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 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 72 TYR OH : rot 117:sc= 0.709 USER MOD Set 2.1: A 18 THR OG1 : rot -29:sc= 0.318 USER MOD Set 2.2: A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 159:sc= -0.179 (180deg=-0.605!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 GLN : amide:sc= -1.37 K(o=-1.4,f=-4.1!) USER MOD Single : A 95 GLN : amide:sc= -2.36 K(o=-2.4,f=-4.1!) USER MOD Single : A 97 THR OG1 : rot -109:sc= -0.875 USER MOD Single : A 99 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00738) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 150:sc= -0.309 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 MET CE :methyl 155:sc= -0.0891 (180deg=-0.52) USER MOD Single : A 142 SER OG : rot 35:sc= 0.127 USER MOD Single : A 159 THR OG1 : rot 180:sc= 0 USER MOD Single : A 163 TYR OH : rot 180:sc= -1.38 USER MOD Single : A 164 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 185 SER OG : rot 180:sc= 0 USER MOD Single : A 189 SER OG : rot 180:sc= -0.138 USER MOD Single : A 190 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 275 N THR A 18 12.493 -4.290 -11.276 1.00 0.00 N ATOM 276 CA THR A 18 12.457 -4.115 -9.828 1.00 0.00 C ATOM 277 C THR A 18 11.021 -4.145 -9.315 1.00 0.00 C ATOM 278 O THR A 18 10.079 -3.867 -10.057 1.00 0.00 O ATOM 279 CB THR A 18 13.124 -2.797 -9.437 1.00 0.00 C ATOM 280 OG1 THR A 18 12.683 -1.743 -10.274 1.00 0.00 O ATOM 281 CG2 THR A 18 14.635 -2.845 -9.515 1.00 0.00 C ATOM 0 HA THR A 18 13.005 -4.939 -9.372 1.00 0.00 H new ATOM 0 HB THR A 18 12.835 -2.624 -8.400 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.439 -2.103 -11.152 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.045 -1.878 -9.225 1.00 0.00 H new ATOM 0 HG22 THR A 18 15.010 -3.615 -8.841 1.00 0.00 H new ATOM 0 HG23 THR A 18 14.939 -3.077 -10.536 1.00 0.00 H new ATOM 289 N TRP A 19 10.860 -4.485 -8.041 1.00 0.00 N ATOM 290 CA TRP A 19 9.537 -4.553 -7.429 1.00 0.00 C ATOM 291 C TRP A 19 9.605 -4.220 -5.944 1.00 0.00 C ATOM 292 O TRP A 19 10.448 -4.745 -5.217 1.00 0.00 O ATOM 293 CB TRP A 19 8.935 -5.944 -7.625 1.00 0.00 C ATOM 294 CG TRP A 19 9.776 -7.042 -7.052 1.00 0.00 C ATOM 295 CD1 TRP A 19 10.741 -7.759 -7.698 1.00 0.00 C ATOM 296 CD2 TRP A 19 9.727 -7.550 -5.714 1.00 0.00 C ATOM 297 NE1 TRP A 19 11.297 -8.681 -6.844 1.00 0.00 N ATOM 298 CE2 TRP A 19 10.691 -8.573 -5.620 1.00 0.00 C ATOM 299 CE3 TRP A 19 8.963 -7.238 -4.584 1.00 0.00 C ATOM 300 CZ2 TRP A 19 10.909 -9.285 -4.443 1.00 0.00 C ATOM 301 CZ3 TRP A 19 9.181 -7.947 -3.417 1.00 0.00 C ATOM 302 CH2 TRP A 19 10.146 -8.958 -3.354 1.00 0.00 C ATOM 0 H TRP A 19 11.628 -4.718 -7.412 1.00 0.00 H new ATOM 0 HA TRP A 19 8.900 -3.816 -7.917 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.948 -5.973 -7.163 1.00 0.00 H new ATOM 0 HB3 TRP A 19 8.793 -6.124 -8.691 1.00 0.00 H new ATOM 0 HD1 TRP A 19 11.026 -7.622 -8.731 1.00 0.00 H new ATOM 0 HE1 TRP A 19 12.040 -9.338 -7.082 1.00 0.00 H new ATOM 0 HE3 TRP A 19 8.217 -6.458 -4.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 11.653 -10.066 -4.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 8.596 -7.716 -2.539 1.00 0.00 H new ATOM 0 HH2 TRP A 19 10.292 -9.492 -2.427 1.00 0.00 H new ATOM 313 N TYR A 20 8.708 -3.346 -5.497 1.00 0.00 N ATOM 314 CA TYR A 20 8.661 -2.944 -4.096 1.00 0.00 C ATOM 315 C TYR A 20 7.366 -3.414 -3.444 1.00 0.00 C ATOM 316 O TYR A 20 6.303 -3.380 -4.063 1.00 0.00 O ATOM 317 CB TYR A 20 8.783 -1.422 -3.974 1.00 0.00 C ATOM 318 CG TYR A 20 9.813 -0.816 -4.900 1.00 0.00 C ATOM 319 CD1 TYR A 20 9.591 -0.753 -6.270 1.00 0.00 C ATOM 320 CD2 TYR A 20 11.007 -0.306 -4.405 1.00 0.00 C ATOM 321 CE1 TYR A 20 10.531 -0.199 -7.120 1.00 0.00 C ATOM 322 CE2 TYR A 20 11.951 0.248 -5.248 1.00 0.00 C ATOM 323 CZ TYR A 20 11.708 0.300 -6.604 1.00 0.00 C ATOM 324 OH TYR A 20 12.646 0.851 -7.447 1.00 0.00 O ATOM 0 H TYR A 20 8.003 -2.902 -6.086 1.00 0.00 H new ATOM 0 HA TYR A 20 9.501 -3.410 -3.580 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.812 -0.971 -4.181 1.00 0.00 H new ATOM 0 HB3 TYR A 20 9.039 -1.169 -2.945 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.670 -1.143 -6.678 1.00 0.00 H new ATOM 0 HD2 TYR A 20 11.200 -0.343 -3.343 1.00 0.00 H new ATOM 0 HE1 TYR A 20 10.344 -0.158 -8.183 1.00 0.00 H new ATOM 0 HE2 TYR A 20 12.875 0.638 -4.847 1.00 0.00 H new ATOM 0 HH TYR A 20 13.417 1.156 -6.924 1.00 0.00 H new ATOM 334 N ALA A 21 7.460 -3.856 -2.193 1.00 0.00 N ATOM 335 CA ALA A 21 6.291 -4.334 -1.464 1.00 0.00 C ATOM 336 C ALA A 21 6.386 -3.993 0.018 1.00 0.00 C ATOM 337 O ALA A 21 7.462 -4.055 0.613 1.00 0.00 O ATOM 338 CB ALA A 21 6.133 -5.836 -1.651 1.00 0.00 C ATOM 0 H ALA A 21 8.332 -3.893 -1.665 1.00 0.00 H new ATOM 0 HA ALA A 21 5.413 -3.831 -1.868 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.257 -6.181 -1.102 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.008 -6.060 -2.711 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.020 -6.345 -1.275 1.00 0.00 H new ATOM 344 N GLY A 22 5.252 -3.627 0.613 1.00 0.00 N ATOM 345 CA GLY A 22 5.236 -3.281 2.024 1.00 0.00 C ATOM 346 C GLY A 22 3.834 -3.098 2.570 1.00 0.00 C ATOM 347 O GLY A 22 2.855 -3.473 1.926 1.00 0.00 O ATOM 0 H GLY A 22 4.348 -3.564 0.145 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.742 -4.063 2.590 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.802 -2.362 2.174 1.00 0.00 H new ATOM 351 N GLY A 23 3.741 -2.517 3.762 1.00 0.00 N ATOM 352 CA GLY A 23 2.450 -2.289 4.381 1.00 0.00 C ATOM 353 C GLY A 23 2.323 -0.893 4.959 1.00 0.00 C ATOM 354 O GLY A 23 3.285 -0.354 5.516 1.00 0.00 O ATOM 0 H GLY A 23 4.540 -2.200 4.311 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.664 -2.446 3.643 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.295 -3.022 5.173 1.00 0.00 H new ATOM 358 N LYS A 24 1.135 -0.304 4.824 1.00 0.00 N ATOM 359 CA LYS A 24 0.889 1.039 5.335 1.00 0.00 C ATOM 360 C LYS A 24 -0.365 1.084 6.201 1.00 0.00 C ATOM 361 O LYS A 24 -1.311 0.324 5.990 1.00 0.00 O ATOM 362 CB LYS A 24 0.759 2.030 4.177 1.00 0.00 C ATOM 363 CG LYS A 24 -0.444 1.768 3.284 1.00 0.00 C ATOM 364 CD LYS A 24 -1.058 3.062 2.779 1.00 0.00 C ATOM 365 CE LYS A 24 -0.068 3.859 1.944 1.00 0.00 C ATOM 366 NZ LYS A 24 -0.750 4.690 0.912 1.00 0.00 N ATOM 0 H LYS A 24 0.332 -0.736 4.366 1.00 0.00 H new ATOM 0 HA LYS A 24 1.740 1.320 5.956 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.688 3.040 4.580 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.665 1.991 3.573 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.142 1.153 2.436 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.192 1.201 3.838 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.942 2.838 2.182 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.389 3.664 3.625 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.521 4.503 2.597 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.628 3.176 1.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.119 5.461 0.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.986 4.098 0.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.622 5.092 1.311 1.00 0.00 H new ATOM 380 N LEU A 25 -0.360 1.988 7.176 1.00 0.00 N ATOM 381 CA LEU A 25 -1.490 2.153 8.083 1.00 0.00 C ATOM 382 C LEU A 25 -1.950 3.608 8.105 1.00 0.00 C ATOM 383 O LEU A 25 -1.152 4.528 7.902 1.00 0.00 O ATOM 384 CB LEU A 25 -1.109 1.699 9.498 1.00 0.00 C ATOM 385 CG LEU A 25 -2.150 1.997 10.583 1.00 0.00 C ATOM 386 CD1 LEU A 25 -3.472 1.314 10.266 1.00 0.00 C ATOM 387 CD2 LEU A 25 -1.635 1.561 11.949 1.00 0.00 C ATOM 0 H LEU A 25 0.419 2.621 7.358 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.312 1.533 7.725 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.924 0.625 9.480 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.171 2.179 9.776 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.322 3.073 10.606 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.195 1.540 11.050 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.849 1.676 9.309 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.321 0.236 10.212 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.386 1.780 12.708 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.433 0.490 11.937 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.717 2.101 12.181 1.00 0.00 H new ATOM 399 N GLY A 26 -3.243 3.808 8.348 1.00 0.00 N ATOM 400 CA GLY A 26 -3.792 5.150 8.392 1.00 0.00 C ATOM 401 C GLY A 26 -5.238 5.167 8.853 1.00 0.00 C ATOM 402 O GLY A 26 -5.710 4.213 9.470 1.00 0.00 O ATOM 0 H GLY A 26 -3.920 3.063 8.515 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.192 5.764 9.064 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.723 5.601 7.402 1.00 0.00 H new ATOM 799 N GLY A 53 -7.353 1.785 9.818 1.00 0.00 N ATOM 800 CA GLY A 53 -7.300 0.792 8.759 1.00 0.00 C ATOM 801 C GLY A 53 -5.899 0.601 8.216 1.00 0.00 C ATOM 802 O GLY A 53 -5.130 1.558 8.113 1.00 0.00 