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 95 GLN : amide:sc= -0.237 K(o=-1.2,f=-2.6) USER MOD Set 1.2: A 117 MET CE :methyl 142:sc= -0.987 (180deg=-0.806) USER MOD Set 2.1: A 61 GLN : amide:sc= 0.182 K(o=0.76,f=-7.7!) USER MOD Set 2.2: A 99 LYS NZ :NH3+ -125:sc= 0.582 (180deg=-0.103) USER MOD Single : A 18 THR OG1 : rot -22:sc= 0.143 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -113:sc= 0.869 (180deg=-0.198) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.221 K(o=-0.22,f=-1.4!) USER MOD Single : A 97 THR OG1 : rot 180:sc= -2.52! USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot -77:sc= -2.04 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 159 THR OG1 : rot 180:sc= 0 USER MOD Single : A 163 TYR OH : rot 171:sc= -0.729 USER MOD Single : A 164 GLN : amide:sc=-0.000657 X(o=-0.00066,f=0.08) USER MOD Single : A 185 SER OG : rot 180:sc= -0.466 USER MOD Single : A 189 SER OG : rot 180:sc= 0 USER MOD Single : A 190 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 275 N THR A 18 12.466 -4.466 -11.422 1.00 0.00 N ATOM 276 CA THR A 18 12.425 -4.045 -10.026 1.00 0.00 C ATOM 277 C THR A 18 11.029 -4.235 -9.442 1.00 0.00 C ATOM 278 O THR A 18 10.030 -3.908 -10.082 1.00 0.00 O ATOM 279 CB THR A 18 12.849 -2.582 -9.900 1.00 0.00 C ATOM 280 OG1 THR A 18 12.079 -1.760 -10.760 1.00 0.00 O ATOM 281 CG2 THR A 18 14.309 -2.350 -10.232 1.00 0.00 C ATOM 0 HA THR A 18 13.122 -4.667 -9.464 1.00 0.00 H new ATOM 0 HB THR A 18 12.685 -2.324 -8.854 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.707 -2.304 -11.486 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.543 -1.291 -10.122 1.00 0.00 H new ATOM 0 HG22 THR A 18 14.933 -2.932 -9.554 1.00 0.00 H new ATOM 0 HG23 THR A 18 14.502 -2.660 -11.259 1.00 0.00 H new ATOM 289 N TRP A 19 10.968 -4.766 -8.226 1.00 0.00 N ATOM 290 CA TRP A 19 9.693 -4.998 -7.557 1.00 0.00 C ATOM 291 C TRP A 19 9.751 -4.553 -6.099 1.00 0.00 C ATOM 292 O TRP A 19 10.713 -4.840 -5.389 1.00 0.00 O ATOM 293 CB TRP A 19 9.318 -6.480 -7.635 1.00 0.00 C ATOM 294 CG TRP A 19 7.949 -6.775 -7.105 1.00 0.00 C ATOM 295 CD1 TRP A 19 7.494 -6.549 -5.837 1.00 0.00 C ATOM 296 CD2 TRP A 19 6.856 -7.353 -7.828 1.00 0.00 C ATOM 297 NE1 TRP A 19 6.185 -6.951 -5.727 1.00 0.00 N ATOM 298 CE2 TRP A 19 5.770 -7.449 -6.935 1.00 0.00 C ATOM 299 CE3 TRP A 19 6.689 -7.799 -9.141 1.00 0.00 C ATOM 300 CZ2 TRP A 19 4.537 -7.971 -7.317 1.00 0.00 C ATOM 301 CZ3 TRP A 19 5.465 -8.317 -9.519 1.00 0.00 C ATOM 302 CH2 TRP A 19 4.402 -8.399 -8.610 1.00 0.00 C ATOM 0 H TRP A 19 11.786 -5.044 -7.684 1.00 0.00 H new ATOM 0 HA TRP A 19 8.931 -4.407 -8.066 1.00 0.00 H new ATOM 0 HB2 TRP A 19 9.376 -6.808 -8.673 1.00 0.00 H new ATOM 0 HB3 TRP A 19 10.050 -7.062 -7.075 1.00 0.00 H new ATOM 0 HD1 TRP A 19 8.078 -6.117 -5.038 1.00 0.00 H new ATOM 0 HE1 TRP A 19 5.615 -6.889 -4.884 1.00 0.00 H new ATOM 0 HE3 TRP A 19 7.503 -7.740 -9.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 3.716 -8.036 -6.