5.674 5.341 1.00 0.00 H new ATOM 0 HG1 THR A 159 10.759 4.781 7.349 1.00 0.00 H new ATOM 0 HG21 THR A 159 8.546 5.381 7.407 1.00 0.00 H new ATOM 0 HG22 THR A 159 7.576 5.145 5.934 1.00 0.00 H new ATOM 0 HG23 THR A 159 8.119 3.737 6.877 1.00 0.00 H new ATOM 2366 N ARG A 160 7.462 4.518 3.418 1.00 0.00 N ATOM 2367 CA ARG A 160 6.654 5.200 2.417 1.00 0.00 C ATOM 2368 C ARG A 160 5.547 6.026 3.067 1.00 0.00 C ATOM 2369 O ARG A 160 4.741 5.506 3.838 1.00 0.00 O ATOM 2370 CB ARG A 160 6.042 4.187 1.448 1.00 0.00 C ATOM 2371 CG ARG A 160 5.369 4.827 0.242 1.00 0.00 C ATOM 2372 CD ARG A 160 4.036 4.165 -0.075 1.00 0.00 C ATOM 2373 NE ARG A 160 4.090 3.391 -1.313 1.00 0.00 N ATOM 2374 CZ ARG A 160 4.605 2.165 -1.400 1.00 0.00 C ATOM 2375 NH1 ARG A 160 5.113 1.574 -0.326 1.00 0.00 N ATOM 2376 NH2 ARG A 160 4.610 1.531 -2.565 1.00 0.00 N ATOM 0 H ARG A 160 6.926 4.029 4.134 1.00 0.00 H new ATOM 0 HA ARG A 160 7.308 5.876 1.867 1.00 0.00 H new ATOM 0 HB2 ARG A 160 6.823 3.511 1.101 1.00 0.00 H new ATOM 0 HB3 ARG A 160 5.310 3.581 1.983 1.00 0.00 H new ATOM 0 HG2 ARG A 160 5.212 5.888 0.434 1.00 0.00 H new ATOM 0 HG3 ARG A 160 6.027 4.753 -0.624 1.00 0.00 H new ATOM 0 HD2 ARG A 160 3.751 3.511 0.749 1.00 0.00 H new ATOM 0 HD3 ARG A 160 3.263 4.929 -0.158 1.00 0.00 H new ATOM 0 HE ARG A 160 3.711 3.814 -2.160 1.00 0.00 H new ATOM 0 HH11 ARG A 160 5.111 2.058 0.572 1.00 0.00 H new ATOM 0 HH12 ARG A 160 5.506 0.635 -0.398 1.00 0.00 H new ATOM 0 HH21 ARG A 160 4.220 1.982 -3.393 1.00 0.00 H new ATOM 0 HH22 ARG A 160 5.004 0.593 -2.633 1.00 0.00 H new ATOM 2390 N LEU A 161 5.512 7.313 2.736 1.00 0.00 N ATOM 2391 CA LEU A 161 4.501 8.215 3.272 1.00 0.00 C ATOM 2392 C LEU A 161 3.744 8.888 2.135 1.00 0.00 C ATOM 2393 O LEU A 161 4.330 9.628 1.342 1.00 0.00 O ATOM 2394 CB LEU A 161 5.148 9.271 4.172 1.00 0.00 C ATOM 2395 CG LEU A 161 4.321 9.672 5.396 1.00 0.00 C ATOM 2396 CD1 LEU A 161 5.090 10.664 6.256 1.00 0.00 C ATOM 2397 CD2 LEU A 161 2.983 10.256 4.968 1.00 0.00 C ATOM 0 H LEU A 161 6.174 7.754 2.098 1.00 0.00 H new ATOM 0 HA LEU A 161 3.799 7.634 3.869 1.00 0.00 H new ATOM 0 HB2 LEU A 161 6.113 8.895 4.512 1.00 0.00 H new ATOM 0 HB3 LEU A 161 5.345 10.163 3.577 1.00 0.00 H new ATOM 0 HG LEU A 161 4.129 8.779 5.991 1.00 0.00 H new ATOM 0 HD11 LEU A 161 4.487 10.938 7.122 1.00 0.00 H new ATOM 0 HD12 LEU A 161 6.022 10.209 6.592 1.00 0.00 H new ATOM 0 HD13 LEU A 161 5.313 11.557 5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 161 2.409 10.535 5.851 1.00 0.00 H new ATOM 0 HD22 LEU A 161 3.152 11.138 