O ATOM 0 HA2 GLY A 53 -7.673 -0.160 9.138 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.963 1.094 7.948 1.00 0.00 H new ATOM 806 N ALA A 54 -5.564 -0.637 7.864 1.00 0.00 N ATOM 807 CA ALA A 54 -4.245 -0.946 7.328 1.00 0.00 C ATOM 808 C ALA A 54 -4.348 -1.489 5.907 1.00 0.00 C ATOM 809 O ALA A 54 -5.440 -1.788 5.427 1.00 0.00 O ATOM 810 CB ALA A 54 -3.531 -1.947 8.225 1.00 0.00 C ATOM 0 H ALA A 54 -6.188 -1.440 7.941 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.665 -0.023 7.299 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.547 -2.168 7.812 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.419 -1.525 9.224 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.115 -2.865 8.283 1.00 0.00 H new ATOM 816 N GLY A 55 -3.206 -1.613 5.241 1.00 0.00 N ATOM 817 CA GLY A 55 -3.201 -2.121 3.884 1.00 0.00 C ATOM 818 C GLY A 55 -1.804 -2.383 3.361 1.00 0.00 C ATOM 819 O GLY A 55 -0.830 -1.809 3.850 1.00 0.00 O ATOM 0 H GLY A 55 -2.288 -1.372 5.615 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.778 -3.045 3.845 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.700 -1.405 3.231 1.00 0.00 H new ATOM 823 N ALA A 56 -1.707 -3.253 2.361 1.00 0.00 N ATOM 824 CA ALA A 56 -0.422 -3.593 1.765 1.00 0.00 C ATOM 825 C ALA A 56 -0.301 -3.006 0.363 1.00 0.00 C ATOM 826 O ALA A 56 -1.266 -2.997 -0.401 1.00 0.00 O ATOM 827 CB ALA A 56 -0.240 -5.102 1.726 1.00 0.00 C ATOM 0 H ALA A 56 -2.504 -3.735 1.947 1.00 0.00 H new ATOM 0 HA ALA A 56 0.366 -3.162 2.383 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.725 -5.341 1.278 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.277 -5.499 2.740 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.037 -5.549 1.132 1.00 0.00 H new ATOM 833 N PHE A 57 0.889 -2.514 0.032 1.00 0.00 N ATOM 834 CA PHE A 57 1.129 -1.924 -1.280 1.00 0.00 C ATOM 835 C PHE A 57 2.332 -2.569 -1.958 1.00 0.00 C ATOM 836 O PHE A 57 3.411 -2.668 -1.372 1.00 0.00 O ATOM 837 CB PHE A 57 1.347 -0.415 -1.152 1.00 0.00 C ATOM 838 CG PHE A 57 0.096 0.389 -1.364 1.00 0.00 C ATOM 839 CD1 PHE A 57 -0.650 0.239 -2.522 1.00 0.00 C ATOM 840 CD2 PHE A 57 -0.332 1.297 -0.408 1.00 0.00 C ATOM 841 CE1 PHE A 57 -1.802 0.977 -2.721 1.00 0.00 C ATOM 842 CE2 PHE A 57 -1.483 2.037 -0.602 1.00 0.00 C ATOM 843 CZ PHE A 57 -2.219 1.878 -1.760 1.00 0.00 C ATOM 0 H PHE A 57 1.699 -2.512 0.652 1.00 0.00 H new ATOM 0 HA PHE A 57 0.249 -2.106 -1.897 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.747 -0.196 -0.162 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.099 -0.101 -1.876 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.328 -0.462 -3.278 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.240 1.428 0.499 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.376 0.849 -3.627 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.807 2.739 0.152 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.118 2.456 -1.914 1.00 0.00 H new ATOM 853 N GLY A 58 2.138 -3.005 -3.197 1.00 0.00 N ATOM 854 CA GLY A 58 3.212 -3.633 -3.943 1.00 0.00 C ATOM 855 C GLY A 58 3.143 -3.318 -5.423 1.00 0.00 C ATOM 856 O GLY A 58 2.119 -3.548 -6.067 1.00 0.00 O ATOM 0 H GLY A 58 1.253 -2.934 -3.700 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.171 -3.299 -3.547 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.167 -4.713 -3.801 1.00 0.00 H new ATOM 860 N GLY A 59 4.233 -2.785 -5.968 1.00 0.00 N ATOM 861 CA GLY A 59 4.263 -2.444 -7.379 1.00 0.00 C ATOM 862 C GLY A 59 5.570 -2.820 -8.045 1.00 0.00 C ATOM 863 O GLY A 59 6.522 -3.225 -7.381 1.00 0.00 O ATOM 0 H GLY A 59 5.094 -2.584 -5.459 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.442 -2.950 -7.888 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.097 -1.373 -7.493 1.00 0.00 H new ATOM 867 N TYR A 60 5.612 -2.685 -9.368 1.00 0.00 N ATOM 868 CA TYR A 60 6.810 -3.011 -10.133 1.00 0.00 C ATOM 869 C TYR A 60 7.037 -1.991 -11.244 1.00 0.00 C ATOM 870 O TYR A 60 6.117 -1.275 -11.641 1.00 0.00 O ATOM 871 CB TYR A 60 6.691 -4.415 -10.730 1.00 0.00 C ATOM 872 CG TYR A 60 5.406 -4.643 -11.492 1.00 0.00 C ATOM 873 CD1 TYR A 60 5.249 -4.166 -12.788 1.00 0.00 C ATOM 874 CD2 TYR A 60 4.345 -5.331 -10.913 1.00 0.00 C ATOM 875 CE1 TYR A 60 4.074 -4.372 -13.486 1.00 0.00 C ATOM 876 CE2 TYR A 60 3.169 -5.540 -11.606 1.00 0.00 C ATOM 877 CZ TYR A 60 3.039 -5.059 -12.892 1.00 0.00 C ATOM 878 OH TYR A 60 1.868 -5.265 -13.584 1.00 0.00 O ATOM 0 H TYR A 60 4.830 -2.352 -9.932 1.00 0.00 H new ATOM 0 HA TYR A 60 7.664 -2.982 -9.457 1.00 0.00 H new ATOM 0 HB2 TYR A 60 7.535 -4.589 -11.397 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.762 -5.149 -9.927 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.058 -3.626 -13.257 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.442 -5.708 -9.906 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.968 -3.996 -14.493 1.00 0.00 H new ATOM 0 HE2 TYR A 60 2.355 -6.078 -11.143 1.00 0.00 H new ATOM 0 HH TYR A 60 1.240 -5.767 -13.023 1.00 0.00 H new ATOM 888 N GLN A 61 8.270 -1.932 -11.743 1.00 0.00 N ATOM 889 CA GLN A 61 8.616 -0.998 -12.809 1.00 0.00 C ATOM 890 C GLN A 61 8.958 -1.743 -14.096 1.00 0.00 C ATOM 891 O GLN A 61 9.758 -2.678 -14.088 1.00 0.00 O ATOM 892 CB GLN A 61 9.797 -0.124 -12.384 1.00 0.00 C ATOM 893 CG GLN A 61 9.680 1.321 -12.842 1.00 0.00 C ATOM 894 CD GLN A 61 10.924 2.132 -12.535 1.00 0.00 C ATOM 895 OE1 GLN A 61 11.583 2.644 -13.439 1.00 0.00 O ATOM 896 NE2 GLN A 61 11.251 2.251 -11.254 1.00 0.00 N ATOM 0 H GLN A 61 9.043 -2.518 -11.427 1.00 0.00 H new ATOM 0 HA GLN A 61 7.750 -0.363 -12.997 1.00 0.00 H new ATOM 0 HB2 GLN A 61 9.882 -0.146 -11.298 1.00 0.00 H new ATOM 0 HB3 GLN A 61 10.717 -0.550 -12.785 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.491 1.344 -13.915 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.820 1.784 -12.357 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.675 1.809 -10.537 1.00 0.00 H new ATOM 0 HE22 GLN A 61 12.078 2.784 -10.986 1.00 0.00 H new ATOM 970 N LEU A 66 6.590 4.656 -16.381 1.00 0.00 N ATOM 971 CA LEU A 66 5.274 4.111 -16.070 1.00 0.00 C ATOM 972 C LEU A 66 5.396 2.851 -15.218 1.00 0.00 C ATOM 973 O LEU A 66 5.940 1.841 -15.665 1.00 0.00 O ATOM 974 CB LEU A 66 4.518 3.798 -17.365 1.00 0.00 C ATOM 975 CG LEU A 66 3.063 4.274 -17.408 1.00 0.00 C ATOM 976 CD1 LEU A 66 2.249 3.607 -16.311 1.00 0.00 C ATOM 977 CD2 LEU A 66 2.992 5.789 -17.283 1.00 0.00 C ATOM 0 HA LEU A 66 4.718 4.857 -15.501 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.055 4.251 -18.198 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.535 2.720 -17.524 1.00 0.00 H new ATOM 0 HG LEU A 66 2.637 3.989 -18.370 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.218 3.958 -16.358 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.271 2.526 -16.448 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.674 3.858 -15.339 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.950 6.108 -17.316 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.437 6.097 -16.337 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.538 6.248 -18.107 1.00 0.00 H new ATOM 989 N GLY A 67 4.890 2.917 -13.990 1.00 0.00 N ATOM 990 CA GLY A 67 4.958 1.772 -13.100 1.00 0.00 C ATOM 991 C GLY A 67 3.590 1.309 -12.642 1.00 0.00 C ATOM 992 O GLY A 67 2.613 2.055 -12.730 1.00 0.00 O ATOM 0 H GLY A 67 4.435 3.741 -13.596 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.464 0.951 -13.608 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.561 2.029 -12.229 1.00 0.00 H new ATOM 996 N PHE A 68 3.518 0.076 -12.152 1.00 0.00 N ATOM 997 CA PHE A 68 2.258 -0.486 -11.674 1.00 0.00 C ATOM 998 C PHE A 68 2.313 -0.730 -10.170 1.00 0.00 C ATOM 999 O PHE A 68 3.295 -1.262 -9.654 1.00 0.00 O ATOM 1000 CB PHE A 68 1.946 -1.792 -12.410 1.00 0.00 C ATOM 1001 CG PHE A 68 0.761 -1.695 -13.328 1.00 0.00 C ATOM 1002 CD1 PHE A 68 0.873 -1.069 -14.560 1.00 0.00 C ATOM 1003 CD2 PHE A 68 -0.462 -2.227 -12.960 1.00 0.00 C ATOM 1004 CE1 PHE A 68 -0.215 -0.979 -15.407 1.00 0.00 C ATOM 1005 CE2 PHE A 68 -1.555 -2.139 -13.802 1.00 0.00 C ATOM 1006 CZ PHE A 68 -1.431 -1.514 -15.028 1.00 0.00 C ATOM 0 H PHE A 68 4.317 -0.554 -12.075 1.00 0.00 H new ATOM 0 HA PHE A 68 1.463 0.232 -11.878 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.820 -2.091 -12.988 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.764 -2.578 -11.677 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.821 -0.647 -14.861 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.564 -2.717 -12.003 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.115 -0.491 -16.365 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.504 -2.558 -13.502 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.283 -1.444 -15.688 1.00 0.00 H new ATOM 1016 N GLU A 69 1.253 -0.337 -9.469 1.00 0.00 N ATOM 1017 CA GLU A 69 1.190 -0.516 -8.024 1.00 0.00 C ATOM 1018 C GLU A 69 -0.119 -1.179 -7.610 1.00 0.00 C ATOM 1019 O GLU A 69 -1.202 -0.747 -8.010 1.00 0.00 O ATOM 1020 CB GLU A 69 1.338 