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 5.325 -8.664 -10.532 1.00 0.00 H new ATOM 0 HH2 TRP A 19 3.457 -8.808 -8.936 1.00 0.00 H new ATOM 313 N TYR A 20 8.711 -3.851 -5.661 1.00 0.00 N ATOM 314 CA TYR A 20 8.638 -3.367 -4.288 1.00 0.00 C ATOM 315 C TYR A 20 7.389 -3.897 -3.593 1.00 0.00 C ATOM 316 O TYR A 20 6.338 -4.052 -4.216 1.00 0.00 O ATOM 317 CB TYR A 20 8.639 -1.837 -4.264 1.00 0.00 C ATOM 318 CG TYR A 20 9.984 -1.226 -4.589 1.00 0.00 C ATOM 319 CD1 TYR A 20 10.600 -1.468 -5.810 1.00 0.00 C ATOM 320 CD2 TYR A 20 10.635 -0.408 -3.675 1.00 0.00 C ATOM 321 CE1 TYR A 20 11.829 -0.912 -6.111 1.00 0.00 C ATOM 322 CE2 TYR A 20 11.864 0.154 -3.969 1.00 0.00 C ATOM 323 CZ TYR A 20 12.456 -0.103 -5.187 1.00 0.00 C ATOM 324 OH TYR A 20 13.680 0.454 -5.484 1.00 0.00 O ATOM 0 H TYR A 20 7.907 -3.605 -6.238 1.00 0.00 H new ATOM 0 HA TYR A 20 9.514 -3.732 -3.752 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.901 -1.471 -4.978 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.324 -1.497 -3.277 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.111 -2.101 -6.536 1.00 0.00 H new ATOM 0 HD2 TYR A 20 10.174 -0.207 -2.719 1.00 0.00 H new ATOM 0 HE1 TYR A 20 12.296 -1.110 -7.065 1.00 0.00 H new ATOM 0 HE2 TYR A 20 12.357 0.790 -3.249 1.00 0.00 H new ATOM 0 HH TYR A 20 13.984 0.998 -4.728 1.00 0.00 H new ATOM 334 N ALA A 21 7.508 -4.173 -2.297 1.00 0.00 N ATOM 335 CA ALA A 21 6.386 -4.687 -1.521 1.00 0.00 C ATOM 336 C ALA A 21 6.420 -4.166 -0.088 1.00 0.00 C ATOM 337 O ALA A 21 7.488 -4.045 0.515 1.00 0.00 O ATOM 338 CB ALA A 21 6.391 -6.208 -1.532 1.00 0.00 C ATOM 0 H ALA A 21 8.369 -4.049 -1.764 1.00 0.00 H new ATOM 0 HA ALA A 21 5.465 -4.333 -1.984 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.548 -6.579 -0.949 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.307 -6.565 -2.559 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.322 -6.572 -1.096 1.00 0.00 H new ATOM 344 N GLY A 22 5.245 -3.859 0.453 1.00 0.00 N ATOM 345 CA GLY A 22 5.160 -3.355 1.811 1.00 0.00 C ATOM 346 C GLY A 22 3.729 -3.146 2.265 1.00 0.00 C ATOM 347 O GLY A 22 2.791 -3.617 1.621 1.00 0.00 O ATOM 0 H GLY A 22 4.349 -3.951 -0.026 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.653 -4.054 2.486 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.701 -2.411 1.879 1.00 0.00 H new ATOM 351 N GLY A 23 3.560 -2.437 3.378 1.00 0.00 N ATOM 352 CA GLY A 23 2.229 -2.178 3.897 1.00 0.00 C ATOM 353 C GLY A 23 2.074 -0.764 4.419 1.00 0.00 C ATOM 354 O GLY A 23 3.027 -0.179 4.943 1.00 0.00 O ATOM 0 H GLY A 23 4.320 -2.038 3.929 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.495 -2.354 3.110 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.012 -2.884 4.699 1.00 0.00 H new ATOM 358 N LYS A 24 0.872 -0.208 4.272 1.00 0.00 N ATOM 359 CA LYS A 24 0.597 1.151 4.729 1.00 0.00 C ATOM 360 C LYS A 24 -0.640 1.190 5.623 1.00 0.00 C ATOM 361 O LYS A 24 -1.566 0.394 5.456 1.00 0.00 O ATOM 362 CB LYS A 24 0.404 2.082 3.531 1.00 0.00 C ATOM 363 CG LYS A 24 0.281 3.549 3.911 1.00 0.00 C ATOM 364 CD LYS A 24 0.817 4.453 2.813 1.00 0.00 C ATOM 365 CE LYS A 24 -0.148 4.541 1.642 1.00 0.00 C ATOM 366 NZ LYS A 24 0.046 3.425 0.673 1.00 0.00 N ATOM 0 H LYS A 24 0.076 -0.677 3.841 1.00 0.00 H new ATOM 0 HA LYS A 24 1.452 1.490 5.313 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.246 1.962 2.849 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.492 1.780 2.988 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.764 3.790 4.105 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.827 3.734 4.836 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.994 5.450 3.216 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.778 4.074 2.466 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.172 4.524 2.014 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.011 5.493 1.