4.351 1.00 0.00 H new ATOM 0 HD23 LEU A 161 2.428 9.513 4.395 1.00 0.00 H new ATOM 2409 N GLU A 162 2.444 8.619 2.047 1.00 0.00 N ATOM 2410 CA GLU A 162 1.622 9.193 0.988 1.00 0.00 C ATOM 2411 C GLU A 162 0.288 9.695 1.528 1.00 0.00 C ATOM 2412 O GLU A 162 -0.290 9.108 2.442 1.00 0.00 O ATOM 2413 CB GLU A 162 1.381 8.159 -0.113 1.00 0.00 C ATOM 2414 CG GLU A 162 2.652 7.715 -0.820 1.00 0.00 C ATOM 2415 CD GLU A 162 2.387 7.168 -2.208 1.00 0.00 C ATOM 2416 OE1 GLU A 162 1.232 6.775 -2.480 1.00 0.00 O ATOM 2417 OE2 GLU A 162 3.333 7.135 -3.023 1.00 0.00 O ATOM 0 H GLU A 162 1.940 8.011 2.693 1.00 0.00 H new ATOM 0 HA GLU A 162 2.162 10.044 0.573 1.00 0.00 H new ATOM 0 HB2 GLU A 162 0.892 7.286 0.320 1.00 0.00 H new ATOM 0 HB3 GLU A 162 0.693 8.577 -0.848 1.00 0.00 H new ATOM 0 HG2 GLU A 162 3.337 8.559 -0.891 1.00 0.00 H new ATOM 0 HG3 GLU A 162 3.148 6.951 -0.221 1.00 0.00 H new ATOM 2424 N TYR A 163 -0.195 10.787 0.945 1.00 0.00 N ATOM 2425 CA TYR A 163 -1.464 11.379 1.351 1.00 0.00 C ATOM 2426 C TYR A 163 -2.413 11.483 0.162 1.00 0.00 C ATOM 2427 O TYR A 163 -2.001 11.338 -0.989 1.00 0.00 O ATOM 2428 CB TYR A 163 -1.231 12.765 1.956 1.00 0.00 C ATOM 2429 CG TYR A 163 -0.508 13.716 1.030 1.00 0.00 C ATOM 2430 CD1 TYR A 163 -1.132 14.218 -0.107 1.00 0.00 C ATOM 2431 CD2 TYR A 163 0.798 14.110 1.289 1.00 0.00 C ATOM 2432 CE1 TYR A 163 -0.475 15.086 -0.957 1.00 0.00 C ATOM 2433 CE2 TYR A 163 1.462 14.979 0.442 1.00 0.00 C ATOM 2434 CZ TYR A 163 0.821 15.464 -0.677 1.00 0.00 C ATOM 2435 OH TYR A 163 1.478 16.327 -1.523 1.00 0.00 O ATOM 0 H TYR A 163 0.275 11.281 0.187 1.00 0.00 H new ATOM 0 HA TYR A 163 -1.918 10.734 2.103 1.00 0.00 H new ATOM 0 HB2 TYR A 163 -2.193 13.199 2.230 1.00 0.00 H new ATOM 0 HB3 TYR A 163 -0.656 12.659 2.876 1.00 0.00 H new ATOM 0 HD1 TYR A 163 -2.147 13.924 -0.329 1.00 0.00 H new ATOM 0 HD2 TYR A 163 1.303 13.732 2.165 1.00 0.00 H new ATOM 0 HE1 TYR A 163 -0.974 15.467 -1.836 1.00 0.00 H new ATOM 0 HE2 TYR A 163 2.478 15.276 0.657 1.00 0.00 H new ATOM 0 HH TYR A 163 2.382 16.494 -1.183 1.00 0.00 H new ATOM 2445 N GLN A 164 -3.687 11.733 0.448 1.00 0.00 N ATOM 2446 CA GLN A 164 -4.695 11.857 -0.598 1.00 0.00 C ATOM 2447 C GLN A 164 -4.982 13.322 -0.907 1.00 0.00 C ATOM 2448 O GLN A 164 -4.383 14.222 -0.318 1.00 0.00 O ATOM 2449 CB GLN A 164 -5.984 11.149 -0.181 1.00 0.00 C ATOM 2450 CG GLN A 164 -5.761 9.752 0.372 1.00 0.00 C ATOM 2451 CD GLN A 164 -5.358 8.759 -0.701 1.00 0.00 C ATOM 2452 OE1 GLN A 164 -4.375 8.963 -1.414 1.00 0.00 O ATOM 2453 NE2 GLN A 164 -6.116 7.675 -0.820 1.00 0.00 N ATOM 0 H GLN A 164 -4.045 11.854 1.395 1.00 0.00 H new ATOM 0 HA GLN A 164 -4.306 11.384 -1.500 1.00 0.00 H new ATOM 0 HB2 GLN A 164 -6.492 11.752 0.572 1.00 0.00 H new ATOM 0 HB3 GLN A 164 -6.649 11.088 -1.042 1.00 0.00 H new ATOM 0 HG2 GLN A 164 -4.987 9.788 1.138 1.00 0.00 H new ATOM 0 HG3 GLN A 164 -6.674 9.407 0.857 1.00 0.00 H new ATOM 0 HE21 GLN A 164 -6.922 7.546 -0.208 1.00 0.00 H new ATOM 0 HE22 GLN A 164 -5.892 6.971 -1.524 1.00 0.00 H new ATOM 2724 N LEU A 184 -3.688 11.103 5.380 1.00 0.00 N ATOM 2725 CA LEU A 184 -2.281 10.729 5.301 1.00 0.00 C ATOM 2726 C LEU A 184 -2.077 9.281 5.739 1.00 0.00 C ATOM 2727 O LEU A 184 -2.631 8.844 6.746 1.00 0.00 O ATOM 2728 CB LEU A 184 -1.434 11.659 6.171 1.00 0.00 C ATOM 2729 CG LEU A 184 -1.396 13.118 5.712 1.00 0.00 C ATOM 2730 CD1 LEU A 184 -2.617 13.870 6.220 1.00 0.00 C ATOM 2731 CD2 LEU A 184 -0.117 13.790 6.188 1.00 0.00 C ATOM 0 HA LEU A 184 -1.964 10.825 4.262 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -1.816 11.625 7.191 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -0.414 11.276 6.199 1.00 0.00 H new ATOM 0 HG LEU A 184 -1.411 13.138 4.622 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -2.572 14.906 5.884 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -3.521 13.401 5.831 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -2.634 13.843 7.310 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -0.105 14.827 5.854 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -0.073 13.759 7.277 1.00 0.00 H new ATOM 0 HD23 LEU A 184 0.745 13.266 5.775 1.00 0.00 H new ATOM 2743 N SER A 185 -1.278 8.545 4.973 1.00 0.00 N ATOM 2744 CA SER A 185 -1.001 7.146 5.283 1.00 0.00 C ATOM 2745 C SER A 185 0.501 6.880 5.297 1.00 0.00 C ATOM 2746 O SER A 185 1.245 7.416 4.472 1.00 0.00 O ATOM 2747 CB SER A 185 -1.685 6.230 4.268 1.00 0.00 C ATOM 2748 OG SER A 185 -2.036 4.989 4.856 1.00 0.00 O ATOM 0 H SER A 185 -0.812 8.893 4.135 1.00 0.00 H new ATOM 0 HA SER A 185 -1.399 6.934 6.276 1.00 0.00 H new ATOM 0 HB2 SER A 185 -2.579 6.717 3.878 1.00 0.00 H new ATOM 0 HB3 SER A 185 -1.020 6.060 3.421 1.00 0.00 H new ATOM 0 HG SER A 185 -2.473 4.422 4.187 1.00 0.00 H new ATOM 2754 N LEU A 186 0.941 6.045 6.234 1.00 0.00 N ATOM 2755 CA LEU A 186 2.357 5.706 6.350 1.00 0.00 C ATOM 2756 C LEU A 186 2.550 4.194 6.399 1.00 0.00 C ATOM 2757 O LEU A 186 1.714 3.468 6.939 1.00 0.00 O ATOM 2758 CB LEU A 186 2.979 6.357 7.596 1.00 0.00 C ATOM 2759 CG LEU A 186 1.992 7.031 8.555 1.00 0.00 C ATOM 2760 CD1 LEU A 186 1.230 