0.830 -7.315 1.00 0.00 C ATOM 1021 CG GLU A 69 1.483 0.710 -5.806 1.00 0.00 C ATOM 1022 CD GLU A 69 0.507 1.591 -5.053 1.00 0.00 C ATOM 1023 OE1 GLU A 69 -0.602 1.832 -5.575 1.00 0.00 O ATOM 1024 OE2 GLU A 69 0.851 2.042 -3.941 1.00 0.00 O ATOM 0 H GLU A 69 0.430 0.106 -9.877 1.00 0.00 H new ATOM 0 HA GLU A 69 2.013 -1.167 -7.731 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.209 1.348 -7.715 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.468 1.447 -7.540 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.330 -0.328 -5.512 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.501 0.976 -5.521 1.00 0.00 H new ATOM 1031 N MET A 70 -0.009 -2.228 -6.803 1.00 0.00 N ATOM 1032 CA MET A 70 -1.180 -2.953 -6.324 1.00 0.00 C ATOM 1033 C MET A 70 -1.413 -2.669 -4.845 1.00 0.00 C ATOM 1034 O MET A 70 -0.477 -2.672 -4.047 1.00 0.00 O ATOM 1035 CB MET A 70 -1.003 -4.455 -6.548 1.00 0.00 C ATOM 1036 CG MET A 70 -2.305 -5.237 -6.487 1.00 0.00 C ATOM 1037 SD MET A 70 -2.104 -6.865 -5.738 1.00 0.00 S ATOM 1038 CE MET A 70 -2.123 -7.911 -7.192 1.00 0.00 C ATOM 0 H MET A 70 0.881 -2.596 -6.466 1.00 0.00 H new ATOM 0 HA MET A 70 -2.050 -2.614 -6.887 1.00 0.00 H new ATOM 0 HB2 MET A 70 -0.537 -4.616 -7.520 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.318 -4.848 -5.797 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.040 -4.668 -5.918 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.703 -5.352 -7.495 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.008 -8.953 -6.892 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.070 -7.787 -7.717 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.302 -7.631 -7.852 1.00 0.00 H new ATOM 1048 N GLY A 71 -2.667 -2.418 -4.485 1.00 0.00 N ATOM 1049 CA GLY A 71 -2.994 -2.130 -3.101 1.00 0.00 C ATOM 1050 C GLY A 71 -3.778 -3.249 -2.445 1.00 0.00 C ATOM 1051 O GLY A 71 -4.407 -4.059 -3.125 1.00 0.00 O ATOM 0 H GLY A 71 -3.461 -2.409 -5.125 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -2.074 -1.959 -2.542 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.573 -1.208 -3.052 1.00 0.00 H new ATOM 1055 N TYR A 72 -3.740 -3.290 -1.119 1.00 0.00 N ATOM 1056 CA TYR A 72 -4.453 -4.313 -0.365 1.00 0.00 C ATOM 1057 C TYR A 72 -5.129 -3.706 0.858 1.00 0.00 C ATOM 1058 O TYR A 72 -4.459 -3.219 1.768 1.00 0.00 O ATOM 1059 CB TYR A 72 -3.491 -5.423 0.066 1.00 0.00 C ATOM 1060 CG TYR A 72 -3.278 -6.484 -0.990 1.00 0.00 C ATOM 1061 CD1 TYR A 72 -4.321 -7.307 -1.395 1.00 0.00 C ATOM 1062 CD2 TYR A 72 -2.033 -6.663 -1.582 1.00 0.00 C ATOM 1063 CE1 TYR A 72 -4.130 -8.279 -2.360 1.00 0.00 C ATOM 1064 CE2 TYR A 72 -1.835 -7.632 -2.547 1.00 0.00 C ATOM 1065 CZ TYR A 72 -2.885 -8.437 -2.932 1.00 0.00 C ATOM 1066 OH TYR A 72 -2.691 -9.403 -3.891 1.00 0.00 O ATOM 0 H TYR A 72 -3.222 -2.626 -0.543 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.220 -4.740 -1.010 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -2.529 -4.979 0.322 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.876 -5.895 0.970 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.297 -7.186 -0.949 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.207 -6.035 -1.283 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.951 -8.911 -2.664 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.862 -7.758 -2.998 1.00 0.00 H new ATOM 0 HH TYR A 72 -2.442 -8.978 -4.738 1.00 0.00 H new ATOM 1076 N ASP A 73 -6.457 -3.735 0.876 1.00 0.00 N ATOM 1077 CA ASP A 73 -7.216 -3.181 1.991 1.00 0.00 C ATOM 1078 C ASP A 73 -7.420 -4.226 3.084 1.00 0.00 C ATOM 1079 O ASP A 73 -7.998 -5.288 2.844 1.00 0.00 O ATOM 1080 CB ASP A 73 -8.570 -2.659 1.509 1.00 0.00 C ATOM 1081 CG ASP A 73 -8.959 -1.355 2.176 1.00 0.00 C ATOM 1082 OD1 ASP A 73 -8.655 -1.189 3.377 1.00 0.00 O ATOM 1083 OD2 ASP A 73 -9.566 -0.499 1.500 1.00 0.00 O ATOM 0 H ASP A 73 -7.029 -4.135 0.133 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.644 -2.352 2.408 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.537 -2.515 0.429 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.336 -3.408 1.708 1.00 0.00 H new ATOM 1088 N TRP A 74 -6.937 -3.914 4.285 1.00 0.00 N ATOM 1089 CA TRP A 74 -7.060 -4.819 5.422 1.00 0.00 C ATOM 1090 C TRP A 74 -7.462 -4.059 6.685 1.00 0.00 C ATOM 1091 O TRP A 74 -6.887 -3.018 7.008 1.00 0.00 O ATOM 1092 CB TRP A 74 -5.740 -5.556 5.657 1.00 0.00 C ATOM 1093 CG TRP A 74 -5.909 -6.870 6.356 1.00 0.00 C ATOM 1094 CD1 TRP A 74 -5.530 -7.174 7.632 1.00 0.00 C ATOM 1095 CD2 TRP A 74 -6.500 -8.058 5.818 1.00 0.00 C ATOM 1096 NE1 TRP A 74 -5.849 -8.480 7.920 1.00 0.00 N ATOM 1097 CE2 TRP A 74 -6.446 -9.043 6.823 1.00 0.00 C ATOM 1098 CE3 TRP A 74 -7.071 -8.387 4.585 1.00 0.00 C ATOM 1099 CZ2 TRP A 74 -6.940 -10.331 6.632 1.00 0.00 C ATOM 1100 CZ3 TRP A 74 -7.561 -9.665 4.396 1.00 0.00 C ATOM 1101 CH2 TRP A 74 -7.493 -10.624 5.415 1.00 0.00 C ATOM 0 H TRP A 74 -6.456 -3.039 4.494 1.00 0.00 H new ATOM 0 HA TRP A 74 -7.840 -5.545 5.193 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.250 -5.723 4.698 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -5.078 -4.922 6.247 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -5.050 -6.489 8.315 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -5.670 -8.953 8.806 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -7.128 -7.654 3.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -6.889 -11.072 7.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -8.004 -9.929 3.447 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -7.885 -11.614 5.237 1.00 0.00 H new ATOM 1361 N GLN A 92 -11.305 -9.220 1.610 1.00 0.00 N ATOM 1362 CA GLN A 92 -9.978 -8.660 1.386 1.00 0.00 C ATOM 1363 C GLN A 92 -10.017 -7.622 0.270 1.00 0.00 C ATOM 1364 O GLN A 92 -10.561 -7.877 -0.805 1.00 0.00 O ATOM 1365 CB GLN A 92 -8.982 -9.768 1.036 1.00 0.00 C ATOM 1366 CG GLN A 92 -7.532 -9.313 1.059 1.00 0.00 C ATOM 1367 CD GLN A 92 -6.577 -10.434 1.418 1.00 0.00 C ATOM 1368 OE1 GLN A 92 -6.948 -11.390 2.101 1.00 0.00 O ATOM 1369 NE2 GLN A 92 -5.335 -10.323 0.959 1.00 0.00 N ATOM 0 HA GLN A 92 -9.653 -8.173 2.305 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -9.107 -10.592 1.739 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -9.217 -10.156 0.045 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -7.265 -8.912 0.081 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -7.421 -8.501 1.778 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -5.069 -9.515 0.397 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -4.647 -11.046 1.169 1.00 0.00 H new ATOM 1378 N GLY A 93 -9.448 -6.451 0.532 1.00 0.00 N ATOM 1379 CA GLY A 93 -9.442 -5.398 -0.466 1.00 0.00 C ATOM 1380 C GLY A 93 -8.287 -5.515 -1.441 1.00 0.00 C ATOM 1381 O GLY A 93 -7.149 -5.759 -1.040 1.00 0.00 O ATOM 0 H GLY A 93 -8.993 -6.213 1.413 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.381 -5.423 -1.019 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.392 -4.431 0.034 1.00 0.00 H new ATOM 1385 N VAL A 94 -8.582 -5.330 -2.723 1.00 0.00 N ATOM 1386 CA VAL A 94 -7.563 -5.402 -3.767 1.00 0.00 C ATOM 1387 C VAL A 94 -7.567 -4.126 -4.601 1.00 0.00 C ATOM 1388 O VAL A 94 -8.580 -3.770 -5.203 1.00 0.00 O ATOM 1389 CB VAL A 94 -7.769 -6.622 -4.694 1.00 0.00 C ATOM 1390 CG1 VAL A 94 -6.884 -7.779 -4.258 1.00 0.00 C ATOM 1391 CG2 VAL A 94 -9.231 -7.047 -4.726 1.00 0.00 C ATOM 0 H VAL A 94 -9.521 -5.128 -3.066 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.600 -5.514 -3.268 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.483 -6.329 -5.704 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.043 -8.629 -4.922 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.838 -7.474 -4.302 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -7.136 -8.065 -3.237 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.346 -7.907 -5.386 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.554 -7.316 -3.720 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.842 -6.223 -5.095 1.00 0.00 H new ATOM 1401 N GLN A 95 -6.434 -3.431 -4.619 1.00 0.00 N ATOM 1402 CA GLN A 95 -6.318 -2.183 -5.364 1.00 0.00 C ATOM 1403 C GLN A 95 -5.434 -2.341 -6.597 1.00 0.00 C ATOM 1404 O GLN A 95 -4.487 -3.127 -6.605 1.00 0.00 O ATOM 1405 CB GLN A 95 -5.756 -1.083 -4.460 1.00 0.00 C ATOM 1406 CG GLN A 95 -6.469 0.252 -4.608 1.00 0.00 C ATOM 1407 CD GLN A 95 -5.514 1.408 -4.828 1.00 0.00 C ATOM 1408 OE1 GLN A 95 -4.298 1.253 -4.714 1.00 0.00 O ATOM 1409 NE2 GLN A 95 -6.061 2.576 -5.142 1.00 0.00 N ATOM 0 H GLN A 95 -5.585 -3.710 -4.127 1.00 0.00 H new ATOM 0 HA GLN A 95 -7.317 -1.906 -5.702 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -5.824 -1.408 -3.422 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.698 -0.947 -4.683 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -7.164 0.196 -5.446 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -7.063 0.443 -3.714 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -7.074 2.659 -5.226 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -5.468 