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.407 3.804 -0.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.729 2.744 1.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.863 2.947 0.507 1.00 0.00 H new ATOM 380 N LEU A 25 -0.650 2.126 6.568 1.00 0.00 N ATOM 381 CA LEU A 25 -1.773 2.279 7.489 1.00 0.00 C ATOM 382 C LEU A 25 -2.192 3.743 7.589 1.00 0.00 C ATOM 383 O LEU A 25 -1.356 4.645 7.516 1.00 0.00 O ATOM 384 CB LEU A 25 -1.406 1.747 8.876 1.00 0.00 C ATOM 385 CG LEU A 25 -2.595 1.332 9.748 1.00 0.00 C ATOM 386 CD1 LEU A 25 -2.256 0.094 10.565 1.00 0.00 C ATOM 387 CD2 LEU A 25 -3.012 2.476 10.662 1.00 0.00 C ATOM 0 H LEU A 25 0.109 2.791 6.716 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.611 1.701 7.100 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.746 0.888 8.756 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.838 2.513 9.404 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.432 1.091 9.092 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.114 -0.184 11.177 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.008 -0.728 9.894 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.403 0.306 11.210 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.858 2.163 11.274 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.178 2.748 11.308 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.300 3.337 10.059 1.00 0.00 H new ATOM 399 N GLY A 26 -3.492 3.972 7.755 1.00 0.00 N ATOM 400 CA GLY A 26 -3.998 5.328 7.863 1.00 0.00 C ATOM 401 C GLY A 26 -5.287 5.407 8.656 1.00 0.00 C ATOM 402 O GLY A 26 -5.882 4.384 8.991 1.00 0.00 O ATOM 0 H GLY A 26 -4.203 3.243 7.817 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.244 5.956 8.338 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.165 5.730 6.864 1.00 0.00 H new ATOM 799 N GLY A 53 -7.664 2.029 9.238 1.00 0.00 N ATOM 800 CA GLY A 53 -7.640 1.274 7.998 1.00 0.00 C ATOM 801 C GLY A 53 -6.232 1.076 7.469 1.00 0.00 C ATOM 802 O GLY A 53 -5.418 1.999 7.494 1.00 0.00 O ATOM 0 HA2 GLY A 53 -8.105 0.301 8.159 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.237 1.793 7.248 1.00 0.00 H new ATOM 806 N ALA A 54 -5.947 -0.129 6.988 1.00 0.00 N ATOM 807 CA ALA A 54 -4.628 -0.441 6.449 1.00 0.00 C ATOM 808 C ALA A 54 -4.740 -1.237 5.154 1.00 0.00 C ATOM 809 O ALA A 54 -5.831 -1.644 4.754 1.00 0.00 O ATOM 810 CB ALA A 54 -3.809 -1.210 7.477 1.00 0.00 C ATOM 0 H ALA A 54 -6.609 -0.904 6.960 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.121 0.497 6.224 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.827 -1.437 7.063 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.693 -0.605 8.376 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.321 -2.139 7.728 1.00 0.00 H new ATOM 816 N GLY A 55 -3.604 -1.456 4.498 1.00 0.00 N ATOM 817 CA GLY A 55 -3.603 -2.203 3.256 1.00 