5.989 9.357 1.00 0.00 C ATOM 2761 CD2 LEU A 186 2.724 7.992 9.482 1.00 0.00 C ATOM 0 H LEU A 186 0.340 5.592 6.922 1.00 0.00 H new ATOM 0 HA LEU A 186 2.864 6.095 5.467 1.00 0.00 H new ATOM 0 HB2 LEU A 186 3.528 5.593 8.147 1.00 0.00 H new ATOM 0 HB3 LEU A 186 3.706 7.101 7.270 1.00 0.00 H new ATOM 0 HG LEU A 186 1.273 7.601 7.966 1.00 0.00 H new ATOM 0 HD11 LEU A 186 0.534 6.487 10.032 1.00 0.00 H new ATOM 0 HD12 LEU A 186 0.676 5.341 8.678 1.00 0.00 H new ATOM 0 HD13 LEU A 186 1.933 5.391 9.937 1.00 0.00 H new ATOM 0 HD21 LEU A 186 2.009 8.462 10.157 1.00 0.00 H new ATOM 0 HD22 LEU A 186 3.465 7.443 10.064 1.00 0.00 H new ATOM 0 HD23 LEU A 186 3.223 8.759 8.890 1.00 0.00 H new ATOM 2773 N GLY A 187 3.656 3.725 5.832 1.00 0.00 N ATOM 2774 CA GLY A 187 3.939 2.302 5.819 1.00 0.00 C ATOM 2775 C GLY A 187 5.390 2.000 5.502 1.00 0.00 C ATOM 2776 O GLY A 187 6.199 2.914 5.341 1.00 0.00 O ATOM 0 H GLY A 187 4.363 4.306 5.381 1.00 0.00 H new ATOM 0 HA2 GLY A 187 3.687 1.876 6.790 1.00 0.00 H new ATOM 0 HA3 GLY A 187 3.301 1.815 5.082 1.00 0.00 H new ATOM 2780 N VAL A 188 5.718 0.716 5.405 1.00 0.00 N ATOM 2781 CA VAL A 188 7.085 0.301 5.096 1.00 0.00 C ATOM 2782 C VAL A 188 7.097 -0.737 3.980 1.00 0.00 C ATOM 2783 O VAL A 188 6.212 -1.589 3.904 1.00 0.00 O ATOM 2784 CB VAL A 188 7.811 -0.273 6.332 1.00 0.00 C ATOM 2785 CG1 VAL A 188 8.397 0.850 7.174 1.00 0.00 C ATOM 2786 CG2 VAL A 188 6.879 -1.138 7.164 1.00 0.00 C ATOM 0 H VAL A 188 5.061 -0.053 5.535 1.00 0.00 H new ATOM 0 HA VAL A 188 7.617 1.195 4.771 1.00 0.00 H new ATOM 0 HB VAL A 188 8.627 -0.905 5.981 1.00 0.00 H new ATOM 0 HG11 VAL A 188 8.905 0.428 8.041 1.00 0.00 H new ATOM 0 HG12 VAL A 188 9.110 1.418 6.577 1.00 0.00 H new ATOM 0 HG13 VAL A 188 7.596 1.510 7.508 1.00 0.00 H new ATOM 0 HG21 VAL A 188 7.418 -1.528 8.027 1.00 0.00 H new ATOM 0 HG22 VAL A 188 6.034 -0.539 7.504 1.00 0.00 H new ATOM 0 HG23 VAL A 188 6.515 -1.968 6.558 1.00 0.00 H new ATOM 2796 N SER A 189 8.096 -0.654 3.106 1.00 0.00 N ATOM 2797 CA SER A 189 8.203 -1.585 1.989 1.00 0.00 C ATOM 2798 C SER A 189 9.632 -2.086 1.802 1.00 0.00 C ATOM 2799 O SER A 189 10.590 -1.475 2.281 1.00 0.00 O ATOM 2800 CB SER A 189 7.711 -0.922 0.702 1.00 0.00 C ATOM 2801 OG SER A 189 7.960 -1.745 -0.423 1.00 0.00 O ATOM 0 H SER A 189 8.838 0.044 3.149 1.00 0.00 H new ATOM 0 HA SER A 189 7.576 -2.446 2.219 1.00 0.00 H new ATOM 0 HB2 SER A 189 6.643 -0.720 0.779 1.00 0.00 H new ATOM 0 HB3 SER A 189 8.209 0.039 0.571 1.00 0.00 H new ATOM 0 HG SER A 189 7.274 -1.585 -1.104 1.00 0.00 H new ATOM 