3.391 -5.299 1.00 0.00 H new ATOM 1418 N LEU A 96 -5.752 -1.573 -7.633 1.00 0.00 N ATOM 1419 CA LEU A 96 -4.999 -1.599 -8.883 1.00 0.00 C ATOM 1420 C LEU A 96 -4.808 -0.176 -9.398 1.00 0.00 C ATOM 1421 O LEU A 96 -5.778 0.498 -9.746 1.00 0.00 O ATOM 1422 CB LEU A 96 -5.736 -2.447 -9.925 1.00 0.00 C ATOM 1423 CG LEU A 96 -5.151 -2.407 -11.339 1.00 0.00 C ATOM 1424 CD1 LEU A 96 -5.077 -3.809 -11.928 1.00 0.00 C ATOM 1425 CD2 LEU A 96 -5.983 -1.499 -12.235 1.00 0.00 C ATOM 0 H LEU A 96 -6.534 -0.918 -7.631 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.021 -2.045 -8.702 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.747 -3.482 -9.584 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.773 -2.116 -9.970 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.140 -2.004 -11.280 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.659 -3.760 -12.933 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.441 -4.434 -11.301 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.078 -4.238 -11.972 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.553 -1.482 -13.236 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.005 -1.875 -12.285 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.988 -0.489 -11.825 1.00 0.00 H new ATOM 1437 N THR A 97 -3.560 0.293 -9.426 1.00 0.00 N ATOM 1438 CA THR A 97 -3.282 1.650 -9.879 1.00 0.00 C ATOM 1439 C THR A 97 -1.907 1.759 -10.526 1.00 0.00 C ATOM 1440 O THR A 97 -1.058 0.882 -10.365 1.00 0.00 O ATOM 1441 CB THR A 97 -3.370 2.622 -8.701 1.00 0.00 C ATOM 1442 OG1 THR A 97 -2.197 2.555 -7.909 1.00 0.00 O ATOM 1443 CG2 THR A 97 -4.552 2.361 -7.789 1.00 0.00 C ATOM 0 H THR A 97 -2.738 -0.241 -9.144 1.00 0.00 H new ATOM 0 HA THR A 97 -4.030 1.906 -10.629 1.00 0.00 H new ATOM 0 HB THR A 97 -3.492 3.607 -9.151 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.404 2.124 -7.054 1.00 0.00 H new ATOM 0 HG21 THR A 97 -4.552 3.087 -6.976 1.00 0.00 H new ATOM 0 HG22 THR A 97 -5.477 2.453 -8.357 1.00 0.00 H new ATOM 0 HG23 THR A 97 -4.478 1.355 -7.377 1.00 0.00 H new ATOM 1451 N ALA A 98 -1.695 2.855 -11.247 1.00 0.00 N ATOM 1452 CA ALA A 98 -0.423 3.104 -11.912 1.00 0.00 C ATOM 1453 C ALA A 98 0.447 4.026 -11.063 1.00 0.00 C ATOM 1454 O ALA A 98 -0.022 5.052 -10.569 1.00 0.00 O ATOM 1455 CB ALA A 98 -0.653 3.708 -13.290 1.00 0.00 C ATOM 0 H ALA A 98 -2.391 3.587 -11.385 1.00 0.00 H new ATOM 0 HA ALA A 98 0.097 2.154 -12.035 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.307 3.888 -13.773 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -1.241 3.018 -13.896 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -1.191 4.651 -13.189 1.00 0.00 H new ATOM 1461 N LYS A 99 1.708 3.648 -10.886 1.00 0.00 N ATOM 1462 CA LYS A 99 2.636 4.435 -10.082 1.00 0.00 C ATOM 1463 C LYS A 99 3.671 5.144 -10.950 1.00 0.00 C ATOM 1464 O LYS A 99 4.288 4.537 -11.826 1.00 0.00 O ATOM 1465 CB LYS A 99 3.340 3.544 -9.058 1.00 0.00 C ATOM 1466 CG LYS A 99 4.058 2.356 -9.678 1.00 0.00 C ATOM 1467 CD LYS A 99 5.282 1.958 -8.868 1.00 0.00 C ATOM 1468 CE LYS A 99 6.563 2.487 -9.493 1.00 0.00 C ATOM 1469 NZ LYS A 99 7.505 1.387 -9.840 1.00 0.00 N ATOM 0 H LYS A 99 2.111 2.802 -11.288 1.00 0.00 H new ATOM 0 HA LYS A 99 2.055 5.196 -9.561 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.060 4.143 -8.501 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.606 3.180 -8.340 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.374 1.510 -9.744 1.00 0.00 H new ATOM 0 HG3 LYS A 99 4.359 2.603 -10.696 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.187 2.341 -7.852 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.334 0.872 -8.795 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.321 3.055 -10.391 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.048 3.176 -8.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.380 1.790 -10.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.729 0.839 -8.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.065 0.763 -10.546 1.00 0.00 H new ATOM 1483 N LEU A 100 3.860 6.433 -10.687 1.00 0.00 N ATOM 1484 CA LEU A 100 4.828 7.235 -11.426 1.00 0.00 C ATOM 1485 C LEU A 100 5.633 8.112 -10.471 1.00 0.00 C ATOM 1486 O LEU A 100 5.066 8.885 -9.697 1.00 0.00 O ATOM 1487 CB LEU A 100 4.124 8.101 -12.475 1.00 0.00 C ATOM 1488 CG LEU A 100 3.314 9.277 -11.921 1.00 0.00 C ATOM 1489 CD1 LEU A 100 4.188 10.515 -11.785 1.00 0.00 C ATOM 1490 CD2 LEU A 100 2.118 9.565 -12.815 1.00 0.00 C ATOM 0 H LEU A 100 3.354 6.946 -9.965 1.00 0.00 H new ATOM 0 HA LEU A 100 5.511 6.558 -11.939 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.875 8.491 -13.162 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.457 7.465 -13.058 1.00 0.00 H new ATOM 0 HG LEU A 100 2.949 9.006 -10.930 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.593 11.339 -11.390 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.014 10.305 -11.105 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.584 10.790 -12.763 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.553 10.403 -12.408 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.465 9.814 -13.818 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.478 8.684 -12.861 1.00 0.00 H new ATOM 1502 N GLY A 101 6.955 7.980 -10.523 1.00 0.00 N ATOM 1503 CA GLY A 101 7.813 8.762 -9.652 1.00 0.00 C ATOM 1504 C GLY A 101 9.267 8.731 -10.081 1.00 0.00 C ATOM 1505 O GLY A 101 9.589 8.251 -11.167 1.00 0.00 O ATOM 0 H GLY A 101 7.447 7.346 -11.152 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.465 9.795 -9.638 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.731 8.384 -8.633 1.00 0.00 H new ATOM 1509 N TYR A 102 10.146 9.245 -9.226 1.00 0.00 N ATOM 1510 CA TYR A 102 11.573 9.275 -9.524 1.00 0.00 C ATOM 1511 C TYR A 102 12.398 9.455 -8.250 1.00 0.00 C ATOM 1512 O TYR A 102 11.979 10.150 -7.322 1.00 0.00 O ATOM 1513 CB TYR A 102 11.883 10.403 -10.510 1.00 0.00 C ATOM 1514 CG TYR A 102 13.031 10.098 -11.446 1.00 0.00 C ATOM 1515 CD1 TYR A 102 12.891 9.167 -12.465 1.00 0.00 C ATOM 1516 CD2 TYR A 102 14.255 10.740 -11.306 1.00 0.00 C ATOM 1517 CE1 TYR A 102 13.938 8.884 -13.323 1.00 0.00 C ATOM 1518 CE2 TYR A 102 15.307 10.465 -12.158 1.00 0.00 C ATOM 1519 CZ TYR A 102 15.143 9.536 -13.165 1.00 0.00 C ATOM 1520 OH TYR A 102 16.188 9.257 -14.016 1.00 0.00 O ATOM 0 H TYR A 102 9.895 9.646 -8.322 1.00 0.00 H new ATOM 0 HA TYR A 102 11.843 8.320 -9.974 1.00 0.00 H new ATOM 0 HB2 TYR A 102 10.991 10.612 -11.100 1.00 0.00 H new ATOM 0 HB3 TYR A 102 12.114 11.309 -9.950 1.00 0.00 H new ATOM 0 HD1 TYR A 102 11.949 8.655 -12.590 1.00 0.00 H new ATOM 0 HD2 TYR A 102 14.386 11.466 -10.518 1.00 0.00 H new ATOM 0 HE1 TYR A 102 13.813 8.157 -14.112 1.00 0.00 H new ATOM 0 HE2 TYR A 102 16.252 10.974 -12.037 1.00 0.00 H new ATOM 0 HH TYR A 102 16.965 9.802 -13.770 1.00 0.00 H new ATOM 1530 N PRO A 103 13.588 8.827 -8.188 1.00 0.00 N ATOM 1531 CA PRO A 103 14.473 8.917 -7.029 1.00 0.00 C ATOM 1532 C PRO A 103 15.393 10.131 -7.091 1.00 0.00 C ATOM 1533 O PRO A 103 15.449 10.827 -8.105 1.00 0.00 O ATOM 1534 CB PRO A 103 15.281 7.628 -7.135 1.00 0.00 C ATOM 1535 CG PRO A 103 15.396 7.380 -8.601 1.00 0.00 C ATOM 1536 CD PRO A 103 14.164 7.972 -9.244 1.00 0.00 C ATOM 0 HA PRO A 103 13.926 9.031 -6.093 1.00 0.00 H new ATOM 0 HB2 PRO A 103 16.262 7.735 -6.672 1.00 0.00 H new ATOM 0 HB3 PRO A 103 14.779 6.802 -6.631 1.00 0.00 H new ATOM 0 HG2 PRO A 103 16.299 7.840 -9.001 1.00 0.00 H new ATOM 0 HG3 PRO A 103 15.464 6.312 -8.808 1.00 0.00 H new ATOM 0 HD2 PRO A 103 14.416 8.550 -10.133 1.00 0.00 H new ATOM 0 HD3 PRO A 103 13.464 7.197 -9.556 1.00 0.00 H new ATOM 1601 N LEU A 108 16.179 8.425 -1.484 1.00 0.00 N ATOM 1602 CA LEU A 108 14.964 9.215 -1.316 1.00 0.00 C ATOM 1603 C LEU A 108 14.273 9.408 -2.661 1.00 0.00 C ATOM 1604 O LEU A 108 14.828 10.029 -3.567 1.00 0.00 O ATOM 1605 CB LEU A 108 15.289 10.577 -0.682 1.00 0.00 C ATOM 1606 CG LEU A 108 16.769 10.815 -0.357 1.00 0.00 C ATOM 1607 CD1 LEU A 108 17.026 12.286 -0.068 1.00 0.00 C ATOM 1608 CD2 LEU A 108 17.205 9.956 0.821 1.00 0.00 C ATOM 0 HA LEU A 108 14.290 8.678 -0.649 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.952 11.363 -1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 108 14.712 10.678 0.237 1.00 0.00 H new ATOM 0 HG LEU A 108 17.359 10.529 -1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 108 18.082 12.433 0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 108 16.757 12.881 -0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 108 16.424 12.600 0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 108 18.258 10.140 1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 108 16.607 10.209 1.697 1.00 0.00 H new ATOM 0 HD23 LEU A 108 17.063 8.903 0.576 1.00 0.00 H new ATOM 1620 N ASP A 109 13.068 8.859 -2.795 1.00 0.00 N ATOM 1621 CA ASP A 109 12.325 8.967 -4.045 1.00 0.00 C ATOM 1622 C ASP A 109 10.885 9.416 -3.814 1.00 0.00 C ATOM 1623 O ASP A 109 10.319 9.205 -2.742 