0.00 C ATOM 818 C GLY A 55 -2.205 -2.515 2.765 1.00 0.00 C ATOM 819 O GLY A 55 -1.247 -1.824 3.114 1.00 0.00 O ATOM 0 H GLY A 55 -2.687 -1.130 4.804 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.151 -3.135 3.396 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.133 -1.633 2.493 1.00 0.00 H new ATOM 823 N ALA A 56 -2.086 -3.558 1.951 1.00 0.00 N ATOM 824 CA ALA A 56 -0.795 -3.961 1.408 1.00 0.00 C ATOM 825 C ALA A 56 -0.570 -3.356 0.027 1.00 0.00 C ATOM 826 O ALA A 56 -1.517 -2.941 -0.642 1.00 0.00 O ATOM 827 CB ALA A 56 -0.698 -5.479 1.347 1.00 0.00 C ATOM 0 H ALA A 56 -2.869 -4.140 1.653 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.015 -3.587 2.071 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.271 -5.766 0.939 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.806 -5.891 2.350 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.490 -5.869 0.707 1.00 0.00 H new ATOM 833 N PHE A 57 0.690 -3.302 -0.393 1.00 0.00 N ATOM 834 CA PHE A 57 1.037 -2.745 -1.696 1.00 0.00 C ATOM 835 C PHE A 57 2.256 -3.449 -2.284 1.00 0.00 C ATOM 836 O PHE A 57 3.302 -3.540 -1.642 1.00 0.00 O ATOM 837 CB PHE A 57 1.305 -1.243 -1.574 1.00 0.00 C ATOM 838 CG PHE A 57 0.171 -0.391 -2.067 1.00 0.00 C ATOM 839 CD1 PHE A 57 -0.257 -0.478 -3.383 1.00 0.00 C ATOM 840 CD2 PHE A 57 -0.468 0.496 -1.216 1.00 0.00 C ATOM 841 CE1 PHE A 57 -1.300 0.305 -3.839 1.00 0.00 C ATOM 842 CE2 PHE A 57 -1.511 1.282 -1.668 1.00 0.00 C ATOM 843 CZ PHE A 57 -1.928 1.187 -2.981 1.00 0.00 C ATOM 0 H PHE A 57 1.487 -3.637 0.149 1.00 0.00 H new ATOM 0 HA PHE A 57 0.194 -2.903 -2.369 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.504 -1.001 -0.530 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.206 -0.996 -2.136 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.230 -1.165 -4.059 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.147 0.574 -0.188 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.624 0.228 -4.866 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.000 1.970 -0.994 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.743 1.800 -3.336 1.00 0.00 H new ATOM 853 N GLY A 58 2.112 -3.944 -3.508 1.00 0.00 N ATOM 854 CA GLY A 58 3.208 -4.634 -4.164 1.00 0.00 C ATOM 855 C GLY A 58 3.130 -4.532 -5.675 1.00 0.00 C ATOM 856 O GLY A 58 2.056 -4.674 -6.258 1.00 0.00 O ATOM 0 H GLY A 58 1.256 -3.880 -4.058 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.155 -4.215 -3.822 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.200 -5.684 -3.872 1.00 0.00 H new ATOM 860 N GLY A 59 4.271 -4.284 -6.311 1.00 0.00 N ATOM 861 CA GLY A 59 4.300 -4.167 -7.757 1.00 0.00 C ATOM 862 C GLY A 59 5.709 -4.092 -8.308 1.00 0.00 C ATOM 863 O GLY A 59 6.674 -4.391 -7.605 1.00 0.00 O ATOM 0 H GLY A 59 5.174 -4.162 -5.852 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.787 -5.022 -8.197 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.749 -3.276 -8.057 1.00 0.00 H new ATOM 867 N TYR A 60 5.826 -3.695 -9.572 1.00 0.00 N ATOM 868 CA TYR A 60 7.129 -3.586 -10.218 1.00 0.00 C ATOM 869 C TYR A 60 7.171 -2.393 -11.169 1.00 0.00 C ATOM 870 O TYR A 60 6.133 -1.879 -11.588 1.00 0.00 O ATOM 871 CB TYR A 60 7.452 -4.871 -10.981 1.00 0.00 C ATOM 872 CG TYR A 60 