2807 N TYR A 190 9.756 -3.203 1.092 1.00 0.00 N ATOM 2808 CA TYR A 190 11.053 -3.811 0.818 1.00 0.00 C ATOM 2809 C TYR A 190 11.245 -3.998 -0.684 1.00 0.00 C ATOM 2810 O TYR A 190 10.338 -4.452 -1.382 1.00 0.00 O ATOM 2811 CB TYR A 190 11.160 -5.160 1.533 1.00 0.00 C ATOM 2812 CG TYR A 190 12.550 -5.756 1.515 1.00 0.00 C ATOM 2813 CD1 TYR A 190 13.123 -6.200 0.330 1.00 0.00 C ATOM 2814 CD2 TYR A 190 13.287 -5.880 2.687 1.00 0.00 C ATOM 2815 CE1 TYR A 190 14.392 -6.750 0.313 1.00 0.00 C ATOM 2816 CE2 TYR A 190 14.556 -6.428 2.678 1.00 0.00 C ATOM 2817 CZ TYR A 190 15.102 -6.860 1.489 1.00 0.00 C ATOM 2818 OH TYR A 190 16.365 -7.407 1.477 1.00 0.00 O ATOM 0 H TYR A 190 8.966 -3.709 0.693 1.00 0.00 H new ATOM 0 HA TYR A 190 11.835 -3.149 1.189 1.00 0.00 H new ATOM 0 HB2 TYR A 190 10.842 -5.037 2.568 1.00 0.00 H new ATOM 0 HB3 TYR A 190 10.468 -5.862 1.068 1.00 0.00 H new ATOM 0 HD1 TYR A 190 12.569 -6.114 -0.593 1.00 0.00 H new ATOM 0 HD2 TYR A 190 12.861 -5.543 3.620 1.00 0.00 H new ATOM 0 HE1 TYR A 190 14.824 -7.091 -0.616 1.00 0.00 H new ATOM 0 HE2 TYR A 190 15.116 -6.517 3.597 1.00 0.00 H new ATOM 0 HH TYR A 190 16.729 -7.411 2.387 1.00 0.00 H new ATOM 2828 N ARG A 191 12.429 -3.644 -1.177 1.00 0.00 N ATOM 2829 CA ARG A 191 12.732 -3.773 -2.598 1.00 0.00 C ATOM 2830 C ARG A 191 13.354 -5.131 -2.906 1.00 0.00 C ATOM 2831 O ARG A 191 14.218 -5.609 -2.174 1.00 0.00 O ATOM 2832 CB ARG A 191 13.674 -2.653 -3.044 1.00 0.00 C ATOM 2833 CG ARG A 191 14.989 -2.622 -2.282 1.00 0.00 C ATOM 2834 CD ARG A 191 16.127 -2.130 -3.158 1.00 0.00 C ATOM 2835 NE ARG A 191 17.210 -1.541 -2.372 1.00 0.00 N ATOM 2836 CZ ARG A 191 18.298 -0.990 -2.904 1.00 0.00 C ATOM 2837 NH1 ARG A 191 18.452 -0.947 -4.220 1.00 0.00 N ATOM 2838 NH2 ARG A 191 19.233 -0.478 -2.116 1.00 0.00 N ATOM 0 H ARG A 191 13.192 -3.267 -0.615 1.00 0.00 H new ATOM 0 HA ARG A 191 11.795 -3.693 -3.150 1.00 0.00 H new ATOM 0 HB2 ARG A 191 13.883 -2.768 -4.108 1.00 0.00 H new ATOM 0 HB3 ARG A 191 13.170 -1.695 -2.920 1.00 0.00 H new ATOM 0 HG2 ARG A 191 14.891 -1.973 -1.412 1.00 0.00 H new ATOM 0 HG3 ARG A 191 15.219 -3.621 -1.911 1.00 0.00 H new ATOM 0 HD2 ARG A 191 16.517 -2.961 -3.746 1.00 0.00 H new ATOM 0 HD3 ARG A 191 15.748 -1.391 -3.863 1.00 0.00 H new ATOM 0 HE ARG A 191 17.127 -1.553 -1.355 1.00 0.00 H new ATOM 0 HH11 ARG A 191 17.734 -1.338 -4.830 1.00 0.00 H new ATOM 0 HH12 ARG A 191 19.288 -0.523 -4.622 1.00 0.00 H new ATOM 0 HH21 ARG A 191 19.118 -0.507 -1.103 1.00 0.00 H new ATOM 0 HH22 ARG A 191 20.067 -0.055 -2.523 1.00 0.00 H new