1.00 0.00 O ATOM 1624 CB ASP A 109 12.333 7.623 -4.778 1.00 0.00 C ATOM 1625 CG ASP A 109 11.665 6.525 -3.976 1.00 0.00 C ATOM 1626 OD1 ASP A 109 12.176 6.188 -2.887 1.00 0.00 O ATOM 1627 OD2 ASP A 109 10.631 5.998 -4.438 1.00 0.00 O ATOM 0 H ASP A 109 12.590 8.339 -2.059 1.00 0.00 H new ATOM 0 HA ASP A 109 12.819 9.724 -4.655 1.00 0.00 H new ATOM 0 HB2 ASP A 109 11.824 7.731 -5.736 1.00 0.00 H new ATOM 0 HB3 ASP A 109 13.362 7.336 -4.995 1.00 0.00 H new ATOM 1632 N ILE A 110 10.302 10.025 -4.842 1.00 0.00 N ATOM 1633 CA ILE A 110 8.924 10.499 -4.779 1.00 0.00 C ATOM 1634 C ILE A 110 8.080 9.815 -5.851 1.00 0.00 C ATOM 1635 O ILE A 110 8.584 9.503 -6.930 1.00 0.00 O ATOM 1636 CB ILE A 110 8.847 12.029 -4.965 1.00 0.00 C ATOM 1637 CG1 ILE A 110 9.278 12.427 -6.382 1.00 0.00 C ATOM 1638 CG2 ILE A 110 9.712 12.732 -3.929 1.00 0.00 C ATOM 1639 CD1 ILE A 110 8.215 13.185 -7.147 1.00 0.00 C ATOM 0 H ILE A 110 10.766 10.202 -5.733 1.00 0.00 H new ATOM 0 HA ILE A 110 8.534 10.250 -3.792 1.00 0.00 H new ATOM 0 HB ILE A 110 7.812 12.340 -4.824 1.00 0.00 H new ATOM 0 HG12 ILE A 110 10.177 13.040 -6.321 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.543 11.528 -6.938 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.648 13.811 -4.073 1.00 0.00 H new ATOM 0 HG22 ILE A 110 9.361 12.478 -2.929 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.748 12.412 -4.042 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.589 13.434 -8.140 1.00 0.00 H new ATOM 0 HD12 ILE A 110 7.323 12.566 -7.240 1.00 0.00 H new ATOM 0 HD13 ILE A 110 7.966 14.102 -6.613 1.00 0.00 H new ATOM 1651 N TYR A 111 6.804 9.574 -5.561 1.00 0.00 N ATOM 1652 CA TYR A 111 5.934 8.917 -6.531 1.00 0.00 C ATOM 1653 C TYR A 111 4.461 9.118 -6.196 1.00 0.00 C ATOM 1654 O TYR A 111 4.109 9.502 -5.080 1.00 0.00 O ATOM 1655 CB TYR A 111 6.250 7.421 -6.593 1.00 0.00 C ATOM 1656 CG TYR A 111 6.287 6.751 -5.239 1.00 0.00 C ATOM 1657 CD1 TYR A 111 5.135 6.629 -4.472 1.00 0.00 C ATOM 1658 CD2 TYR A 111 7.474 6.240 -4.728 1.00 0.00 C ATOM 1659 CE1 TYR A 111 5.165 6.017 -3.233 1.00 0.00 C ATOM 1660 CE2 TYR A 111 7.512 5.626 -3.491 1.00 0.00 C ATOM 1661 CZ TYR A 111 6.355 5.516 -2.748 1.00 0.00 C ATOM 1662 OH TYR A 111 6.389 4.906 -1.515 1.00 0.00 O ATOM 0 H TYR A 111 6.356 9.819 -4.678 1.00 0.00 H new ATOM 0 HA TYR A 111 6.123 9.372 -7.503 1.00 0.00 H new ATOM 0 HB2 TYR A 111 5.502 6.926 -7.213 1.00 0.00 H new ATOM 0 HB3 TYR A 111 7.213 7.282 -7.084 1.00 0.00 H new ATOM 0 HD1 TYR A 111 4.201 7.019 -4.850 1.00 0.00 H new ATOM 0 HD2 TYR A 111 8.382 6.324 -5.307 1.00 0.00 H new ATOM 0 HE1 TYR A 111 4.261 5.932 -2.648 1.00 0.00 H new ATOM 0 HE2 TYR A 111 8.443 5.234 -3.108 1.00 0.00 H new ATOM 0 HH TYR A 111 7.092 4.223 -1.507 1.00 0.00 H new ATOM 1672 N THR A 112 3.607 8.850 -7.177 1.00 0.00 N ATOM 1673 CA THR A 112 2.167 8.989 -7.007 1.00 0.00 C ATOM 1674 C THR A 112 1.434 7.849 -7.707 1.00 0.00 C ATOM 1675 O THR A 112 1.810 7.440 -8.805 1.00 0.00 O ATOM 1676 CB THR A 112 1.692 10.334 -7.559 1.00 0.00 C ATOM 1677 OG1 THR A 112 2.502 11.390 -7.074 1.00 0.00 O ATOM 1678 CG2 THR A 112 0.256 10.655 -7.203 1.00 0.00 C ATOM 0 H THR A 112 3.890 8.533 -8.104 1.00 0.00 H new ATOM 0 HA THR A 112 1.942 8.947 -5.941 1.00 0.00 H new ATOM 0 HB THR A 112 1.768 10.244 -8.643 1.00 0.00 H new ATOM 0 HG1 THR A 112 2.183 12.241 -7.440 1.00 0.00 H new ATOM 0 HG21 THR A 112 -0.016 11.622 -7.626 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.400 9.885 -7.608 1.00 0.00 H new ATOM 0 HG23 THR A 112 0.149 10.690 -6.119 1.00 0.00 H new ATOM 1686 N ARG A 113 0.389 7.336 -7.063 1.00 0.00 N ATOM 1687 CA ARG A 113 -0.388 6.240 -7.628 1.00 0.00 C ATOM 1688 C ARG A 113 -1.816 6.681 -7.941 1.00 0.00 C ATOM 1689 O ARG A 113 -2.508 7.228 -7.083 1.00 0.00 O ATOM 1690 CB ARG A 113 -0.409 5.050 -6.666 1.00 0.00 C ATOM 1691 CG ARG A 113 -0.697 5.437 -5.224 1.00 0.00 C ATOM 1692 CD ARG A 113 0.582 5.746 -4.460 1.00 0.00 C ATOM 1693 NE ARG A 113 1.410 4.556 -4.269 1.00 0.00 N ATOM 1694 CZ ARG A 113 2.430 4.220 -5.061 1.00 0.00 C ATOM 1695 NH1 ARG A 113 2.748 4.972 -6.108 1.00 0.00 N ATOM 1696 NH2 ARG A 113 3.133 3.127 -4.802 1.00 0.00 N ATOM 0 H ARG A 113 0.063 7.661 -6.153 1.00 0.00 H new ATOM 0 HA ARG A 113 0.090 5.938 -8.560 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -1.163 4.337 -7.000 1.00 0.00 H new ATOM 0 HB3 ARG A 113 0.553 4.540 -6.711 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -1.352 6.308 -5.204 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -1.230 4.626 -4.729 1.00 0.00 H new ATOM 0 HD2 ARG A 113 1.153 6.501 -5.000 1.00 0.00 H new ATOM 0 HD3 ARG A 113 0.330 6.171 -3.489 1.00 0.00 H new ATOM 0 HE ARG A 113 1.194 3.945 -3.481 1.00 0.00 H new ATOM 0 HH11 ARG A 113 2.211 5.815 -6.313 1.00 0.00 H new ATOM 0 HH12 ARG A 113 3.529 4.707 -6.708 1.00 0.00 H new ATOM 0 HH21 ARG A 113 2.894 2.545 -3.999 1.00 0.00 H new ATOM 0 HH22 ARG A 113 3.913 2.868 -5.406 1.00 0.00 H new ATOM 1710 N LEU A 114 -2.246 6.429 -9.175 1.00 0.00 N ATOM 1711 CA LEU A 114 -3.593 6.793 -9.610 1.00 0.00 C ATOM 1712 C LEU A 114 -4.299 5.587 -10.224 1.00 0.00 C ATOM 1713 O LEU A 114 -3.801 4.983 -11.175 1.00 0.00 O ATOM 1714 CB LEU A 114 -3.534 7.941 -10.622 1.00 0.00 C ATOM 1715 CG LEU A 114 -4.880 8.344 -11.233 1.00 0.00 C ATOM 1716 CD1 LEU A 114 -4.927 9.844 -11.495 1.00 0.00 C ATOM 1717 CD2 LEU A 114 -5.131 7.573 -12.522 1.00 0.00 C ATOM 0 H LEU A 114 -1.681 5.974 -9.892 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.159 7.123 -8.739 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.100 8.813 -10.133 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.857 7.658 -11.429 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.666 8.096 -10.520 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -5.892 10.108 -11.929 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -4.792 10.382 -10.556 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -4.131 10.118 -12.187 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.091 7.871 -12.943 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.338 7.791 -13.237 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.144 6.504 -12.310 1.00 0.00 H new ATOM 1729 N GLY A 115 -5.458 5.233 -9.669 1.00 0.00 N ATOM 1730 CA GLY A 115 -6.204 4.095 -10.177 1.00 0.00 C ATOM 1731 C GLY A 115 -7.504 3.873 -9.431 1.00 0.00 C ATOM 1732 O GLY A 115 -8.249 4.820 -9.179 1.00 0.00 O ATOM 0 H GLY A 115 -5.891 5.713 -8.880 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -6.418 4.248 -11.235 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -5.588 3.199 -10.102 1.00 0.00 H new ATOM 1736 N GLY A 116 -7.781 2.621 -9.076 1.00 0.00 N ATOM 1737 CA GLY A 116 -9.006 2.314 -8.358 1.00 0.00 C ATOM 1738 C GLY A 116 -8.858 1.127 -7.427 1.00 0.00 C ATOM 1739 O GLY A 116 -7.915 0.345 -7.549 1.00 0.00 O ATOM 0 H GLY A 116 -7.183 1.818 -9.271 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -9.312 3.187 -7.781 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -9.801 2.111 -9.075 1.00 0.00 H new ATOM 1743 N MET A 117 -9.794 0.995 -6.493 1.00 0.00 N ATOM 1744 CA MET A 117 -9.768 -0.102 -5.534 1.00 0.00 C ATOM 1745 C MET A 117 -11.001 -0.989 -5.687 1.00 0.00 C ATOM 1746 O MET A 117 -12.092 -0.507 -5.994 1.00 0.00 O ATOM 1747 CB MET A 117 -9.689 0.443 -4.105 1.00 0.00 C ATOM 1748 CG MET A 117 -10.954 1.151 -3.648 1.00 0.00 C ATOM 1749 SD MET A 117 -12.074 0.060 -2.751 1.00 0.00 S ATOM 1750 CE MET A 117 -11.151 -0.206 -1.238 1.00 0.00 C ATOM 0 H MET A 117 -10.580 1.635 -6.380 1.00 0.00 H new ATOM 0 HA MET A 117 -8.883 -0.706 -5.734 1.00 0.00 H new ATOM 0 HB2 MET A 117 -9.478 -0.381 -3.423 1.00 0.00 H new ATOM 0 HB3 MET A 117 -8.851 1.136 -4.036 1.00 0.00 H new ATOM 0 HG2 MET A 117 -10.684 1.993 -3.010 1.00 0.00 H new ATOM 0 HG3 MET A 117 -11.470 1.561 -4.516 1.00 0.00 H new ATOM 0 HE1 MET A 117 -11.839 -0.462 -0.432 1.00 0.00 H new ATOM 0 HE2 MET A 117 -10.442 -1.021 -1.383 1.00 0.00 H new ATOM 0 HE3 MET A 117 -10.610 0.703 -0.977 1.00 0.00 H new ATOM 1760 N VAL A 118 -10.813 -2.287 -5.471 1.00 0.00 N ATOM 1761 CA VAL A 118 -11.906 -3.248 -5.581 1.00 0.00 C ATOM 1762 C VAL A 118 -12.015 -4.094 -4.316 1.00 0.00 C ATOM 1763 O VAL A 118 -11.004 -4.470 -3.721 1.00 0.00 O ATOM 1764 CB VAL A 118 -11.725 -4.184 -6.794 1.00 0.00 C ATOM 1765 CG1 VAL A 118 -13.075 -4.693 -7.280 1.00 0.00 C ATOM 1766 CG2 VAL A 118 -10.981 -3.480 -7.922 1.00 0.00 C ATOM 0 H VAL A 118 -9.914 -2.698 -5.219 1.00 0.00 H new ATOM 0 HA VAL A 118 -12.820 -2.670 -5.717 1.00 0.00 H new ATOM 0 HB VAL A 118 -11.126 -5.037 -6.476 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -12.929 -5.352 -8.136 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -13.566 -5.244 -6.478 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -13.698 -3.848 -7.574 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -10.867 -4.162 -8.764 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -11.546 -2.603 -8.239 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -9.997 -3.170 -7.571 1.00 0.00 H new ATOM 1776 N TRP A 119 -13.246 -4.389 -3.908 1.00 0.00 N ATOM 1777 CA TRP A 119 -13.480 -5.190 -2.712 1.00 0.00 C ATOM 1778 C TRP A 119 -14.485 -6.304 -2.988 1.00 0.00 C ATOM 1779 O TRP A 119 -15.382 -6.151 -3.817 1.00 0.00 O ATOM 1780 CB TRP A 119 -13.986 -4.302 -1.572 1.00 0.00 C ATOM 1781 CG TRP A 119 -13.731 -4.878 -0.211 1.00 0.00 C ATOM 1782 CD1 TRP A 119 -12.803 -5.823 0.120 1.00 0.00 C ATOM 1783 CD2 TRP A 119 -14.415 -4.544 1.002 1.00 0.00 C ATOM 1784 NE1 TRP A 119 -12.868 -6.097 1.466 1.00 0.00 N ATOM 1785 CE2 TRP A 119 -13.851 -5.325 2.028 1.00 0.00 C ATOM 1786 CE3 TRP A 119 -15.451 -3.661 1.320 1.00 0.00 C ATOM 1787 CZ2 TRP A 119 -14.287 -5.248 3.348 1.00 0.00 C ATOM 1788 CZ3 TRP A 119 -15.883 -3.587 2.630 1.00 0.00 C ATOM 1789 CH2 TRP A 119 -15.302 -4.375 3.631 1.00 0.00 C ATOM 0 H TRP A 119 -14.094 -4.086 -4.387 1.00 0.00 H new ATOM 0 HA TRP A 119 -12.534 -5.645 -2.419 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -13.506 -3.326 -1.641 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -15.057 -4.140 -1.695 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -12.118 -6.287 -0.574 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -12.281 -6.765 1.965 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -15.905 -3.048 0.