6.493 -5.159 -12.114 1.00 0.00 C ATOM 873 CD1 TYR A 60 5.165 -5.480 -11.862 1.00 0.00 C ATOM 874 CD2 TYR A 60 6.915 -5.111 -13.437 1.00 0.00 C ATOM 875 CE1 TYR A 60 4.285 -5.744 -12.894 1.00 0.00 C ATOM 876 CE2 TYR A 60 6.042 -5.373 -14.475 1.00 0.00 C ATOM 877 CZ TYR A 60 4.729 -5.690 -14.198 1.00 0.00 C ATOM 878 OH TYR A 60 3.856 -5.953 -15.229 1.00 0.00 O ATOM 0 H TYR A 60 5.037 -3.444 -10.167 1.00 0.00 H new ATOM 0 HA TYR A 60 7.878 -3.433 -9.441 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.464 -4.802 -11.381 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.441 -5.710 -10.285 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.814 -5.524 -10.841 1.00 0.00 H new ATOM 0 HD2 TYR A 60 7.943 -4.865 -13.658 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.256 -5.991 -12.680 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.386 -5.330 -15.498 1.00 0.00 H new ATOM 0 HH TYR A 60 4.326 -5.872 -16.085 1.00 0.00 H new ATOM 888 N GLN A 61 8.383 -1.963 -11.505 1.00 0.00 N ATOM 889 CA GLN A 61 8.575 -0.836 -12.409 1.00 0.00 C ATOM 890 C GLN A 61 9.338 -1.272 -13.655 1.00 0.00 C ATOM 891 O GLN A 61 10.315 -2.016 -13.568 1.00 0.00 O ATOM 892 CB GLN A 61 9.328 0.293 -11.699 1.00 0.00 C ATOM 893 CG GLN A 61 8.490 1.541 -11.478 1.00 0.00 C ATOM 894 CD GLN A 61 9.308 2.814 -11.553 1.00 0.00 C ATOM 895 OE1 GLN A 61 9.762 3.335 -10.534 1.00 0.00 O ATOM 896 NE2 GLN A 61 9.500 3.324 -12.764 1.00 0.00 N ATOM 0 H GLN A 61 9.249 -2.380 -11.163 1.00 0.00 H new ATOM 0 HA GLN A 61 7.595 -0.469 -12.713 1.00 0.00 H new ATOM 0 HB2 GLN A 61 9.685 -0.070 -10.735 1.00 0.00 H new ATOM 0 HB3 GLN A 61 10.208 0.556 -12.286 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.697 1.579 -12.225 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.006 1.481 -10.503 1.00 0.00 H new ATOM 0 HE21 GLN A 61 9.105 2.859 -13.582 1.00 0.00 H new ATOM 0 HE22 GLN A 61 10.042 4.181 -12.877 1.00 0.00 H new ATOM 970 N LEU A 66 6.914 5.022 -15.308 1.00 0.00 N ATOM 971 CA LEU A 66 5.676 4.252 -15.358 1.00 0.00 C ATOM 972 C LEU A 66 5.817 2.944 -14.583 1.00 0.00 C ATOM 973 O LEU A 66 6.610 2.076 -14.950 1.00 0.00 O ATOM 974 CB LEU A 66 5.292 3.962 -16.812 1.00 0.00 C ATOM 975 CG LEU A 66 3.974 4.587 -17.276 1.00 0.00 C ATOM 976 CD1 LEU A 66 2.795 3.910 -16.596 1.00 0.00 C ATOM 977 CD2 LEU A 66 3.965 6.081 -16.997 1.00 0.00 C ATOM 0 HA LEU A 66 4.888 4.844 -14.893 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.092 4.318 -17.460 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.230 2.882 -16.946 1.00 0.00 H new ATOM 0 HG LEU A 66 3.882 4.438 -18.352 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.866 4.367 -16.938 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.791 2.849 -16.846 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.881 4.028 -15.516 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.020 6.508 -17.333 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.080 6.252 -15.927 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.788 6.556 -17.531 1.00 0.00 H new ATOM 989 N GLY A 67 5.039 2.808 -13.513 1.00 0.00 N ATOM 990 CA GLY A 67 5.090 1.602 -12.707 1.00 0.00 C ATOM 991 C GLY A 67 3.715 1.005 -12.476 1.00 0.00 C ATOM 992 O GLY A 67 2.708 