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -13.840 -5.856 4.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -16.683 -2.909 2.887 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -15.662 -4.292 4.646 1.00 0.00 H new ATOM 2091 N VAL A 141 -16.319 -1.027 -5.794 1.00 0.00 N ATOM 2092 CA VAL A 141 -15.305 -0.365 -6.605 1.00 0.00 C ATOM 2093 C VAL A 141 -15.269 1.134 -6.320 1.00 0.00 C ATOM 2094 O VAL A 141 -16.311 1.779 -6.217 1.00 0.00 O ATOM 2095 CB VAL A 141 -15.557 -0.588 -8.109 1.00 0.00 C ATOM 2096 CG1 VAL A 141 -16.912 -0.026 -8.516 1.00 0.00 C ATOM 2097 CG2 VAL A 141 -14.444 0.033 -8.940 1.00 0.00 C ATOM 0 HA VAL A 141 -14.345 -0.805 -6.338 1.00 0.00 H new ATOM 0 HB VAL A 141 -15.563 -1.661 -8.298 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -17.070 -0.194 -9.581 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -17.698 -0.525 -7.949 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -16.939 1.044 -8.309 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -14.642 -0.136 -9.998 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -14.400 1.105 -8.746 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -13.491 -0.424 -8.672 1.00 0.00 H new ATOM 2107 N SER A 142 -14.064 1.682 -6.188 1.00 0.00 N ATOM 2108 CA SER A 142 -13.905 3.106 -5.909 1.00 0.00 C ATOM 2109 C SER A 142 -12.569 3.631 -6.437 1.00 0.00 C ATOM 2110 O SER A 142 -11.507 3.198 -5.990 1.00 0.00 O ATOM 2111 CB SER A 142 -14.002 3.359 -4.403 1.00 0.00 C ATOM 2112 OG SER A 142 -15.324 3.710 -4.029 1.00 0.00 O ATOM 0 H SER A 142 -13.188 1.165 -6.269 1.00 0.00 H new ATOM 0 HA SER A 142 -14.706 3.639 -6.421 1.00 0.00 H new ATOM 0 HB2 SER A 142 -13.692 2.466 -3.860 1.00 0.00 H new ATOM 0 HB3 SER A 142 -13.316 4.158 -4.120 1.00 0.00 H new ATOM 0 HG SER A 142 -15.963 3.223 -4.590 1.00 0.00 H new ATOM 2118 N PRO A 143 -12.597 4.580 -7.395 1.00 0.00 N ATOM 2119 CA PRO A 143 -11.380 5.159 -7.968 1.00 0.00 C ATOM 2120 C PRO A 143 -10.695 6.117 -6.997 1.00 0.00 C ATOM 2121 O PRO A 143 -11.357 6.912 -6.331 1.00 0.00 O ATOM 2122 CB PRO A 143 -11.877 5.926 -9.207 1.00 0.00 C ATOM 2123 CG PRO A 143 -13.321 5.571 -9.357 1.00 0.00 C ATOM 2124 CD PRO A 143 -13.801 5.165 -7.995 1.00 0.00 C ATOM 0 HA PRO A 143 -10.641 4.393 -8.202 1.00 0.00 H new ATOM 0 HB2 PRO A 143 -11.751 7.001 -9.078 1.00 0.00 H new ATOM 0 HB3 PRO A 143 -11.311 5.643 -10.095 1.00 0.00 H new ATOM 0 HG2 PRO A 143 -13.892 6.420 -9.733 1.00 0.00 H new ATOM 0 HG3 PRO A 143 -13.449 4.758 -10.072 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -14.166 6.018 -7.423 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -14.618 4.445 -8.050 1.00 0.00 H new ATOM 2132 N VAL A 144 -9.370 6.035 -6.916 1.00 0.00 N ATOM 2133 CA VAL A 144 -8.611 6.896 -6.018 1.00 0.00 C ATOM 2134 C VAL A 144 -7.164 7.039 -6.476 1.00 0.00 C ATOM 2135 O VAL A 144 -6.680 6.256 -7.294 1.00 0.00 O ATOM 2136 CB VAL A 144 -8.624 6.359 -4.576 1.00 0.00 C ATOM 2137 CG1 VAL A 144 -10.029 6.420 -3.995 1.00 0.00 C ATOM 2138 CG2 VAL A 144 -8.081 4.938 -4.530 1.00 0.00 C ATOM 0 H VAL A 144 -8.803 5.384 -7.459 1.00 0.00 H new ATOM 0 HA VAL A 144 -9.096 7.872 -6.042 1.00 0.00 H new ATOM 0 HB VAL A 144 -7.977 6.990 -3.967 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -10.018 6.036 -2.975 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -10.376 7.453 -3.990 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -10.701 5.814 -4.603 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -8.098 4.575 -3.502 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -8.699 4.292 -5.153 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -7.056 4.928 -4.902 1.00 0.00 H new ATOM 2148 N PHE A 145 -6.477 8.041 -5.938 1.00 0.00 N ATOM 2149 CA PHE A 145 -5.083 8.288 -6.282 1.00 0.00 C ATOM 2150 C PHE A 145 -4.331 8.886 -5.098 1.00 0.00 C ATOM 2151 O PHE A 145 -4.710 9.935 -4.577 1.00 0.00 O ATOM 2152 CB PHE A 145 -4.991 9.226 -7.487 1.00 0.00 C ATOM 2153 CG PHE A 145 -5.588 10.581 -7.239 1.00 0.00 C ATOM 2154 CD1 PHE A 145 -6.958 10.773 -7.311 1.00 0.00 C ATOM 2155 CD2 PHE A 145 -4.778 11.664 -6.934 1.00 0.00 C ATOM 2156 CE1 PHE A 145 -7.510 12.020 -7.083 1.00 0.00 C ATOM 2157 CE2 PHE A 145 -5.325 12.913 -6.705 1.00 0.00 C ATOM 2158 CZ PHE A 145 -6.692 13.091 -6.780 1.00 0.00 C ATOM 0 H PHE A 145 -6.865 8.697 -5.260 1.00 0.00 H new ATOM 0 HA PHE A 145 -4.622 7.334 -6.539 1.00 0.00 H new ATOM 0 HB2 PHE A 145 -3.944 9.345 -7.766 1.00 0.00 H new ATOM 0 HB3 PHE A 145 -5.496 8.765 -8.336 1.00 0.00 H new ATOM 0 HD1 PHE A 145 -7.602 9.939 -7.548 1.00 0.00 H new ATOM 0 HD2 PHE A 145 -3.708 11.531 -6.875 1.00 0.00 H new ATOM 0 HE1 PHE A 145 -8.580 12.157 -7.142 1.00 0.00 H new ATOM 0 HE2 PHE A 145 -4.683 13.749 -6.468 1.00 0.00 H new ATOM 0 HZ PHE A 145 -7.121 14.066 -6.602 1.00 0.00 H new ATOM 2168 N ALA A 146 -3.265 8.213 -4.675 1.00 0.00 N ATOM 2169 CA ALA A 146 -2.465 8.681 -3.550 1.00 0.00 C ATOM 2170 C ALA A 146 -1.060 9.065 -3.996 1.00 0.00 C ATOM 2171 O ALA A 146 -0.475 8.419 -4.865 1.00 0.00 O ATOM 2172 CB ALA A 146 -2.404 7.615 -2.467 1.00 0.00 C ATOM 0 H ALA A 146 -2.936 7.343 -5.094 1.00 0.00 H new ATOM 0 HA ALA A 146 -2.943 9.572 -3.142 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -1.803 7.978 -1.633 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -3.412 7.392 -2.118 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -1.952 6.710 -2.873 1.00 0.00 H new ATOM 2178 N GLY A 147 -0.521 10.122 -3.395 1.00 0.00 N ATOM 2179 CA GLY A 147 0.815 10.571 -3.743 1.00 0.00 C ATOM 2180 C GLY A 147 1.655 10.876 -2.521 1.00 0.00 C ATOM 2181 O GLY A 147 1.149 11.405 -1.532 1.00 0.00 O ATOM 0 H GLY A 147 -0.985 10.675 -2.674 1.00 0.00 H new ATOM 0 HA2 GLY A 147 1.310 9.804 -4.339 1.00 0.00 H new ATOM 0 HA3 GLY A 147 0.745 11.463 -4.365 1.00 0.00 H new ATOM 2185 N GLY A 148 2.941 10.541 -2.583 1.00 0.00 N ATOM 2186 CA GLY A 148 3.817 10.793 -1.455 1.00 0.00 C ATOM 2187 C GLY A 148 5.279 10.563 -1.775 1.00 0.00 C ATOM 2188 O GLY A 148 5.689 10.601 -2.939 1.00 0.00 O ATOM 0 H GLY A 148 3.388 10.103 -3.388 1.00 0.00 H new ATOM 0 HA2 GLY A 148 3.682 11.822 -1.121 1.00 0.00 H new ATOM 0 HA3 GLY A 148 3.527 10.148 -0.626 1.00 0.00 H new ATOM 2192 N VAL A 149 6.069 10.322 -0.733 1.00 0.00 N ATOM 2193 CA VAL A 149 7.499 10.086 -0.894 1.00 0.00 C ATOM 2194 C VAL A 149 7.934 8.823 -0.158 1.00 0.00 C ATOM 2195 O VAL A 149 7.216 8.316 0.705 1.00 0.00 O ATOM 2196 CB VAL A 149 8.326 11.279 -0.375 1.00 0.00 C ATOM 2197 CG1 VAL A 149 8.264 12.446 -1.353 1.00 0.00 C ATOM 2198 CG2 VAL A 149 7.845 11.704 1.004 1.00 0.00 C ATOM 0 H VAL A 149 5.742 10.285 0.233 1.00 0.00 H new ATOM 0 HA VAL A 149 7.682 9.962 -1.961 1.00 0.00 H new ATOM 0 HB VAL A 149 9.366 10.963 -0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 149 8.855 13.277 -0.966 1.00 0.00 H new ATOM 0 HG12 VAL A 149 8.665 12.134 -2.318 1.00 0.00 H new ATOM 0 HG13 VAL A 149 7.228 12.763 -1.476 1.00 0.00 H new ATOM 0 HG21 VAL A 149 8.441 12.547 1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 149 6.797 11.998 0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 149 7.952 10.871 1.699 1.00 0.00 H new ATOM 2208 N GLU A 150 9.114 8.319 -0.506 1.00 0.00 N ATOM 2209 CA GLU A 150 9.645 7.114 0.123 1.00 0.00 C ATOM 2210 C GLU A 150 11.105 7.307 0.526 1.00 0.00 C ATOM 2211 O GLU A 150 11.930 7.737 -0.281 1.00 0.00 O ATOM 2212 CB GLU A 150 9.519 5.921 -0.827 1.00 0.00 C ATOM 2213 CG GLU A 150 9.812 4.584 -0.165 1.00 0.00 C ATOM 2214 CD GLU A 150 10.815 3.754 -0.944 1.00 0.00 C ATOM 2215 OE1 GLU A 150 11.969 4.204 -1.094 1.00 0.00 O ATOM 2216 OE2 GLU A 150 10.445 2.653 -1.403 1.00 0.00 O ATOM 0 H GLU A 150 9.720 8.725 -1.219 1.00 0.00 H new ATOM 0 HA GLU A 150 9.062 6.917 1.023 1.00 0.00 H new ATOM 0 HB2 GLU A 150 8.510 5.900 -1.239 1.00 0.00 H new ATOM 0 HB3 GLU A 150 10.202 6.060 -1.665 1.00 0.00 H new ATOM 0 HG2 GLU A 150 10.193 4.757 0.841 1.00 0.00 H new ATOM 0 HG3 GLU A 150 8.883 4.023 -0.062 1.00 0.00 H new ATOM 2223 N TRP A 151 11.413 6.987 1.779 1.00 0.00 N ATOM 2224 CA TRP A 151 12.771 7.123 2.294 1.00 0.00 C ATOM 2225 C TRP A 151 13.324 5.769 2.727 1.00 0.00 C ATOM 2226 O TRP A 151 12.651 5.011 3.423 1.00 0.00 O ATOM 2227 CB TRP A 151 12.798 8.099 3.470 1.00 0.00 C ATOM 2228 CG TRP A 151 14.124 8.769 3.659 1.00 0.00 C ATOM 2229 CD1 TRP A 151 15.317 8.163 3.935 1.00 0.00 C ATOM 2230 CD2 TRP A 151 14.395 10.173 3.587 1.00 0.00 C ATOM 2231 NE1 TRP A 151 16.312 9.105 4.038 1.00 0.00 N ATOM 2232 CE2 TRP A 151 15.770 10.346 3.829 1.00 0.00 C ATOM 2233 CE3 TRP A 151 13.607 11.300 3.341 1.00 0.00 C ATOM 2234 CZ2 TRP A 151 16.374 11.601 3.830 1.00 0.00 C ATOM 2235 CZ3 TRP A 151 14.207 12.546 3.343 1.00 0.00 C ATOM 2236 CH2 TRP A 151 15.578 12.687 3.586 1.00 0.00 C ATOM 0 H TRP A 151 10.739 6.631 2.457 1.00 0.00 H new ATOM 0 HA TRP A 151 13.400 7.514 1.494 1.00 0.00 H new ATOM 0 HB2 TRP A 151 12.033 8.861 3.318 1.00 0.00 H new ATOM 0 HB3 TRP A 151 12.537 7.563 4.383 1.00 0.00 H new ATOM 0 HD1 TRP A 151 15.457 7.099 4.055 1.00 0.00 H new ATOM 0 HE1 TRP A 151 17.294 8.912 4.237 1.00 0.00 H new ATOM 0 HE3 TRP A 151 12.548 11.200 3.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 151 17.432 11.713 4.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 151 13.608 13.424 3.154 1.00 0.00 H new ATOM 0 HH2 TRP A 151 16.017 13.674 3.581 1.00 0.00 H new ATOM 2247 N ALA A 152 14.548 5.468 2.305 1.00 0.00 N ATOM 2248 CA ALA A 152 15.180 4.201 2.650 1.00 0.00 C ATOM 2249 C ALA A 152 16.151 4.359 3.815 1.00 0.00 C ATOM 2250 O ALA A 152 16.956 5.289 3.848 1.00 0.00 O ATOM 2251 CB ALA A 152 15.896 3.623 1.436 1.00 0.00 C ATOM 0 H ALA A 152 15.120 6.082 1.725 1.00 0.00 H new ATOM 0 HA ALA A 152 14.397 3.511 2.964 1.00 0.00 H new ATOM 0 HB1 ALA A 152 16.364 2.677 1.706 1.00 0.00 H new ATOM 0 HB2 ALA A 152 15.176 3.456 0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 152 16.660 4.322 1.097 1.00 0.00 H new ATOM 2257 N VAL A 153 16.068 3.436 4.769 1.00 0.00 N ATOM 2258 CA VAL A 153 16.938 3.460 5.938 1.00 0.00 C ATOM 2259 C VAL A 153 17.842 2.227 5.966 1.00 0.00 C ATOM 2260 O VAL A 153 18.087 1.644 7.022 1.00 0.00 O ATOM 2261 CB VAL A 153 16.118 3.530 7.245 1.00 0.00 C ATOM 2262 CG1 VAL A 153 17.035 3.628 8.457 1.00 0.00 C ATOM 2263 CG2 VAL A 153 15.151 4.707 7.206 1.00 0.00 C ATOM 0 H VAL A 153 15.405 2.661 4.754 1.00 0.00 H new ATOM 0 HA VAL A 153 17.556 4.355 5.866 1.00 0.00 H new ATOM 0 HB VAL A 153 15.539 2.611 7.333 1.00 0.00 H new ATOM 0 HG11 VAL A 153 16.434 3.676 9.365 1.00 0.00 H new ATOM 0 HG12 VAL A 153 17.682 2.751 8.496 1.00 0.00 H new ATOM 0 HG13 VAL A 153 17.647 4.527 8.379 1.00 0.00 H new ATOM 0 HG21 VAL A 153 14.582 4.741 8.135 1.00 0.00 H new ATOM 0 HG22 VAL A 153 15.711 5.635 7.090 1.00 0.00 H new ATOM 0 HG23 VAL A 153 14.467 4.588 6.365 1.00 0.00 H new ATOM 2323 N ILE A 157 15.097 -2.012 4.128 1.00 0.00 N ATOM 2324 CA ILE A 157 13.854 -1.576 4.752 1.00 0.00 C ATOM 2325 C ILE A 157 13.676 -0.065 4.624 1.00 0.00 C ATOM 2326 O ILE A 157 14.393 0.711 5.258 1.00 0.00 O ATOM 2327 CB ILE A 157 13.801 -1.967 6.243 1.00 0.00 C ATOM 2328 CG1 ILE A 157 14.052 -3.467 6.406 1.00 0.00 C ATOM 2329 CG2 ILE A 157 12.462 -1.582 6.849 1.00 0.00 C ATOM 2330 CD1 ILE A 157 14.918 -3.810 7.599 1.00 0.00 C ATOM 0 HA ILE A 157 13.043 -2.081 4.227 1.00 0.00 H new ATOM 0 HB ILE A 157 14.584 -1.424 6.772 1.00 0.00 H new ATOM 0 HG12 ILE A 157 13.095 -3.979 6.503 1.00 0.00 H new ATOM 0 HG13 ILE A 157 14.526 -3.848 5.502 1.00 0.00 H new ATOM 0 HG21 ILE A 157 12.444 -1.866 7.901 1.00 0.00 H new ATOM 0 HG22 ILE A 157 12.319 -0.505 6.761 1.00 0.00 H new ATOM 0 HG23 ILE A 157 11.661 -2.099 6.320 1.00 0.00 H new ATOM 0 HD11 ILE A 157 15.053 -4.890 7.652 1.00 0.00 H new ATOM 0 HD12 ILE A 157 15.890 -3.327 7.494 1.00 0.00 H new ATOM 0 HD13 ILE A 157 14.435 -3.460 8.512 1.00 0.00 H new ATOM 2342 N ALA A 158 12.719 0.345 3.798 1.00 0.00 N ATOM 2343 CA ALA A 158 12.447 1.760 3.581 1.00 0.00 C ATOM 2344 C ALA A 158 11.051 2.138 4.067 1.00 0.00 C ATOM 2345 O ALA A 158 10.151 1.299 4.116 1.00 0.00 O ATOM 2346 CB ALA A 158 12.600 2.103 2.106 1.00 0.00 C ATOM 0 H ALA A 158 12.118 -0.285 3.267 1.00 0.00 H new ATOM 0 HA ALA A 158 13.171 2.334 4.159 1.00 0.00 H new ATOM 0 HB1 ALA A 158 12.394 3.163 1.956 1.00 0.00 H new ATOM 0 HB2 ALA A 158 13.618 1.882 1.785 1.00 0.00 H new ATOM 0 HB3 ALA A 158 11.898 1.510 1.520 1.00 0.00 H new ATOM 2352 N THR A 159 10.878 3.408 4.416 1.00 0.00 N ATOM 2353 CA THR A 159 9.592 3.908 4.888 1.00 0.00 C ATOM 2354 C THR A 159 8.894 4.693 3.784 1.00 0.00 C ATOM 2355 O THR A 159 9.549 5.267 2.914 1.00 0.00 O ATOM 2356 CB THR A 159 9.785 4.793 6.121 1.00 0.00 C ATOM 2357 OG1 THR A 159 10.988 4.464 6.791 1.00 0.00 O ATOM 2358 CG2 THR A 159 8.656 4.681 7.122 1.00 0.00 C ATOM 0 H THR A 159 11.615 4.112 4.381 1.00 0.00 H new ATOM 0 HA THR A 159 8.969 3.057 5.163 1.00 0.00 H new ATOM 0 HB THR A 159 9.811 5.814 5.741 1.00 0.00 H new ATOM 0 HG1 THR A 159 11.094 5.042 7.575 1.00 0.00 H new ATOM 0 HG21 THR A 159 8.857 5.334 7.971 1.00 0.00 H new ATOM 0 HG22 THR A 159 7.720 4.978 6.649 1.00 0.00 H new ATOM 0 HG23 THR A 159 8.577 3.650 7.468 1.00 0.00 H new ATOM 2366 N ARG A 160 7.567 4.709 3.811 1.00 0.00 N ATOM 2367 CA ARG A 160 6.803 5.422 2.797 1.00 0.00 C ATOM 2368 C ARG A 160 5.645 6.208 3.405 1.00 0.00 C ATOM 2369 O ARG A 160 4.879 5.682 4.214 1.00 0.00 O ATOM 2370 CB ARG A 160 6.269 4.440 1.751 1.00 0.00 C ATOM 2371 CG ARG A 160 5.297 3.418 2.317 1.00 0.00 C ATOM 2372 CD ARG A 160 5.526 2.040 1.718 1.00 0.00 C ATOM 2373 NE ARG A 160 5.324 2.032 0.270 1.00 0.00 N ATOM 2374 CZ ARG A 160 4.128 1.999 -0.313 1.00 0.00 C ATOM 2375 NH1 ARG A 160 3.024 1.969 0.424 1.00 0.00 N ATOM 2376 NH2 ARG A 160 4.036 1.997 -1.635 1.00 0.00 N ATOM 0 H ARG A 160 7.002 4.240 4.519 1.00 0.00 H new ATOM 0 HA ARG A 160 7.477 6.134 2.321 1.00 0.00 H new ATOM 0 HB2 ARG A 160 5.773 5.000 0.958 1.00 0.00 H new ATOM 0 HB3 ARG A 160 7.109 3.916 1.294 1.00 0.00 H new ATOM 0 HG2 ARG A 160 5.409 3.368 3.400 1.00 0.00 H new ATOM 0 HG3 ARG A 160 4.274 3.737 2.117 1.00 0.00 H new ATOM 0 HD2 ARG A 160 6.540 1.710 1.944 1.00 0.00 H new ATOM 0 HD3 ARG A 160 4.847 1.325 2.183 1.00 0.00 H new ATOM 0 HE ARG A 160 6.149 2.053 -0.329 1.00 0.00 H new ATOM 0 HH11 ARG A 160 3.090 1.971 1.442 1.00 0.00 H new ATOM 0 HH12 ARG A 160 2.110 1.944 -0.028 1.00 0.00 H new ATOM 0 HH21 ARG A 160 4.881 2.021 -2.205 1.00 0.00 H new ATOM 0 HH22 ARG A 160 3.120 1.972 -2.082 1.00 0.00 H new ATOM 2390 N LEU A 161 5.520 7.464 2.991 1.00 0.00 N ATOM 2391 CA LEU A 161 4.451 8.334 3.468 1.00 0.00 C ATOM 2392 C LEU A 161 3.652 8.865 2.283 1.00 0.00 C ATOM 2393 O LEU A 161 4.205 9.511 1.387 1.00 0.00 O ATOM 2394 CB LEU A 161 5.020 9.496 4.285 1.00 0.00 C ATOM 2395 CG LEU A 161 4.178 9.904 5.498 1.00 0.00 C ATOM 2396 CD1 LEU A 161 4.939 10.895 6.370 1.00 0.00 C ATOM 2397 CD2 LEU A 161 2.848 10.496 5.049 1.00 0.00 C ATOM 0 H LEU A 161 6.151 7.905 2.321 1.00 0.00 H new ATOM 0 HA LEU A 161 3.792 7.754 4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 161 6.018 9.225 4.628 1.00 0.00 H new ATOM 0 HB3 LEU A 161 5.132 10.361 3.631 1.00 0.00 H new ATOM 0 HG LEU A 161 3.975 9.012 6.091 1.00 0.00 H new ATOM 0 HD11 LEU A 161 4.324 11.173 7.226 1.00 0.00 H new ATOM 0 HD12 LEU A 161 5.864 10.436 6.720 1.00 0.00 H new ATOM 0 HD13 LEU A 161 5.174 11.786 5.788 1.00 0.00 H new ATOM 0 HD21 LEU A 161 2.263 10.780 5.923 1.00 0.00 H new ATOM 0 HD22 LEU A 161 3.031 11.376 4.433 1.00 0.00 H new ATOM 0 HD23 LEU A 161 2.297 9.755 4.469 1.00 0.00 H new ATOM 2409 N GLU A 162 2.353 8.572 2.273 1.00 0.00 N ATOM 2410 CA GLU A 162 1.483 9.004 1.184 1.00 0.00 C ATOM 2411 C GLU A 162 0.409 9.973 1.673 1.00 0.00 C ATOM 2412 O GLU A 162 -0.100 9.848 2.787 1.00 0.00 O ATOM 2413 CB GLU A 162 0.829 7.792 0.520 1.00 0.00 C ATOM 2414 CG GLU A 162 1.040 7.736 -0.984 1.00 0.00 C ATOM 2415 CD GLU A 162 2.345 7.066 -1.365 1.00 0.00 C ATOM 2416 OE1 GLU A 162 2.372 5.819 -1.438 1.00 0.00 O ATOM 2417 OE2 GLU A 162 3.339 7.787 -1.589 1.00 0.00 O ATOM 0 H GLU A 162 1.882 8.039 3.004 1.00 0.00 H new ATOM 0 HA GLU A 162 2.100 9.528 0.454 1.00 0.00 H new ATOM 0 HB2 GLU A 162 1.228 6.883 0.969 1.00 0.00 H new ATOM 0 HB3 GLU A 162 -0.241 7.807 0.728 1.00 0.00 H new ATOM 0 HG2 GLU A 162 0.211 7.197 -1.444 1.00 0.00 H new ATOM 0 HG3 GLU A 162 1.024 8.749 -1.387 1.00 0.00 H new ATOM 2424 N TYR A 163 0.067 10.932 0.817 1.00 0.00 N ATOM 2425 CA TYR A 163 -0.950 11.924 1.138 1.00 0.00 C ATOM 2426 C TYR A 163 -2.016 11.970 0.048 1.00 0.00 C ATOM 2427 O TYR A 163 -1.822 11.433 -1.045 1.00 0.00 O ATOM 2428 CB TYR A 163 -0.315 13.305 1.304 1.00 0.00 C ATOM 2429 CG TYR A 163 0.948 13.301 2.136 1.00 0.00 C ATOM 2430 CD1 TYR A 163 2.110 12.705 1.666 1.00 0.00 C ATOM 2431 CD2 TYR A 163 0.976 13.895 3.391 1.00 0.00 C ATOM 2432 CE1 TYR A 163 3.265 12.699 2.424 1.00 0.00 C ATOM 2433 CE2 TYR A 163 2.127 13.894 4.155 1.00 0.00 C ATOM 2434 CZ TYR A 163 3.269 13.296 3.666 1.00 0.00 C ATOM 2435 OH TYR A 163 4.418 13.293 4.423 1.00 0.00 O ATOM 0 H TYR A 163 0.483 11.042 -0.108 1.00 0.00 H new ATOM 0 HA TYR A 163 -1.422 11.637 2.078 1.00 0.00 H new ATOM 0 HB2 TYR A 163 -0.088 13.711 0.318 1.00 0.00 H new ATOM 0 HB3 TYR A 163 -1.041 13.975 1.765 1.00 0.00 H new ATOM 0 HD1 TYR A 163 2.111 12.238 0.692 1.00 0.00 H new ATOM 0 HD2 TYR A 163 0.083 14.365 3.776 1.00 0.00 H new ATOM 0 HE1 TYR A 163 4.160 12.229 2.045 1.00 0.00 H new ATOM 0 HE2 TYR A 163 2.132 14.359 5.130 1.00 0.00 H new ATOM 0 HH TYR A 163 4.252 13.756 5.271 1.00 0.00 H new ATOM 2445 N GLN A 164 -3.140 12.611 0.350 1.00 0.00 N ATOM 2446 CA GLN A 164 -4.235 12.725 -0.606 1.00 0.00 C ATOM 2447 C GLN A 164 -4.545 14.188 -0.908 1.00 0.00 C ATOM 2448 O GLN A 164 -4.436 15.049 -0.034 1.00 0.00 O ATOM 2449 CB GLN A 164 -5.485 12.027 -0.068 1.00 0.00 C ATOM 2450 CG GLN A 164 -6.362 11.424 -1.154 1.00 0.00 C ATOM 2451 CD GLN A 164 -7.787 11.191 -0.691 1.00 0.00 C ATOM 2452 OE1 GLN A 164 -8.507 12.133 -0.363 1.00 0.00 O ATOM 2453 NE2 GLN A 164 -8.201 9.929 -0.664 1.00 0.00 N ATOM 0 H GLN A 164 -3.316 13.059 1.249 1.00 0.00 H new ATOM 0 HA GLN A 164 -3.927 12.240 -1.532 1.00 0.00 H new ATOM 0 HB2 GLN A 164 -5.182 11.239 0.622 1.00 0.00 H new ATOM 0 HB3 GLN A 164 -6.073 12.744 0.505 1.00 0.00 H new ATOM 0 HG2 GLN A 164 -6.369 12.086 -2.020 1.00 0.00 H new ATOM 0 HG3 GLN A 164 -5.931 10.478 -1.480 1.00 0.00 H new ATOM 0 HE21 GLN A 164 -7.569 9.179 -0.945 1.00 0.00 H new ATOM 0 HE22 GLN A 164 -9.150 9.710 -0.362 1.00 0.00 H new ATOM 2724 N LEU A 184 -3.902 10.826 5.103 1.00 0.00 N ATOM 2725 CA LEU A 184 -2.467 10.580 5.207 1.00 0.00 C ATOM 2726 C LEU A 184 -2.196 9.193 5.780 1.00 0.00 C ATOM 2727 O LEU A 184 -2.801 8.792 6.774 1.00 0.00 O ATOM 2728 CB LEU A 184 -1.809 11.646 6.087 1.00 0.00 C ATOM 2729 CG LEU A 184 -1.697 13.033 5.449 1.00 0.00 C ATOM 2730 CD1 LEU A 184 -3.068 13.540 5.030 1.00 0.00 C ATOM 2731 CD2 LEU A 184 -1.037 14.010 6.410 1.00 0.00 C ATOM 0 HA LEU A 184 -2.039 10.631 4.206 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -2.378 11.733 7.013 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -0.810 11.306 6.358 1.00 0.00 H new ATOM 0 HG LEU A 184 -1.074 12.953 4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -2.969 14.527 4.579 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -3.505 12.852 4.306 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -3.715 13.605 5.905 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -0.966 14.991 5.940 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -1.634 14.086 7.319 1.00 0.00 H new ATOM 0 HD23 LEU A 184 -0.038 13.654 6.661 1.00 0.00 H new ATOM 2743 N SER A 185 -1.284 8.462 5.145 1.00 0.00 N ATOM 2744 CA SER A 185 -0.940 7.118 5.594 1.00 0.00 C ATOM 2745 C SER A 185 0.573 6.931 5.660 1.00 0.00 C ATOM 2746 O SER A 185 1.313 7.486 4.845 1.00 0.00 O ATOM 2747 CB SER A 185 -1.550 6.073 4.658 1.00 0.00 C ATOM 2748 OG SER A 185 -2.867 6.438 4.277 1.00 0.00 O ATOM 0 H SER A 185 -0.772 8.777 4.321 1.00 0.00 H new ATOM 0 HA SER A 185 -1.348 6.985 6.596 1.00 0.00 H new ATOM 0 HB2 SER A 185 -0.927 5.967 3.770 1.00 0.00 H new ATOM 0 HB3 SER A 185 -1.567 5.102 5.153 1.00 0.00 H new ATOM 0 HG SER A 185 -3.235 5.756 3.678 1.00 0.00 H new ATOM 2754 N LEU A 186 1.024 6.142 6.632 1.00 0.00 N ATOM 2755 CA LEU A 186 2.452 5.876 6.800 1.00 0.00 C ATOM 2756 C LEU A 186 2.705 4.379 6.942 1.00 0.00 C ATOM 2757 O LEU A 186 1.963 3.678 7.630 1.00 0.00 O ATOM 2758 CB LEU A 186 3.015 6.624 8.022 1.00 0.00 C ATOM 2759 CG LEU A 186 1.994 7.401 8.857 1.00 0.00 C ATOM 2760 CD1 LEU A 186 1.222 6.459 9.768 1.00 0.00 C ATOM 2761 CD2 LEU A 186 2.687 8.486 9.674 1.00 0.00 C ATOM 0 H LEU A 186 0.425 5.677 7.314 1.00 0.00 H new ATOM 0 HA LEU A 186 2.965 6.238 5.909 1.00 0.00 H new ATOM 0 HB2 LEU A 186 3.511 5.901 8.670 1.00 0.00 H new ATOM 0 HB3 LEU A 186 3.779 7.320 7.677 1.00 0.00 H new ATOM 0 HG LEU A 186 1.287 7.879 8.179 1.00 0.00 H new ATOM 0 HD11 LEU A 186 0.501 7.029 10.354 1.00 0.00 H new ATOM 0 HD12 LEU A 186 0.696 5.719 9.165 1.00 0.00 H new ATOM 0 HD13 LEU A 186 1.915 5.952 10.439 1.00 0.00 H new ATOM 0 HD21 LEU A 186 1.946 9.028 10.261 1.00 0.00 H new ATOM 0 HD22 LEU A 186 3.416 8.028 10.343 1.00 0.00 H new ATOM 0 HD23 LEU A 186 3.195 9.178 9.003 1.00 0.00 H new ATOM 2773 N GLY A 187 3.752 3.890 6.281 1.00 0.00 N ATOM 2774 CA GLY A 187 4.068 2.475 6.347 1.00 0.00 C ATOM 2775 C GLY A 187 5.510 2.172 5.992 1.00 0.00 C ATOM 2776 O GLY A 187 6.299 3.081 5.737 1.00 0.00 O ATOM 0 H GLY A 187 4.383 4.446 5.704 1.00 0.00 H new ATOM 0 HA2 GLY A 187 3.863 2.109 7.353 1.00 0.00 H new ATOM 0 HA3 GLY A 187 3.411 1.930 5.670 1.00 0.00 H new ATOM 2780 N VAL A 188 5.847 0.885 5.966 1.00 0.00 N ATOM 2781 CA VAL A 188 7.200 0.454 5.628 1.00 0.00 C ATOM 2782 C VAL A 188 7.169 -0.562 4.493 1.00 0.00 C ATOM 2783 O VAL A 188 6.272 -1.403 4.428 1.00 0.00 O ATOM 2784 CB VAL A 188 7.936 -0.156 6.842 1.00 0.00 C ATOM 2785 CG1 VAL A 188 8.586 0.938 7.675 1.00 0.00 C ATOM 2786 CG2 VAL A 188 6.990 -0.991 7.698 1.00 0.00 C ATOM 0 H VAL A 188 5.202 0.123 6.175 1.00 0.00 H new ATOM 0 HA VAL A 188 7.746 1.343 5.312 1.00 0.00 H new ATOM 0 HB VAL A 188 8.717 -0.817 6.465 1.00 0.00 H new ATOM 0 HG11 VAL A 188 9.100 0.491 8.526 1.00 0.00 H new ATOM 0 HG12 VAL A 188 9.304 1.483 7.063 1.00 0.00 H new ATOM 0 HG13 VAL A 188 7.820 1.625 8.034 1.00 0.00 H new ATOM 0 HG21 VAL A 188 7.537 -1.407 8.544 1.00 0.00 H new ATOM 0 HG22 VAL A 188 6.179 -0.361 8.064 1.00 0.00 H new ATOM 0 HG23 VAL A 188 6.577 -1.802 7.098 1.00 0.00 H new ATOM 2796 N SER A 189 8.142 -0.475 3.589 1.00 0.00 N ATOM 2797 CA SER A 189 8.200 -1.387 2.452 1.00 0.00 C ATOM 2798 C SER A 189 9.625 -1.862 2.186 1.00 0.00 C ATOM 2799 O SER A 189 10.594 -1.232 2.607 1.00 0.00 O ATOM 2800 CB SER A 189 7.634 -0.702 1.203 1.00 0.00 C ATOM 2801 OG SER A 189 8.227 -1.210 0.019 1.00 0.00 O ATOM 0 H SER A 189 8.895 0.212 3.622 1.00 0.00 H new ATOM 0 HA SER A 189 7.596 -2.262 2.693 1.00 0.00 H new ATOM 0 HB2 SER A 189 6.555 -0.850 1.163 1.00 0.00 H new ATOM 0 HB3 SER A 189 7.807 0.372 1.266 1.00 0.00 H new ATOM 0 HG SER A 189 7.844 -0.755 -0.760 1.00 0.00 H new ATOM 2807 N TYR A 190 9.735 -2.981 1.476 1.00 0.00 N ATOM 2808 CA TYR A 190 11.032 -3.552 1.138 1.00 0.00 C ATOM 2809 C TYR A 190 11.223 -3.580 -0.376 1.00 0.00 C ATOM 2810 O TYR A 190 10.266 -3.761 -1.130 1.00 0.00 O ATOM 2811 CB TYR A 190 11.156 -4.969 1.704 1.00 0.00 C ATOM 2812 CG TYR A 190 10.604 -5.116 3.105 1.00 0.00 C ATOM 2813 CD1 TYR A 190 10.947 -4.215 4.106 1.00 0.00 C ATOM 2814 CD2 TYR A 190 9.743 -6.156 3.427 1.00 0.00 C ATOM 2815 CE1 TYR A 190 10.446 -4.346 5.386 1.00 0.00 C ATOM 2816 CE2 TYR A 190 9.235 -6.294 4.706 1.00 0.00 C ATOM 2817 CZ TYR A 190 9.590 -5.388 5.681 1.00 0.00 C ATOM 2818 OH TYR A 190 9.090 -5.521 6.955 1.00 0.00 O ATOM 0 H TYR A 190 8.938 -3.511 1.123 1.00 0.00 H new ATOM 0 HA TYR A 190 11.807 -2.926 1.580 1.00 0.00 H new ATOM 0 HB2 TYR A 190 10.634 -5.661 1.043 1.00 0.00 H new ATOM 0 HB3 TYR A 190 12.207 -5.260 1.705 1.00 0.00 H new ATOM 0 HD1 TYR A 190 11.617 -3.399 3.879 1.00 0.00 H new ATOM 0 HD2 TYR A 190 9.465 -6.870 2.666 1.00 0.00 H new ATOM 0 HE1 TYR A 190 10.722 -3.637 6.152 1.00 0.00 H new ATOM 0 HE2 TYR A 190 8.564 -7.107 4.939 1.00 0.00 H new ATOM 0 HH TYR A 190 8.502 -6.304 6.996 1.00 0.00 H new ATOM 2828 N ARG A 191 12.466 -3.398 -0.813 1.00 0.00 N ATOM 2829 CA ARG A 191 12.784 -3.401 -2.235 1.00 0.00 C ATOM 2830 C ARG A 191 13.711 -4.560 -2.584 1.00 0.00 C ATOM 2831 O ARG A 191 14.591 -4.921 -1.804 1.00 0.00 O ATOM 2832 CB ARG A 191 13.435 -2.075 -2.636 1.00 0.00 C ATOM 2833 CG ARG A 191 14.699 -1.757 -1.854 1.00 0.00 C ATOM 2834 CD ARG A 191 15.927 -1.756 -2.750 1.00 0.00 C ATOM 2835 NE ARG A 191 16.031 -0.528 -3.534 1.00 0.00 N ATOM 2836 CZ ARG A 191 16.890 -0.358 -4.535 1.00 0.00 C ATOM 2837 NH1 ARG A 191 17.722 -1.335 -4.879 1.00 0.00 N ATOM 2838 NH2 ARG A 191 16.918 0.790 -5.197 1.00 0.00 N ATOM 0 H ARG A 191 13.268 -3.247 -0.202 1.00 0.00 H new ATOM 0 HA ARG A 191 11.853 -3.524 -2.789 1.00 0.00 H new ATOM 0 HB2 ARG A 191 13.673 -2.104 -3.699 1.00 0.00 H new ATOM 0 HB3 ARG A 191 12.716 -1.269 -2.492 1.00 0.00 H new ATOM 0 HG2 ARG A 191 14.596 -0.783 -1.376 1.00 0.00 H new ATOM 0 HG3 ARG A 191 14.829 -2.490 -1.058 1.00 0.00 H new ATOM 0 HD2 ARG A 191 16.822 -1.873 -2.139 1.00 0.00 H new ATOM 0 HD3 ARG A 191 15.886 -2.613 -3.422 1.00 0.00 H new ATOM 0 HE ARG A 191 15.408 0.245 -3.300 1.00 0.00 H new ATOM 0 HH11 ARG A 191 17.704 -2.221 -4.375 1.00 0.00 H new ATOM 0 HH12 ARG A 191 18.379 -1.199 -5.648 1.00 0.00 H new ATOM 0 HH21 ARG A 191 16.281 1.543 -4.939 1.00 0.00 H new ATOM 0 HH22 ARG A 191 17.577 0.920 -5.965 1.00 0.00 H new