1.708 -12.554 1.00 0.00 O ATOM 0 H GLY A 67 4.375 3.511 -13.190 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.725 0.866 -13.199 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.551 1.829 -11.746 1.00 0.00 H new ATOM 996 N PHE A 68 3.671 -0.294 -12.194 1.00 0.00 N ATOM 997 CA PHE A 68 2.403 -0.979 -11.955 1.00 0.00 C ATOM 998 C PHE A 68 2.453 -1.770 -10.653 1.00 0.00 C ATOM 999 O PHE A 68 3.375 -2.558 -10.432 1.00 0.00 O ATOM 1000 CB PHE A 68 2.075 -1.910 -13.123 1.00 0.00 C ATOM 1001 CG PHE A 68 0.632 -1.868 -13.539 1.00 0.00 C ATOM 1002 CD1 PHE A 68 -0.016 -0.656 -13.718 1.00 0.00 C ATOM 1003 CD2 PHE A 68 -0.076 -3.040 -13.750 1.00 0.00 C ATOM 1004 CE1 PHE A 68 -1.343 -0.614 -14.101 1.00 0.00 C ATOM 1005 CE2 PHE A 68 -1.403 -3.005 -14.132 1.00 0.00 C ATOM 1006 CZ PHE A 68 -2.038 -1.791 -14.308 1.00 0.00 C ATOM 0 H PHE A 68 4.495 -0.892 -12.125 1.00 0.00 H new ATOM 0 HA PHE A 68 1.619 -0.226 -11.871 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.698 -1.642 -13.976 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.335 -2.932 -12.846 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.522 0.266 -13.556 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.415 -3.992 -13.614 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.836 0.337 -14.238 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.944 -3.926 -14.293 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.075 -1.761 -14.607 1.00 0.00 H new ATOM 1016 N GLU A 69 1.463 -1.560 -9.791 1.00 0.00 N ATOM 1017 CA GLU A 69 1.411 -2.259 -8.514 1.00 0.00 C ATOM 1018 C GLU A 69 -0.026 -2.520 -8.078 1.00 0.00 C ATOM 1019 O GLU A 69 -0.947 -1.786 -8.444 1.00 0.00 O ATOM 1020 CB GLU A 69 2.139 -1.449 -7.439 1.00 0.00 C ATOM 1021 CG GLU A 69 1.727 0.013 -7.398 1.00 0.00 C ATOM 1022 CD GLU A 69 2.332 0.814 -8.532 1.00 0.00 C ATOM 1023 OE1 GLU A 69 3.576 0.823 -8.655 1.00 0.00 O ATOM 1024 OE2 GLU A 69 1.565 1.434 -9.296 1.00 0.00 O ATOM 0 H GLU A 69 0.690 -0.915 -9.953 1.00 0.00 H new ATOM 0 HA GLU A 69 1.906 -3.221 -8.643 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.948 -1.899 -6.465 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.213 -1.511 -7.614 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.640 0.083 -7.446 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.033 0.447 -6.446 1.00 0.00 H new ATOM 1031 N MET A 70 -0.201 -3.568 -7.282 1.00 0.00 N ATOM 1032 CA MET A 70 -1.512 -3.938 -6.771 1.00 0.00 C ATOM 1033 C MET A 70 -1.525 -3.858 -5.248 1.00 0.00 C ATOM 1034 O MET A 70 -0.567 -4.262 -4.590 1.00 0.00 O ATOM 1035 CB MET A 70 -1.883 -5.351 -7.224 1.00 0.00 C ATOM 1036 CG MET A 70 -0.865 -6.406 -6.821 1.00 0.00 C ATOM 1037 SD MET A 70 -1.604 -8.035 -6.596 1.00 0.00 S ATOM 1038 CE MET A 70 -0.251 -8.916 -5.820 1.00 0.00 C ATOM 0 H MET A 70 0.556 -4.180 -6.976 1.00 0.00 H new ATOM 0 HA MET A 70 -2.248 -3.239 -7.169 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.853 -5.615 -6.804 1.00 0.00 H new ATOM 0 HB3 MET A 70 -1.992 -5.359 -8.308 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.089 -6.466 -7.584 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.379 -6.101 -5.894 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.554 -9.943 -5.617 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.612 -8.917 -6.486 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.014 -8.425 -4.884 1.00 0.00 H new ATOM 1048 N GLY A 71 -2.609 -3.327 -4.695 1.00 0.00 N ATOM 1049 CA GLY A 71 -2.711 -3.200 -3.254 1.00 0.00 C ATOM 1050 C GLY A 71 -3.732 -4.145 -2.655 1.00 0.00 C ATOM 1051 O GLY A 71 -4.430 -4.856 -3.378 1.00 0.00 O ATOM 0 H GLY A 71 -3.416 -2.984 -5.216 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.736 -3.394 -2.806 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.980 -2.174 -3.002 1.00 0.00 H new ATOM 1055 N TYR A 72 -3.818 -4.151 -1.332 1.00 0.00 N ATOM 1056 CA TYR A 72 -4.761 -5.012 -0.630 1.00 0.00 C ATOM 1057 C TYR A 72 -5.484 -4.236 0.465 1.00 0.00 C ATOM 1058 O TYR A 72 -4.866 -3.792 1.432 1.00 0.00 O ATOM 1059 CB TYR A 72 -4.034 -6.219 -0.032 1.00 0.00 C ATOM 1060 CG TYR A 72 -4.328 -7.520 -0.746 1.00 0.00 C ATOM 1061 CD1 TYR A 72 -3.588 -7.908 -1.856 1.00 0.00 C ATOM 1062 CD2 TYR A 72 -5.347 -8.357 -0.311 1.00 0.00 C ATOM 1063 CE1 TYR A 72 -3.854 -9.094 -2.511 1.00 0.00 C ATOM 1064 CE2 TYR A 72 -5.618 -9.546 -0.961 1.00 0.00 C ATOM 1065 CZ TYR A 72 -4.870 -9.911 -2.060 1.00 0.00 C ATOM 1066 OH TYR A 72 -5.138 -11.094 -2.708 1.00 0.00 O ATOM 0 H TYR A 72 -3.245 -3.568 -0.722 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.501 -5.368 -1.347 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -2.960 -6.035 -0.058 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.315 -6.318 1.016 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -2.792 -7.271 -2.212 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -5.937 -8.074 0.548 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.269 -9.381 -3.373 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -6.413 -10.187 -0.609 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.882 -11.550 -2.262 1.00 0.00 H new ATOM 1076 N ASP A 73 -6.794 -4.078 0.305 1.00 0.00 N ATOM 1077 CA ASP A 73 -7.601 -3.352 1.280 1.00 0.00 C ATOM 1078 C ASP A 73 -7.896 -4.217 2.501 1.00 0.00 C ATOM 1079 O ASP A 73 -8.483 -5.294 2.384 1.00 0.00 O ATOM 1080 CB ASP A 73 -8.912 -2.887 0.641 1.00 0.00 C ATOM 1081 CG ASP A 73 -9.366 -1.540 1.167 1.00 0.00 C ATOM 1082 OD1 ASP A 73 -9.103 -1.246 2.351 1.00 0.00 O ATOM 1083 OD2 ASP A 73 -9.983 -0.779 0.392 1.00 0.00 O ATOM 0 H ASP A 73 -7.319 -4.442 -0.490 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.032 -2.481 1.606 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.785 -2.828 -0.440 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.688 -3.628 0.831 1.00 0.00 H new ATOM 1088 N TRP A 74 -7.486 -3.735 3.672 1.00 0.00 N ATOM 1089 CA TRP A 74 -7.706 -4.459 4.918 1.00 0.00 C ATOM 1090 C TRP A 74 -8.118 -3.505 6.036 1.00 0.00 C ATOM 1091 O TRP A 74 -7.355 -2.619 6.425 1.00 0.00 O ATOM 1092 CB TRP A 74 -6.440 -5.222 5.318 1.00 0.00 C ATOM 1093 CG TRP A 74 -6.504 -6.684 5.001 1.00 0.00 C ATOM 1094 CD1 TRP A 74 -6.052 -7.298 3.868 1.00 0.00 C ATOM 1095 CD2 TRP A 74 -7.051 -7.718 5.826 1.00 0.00 C ATOM 1096 NE1 TRP A 74 -6.285 -8.650 3.939 1.00 0.00 N ATOM 1097 CE2 TRP A 74 -6.897 -8.932 5.132 1.00 0.00 C ATOM 1098 CE3 TRP A 74 -7.655 -7.735 7.087 1.00 0.00 C ATOM 1099 CZ2 TRP A 74 -7.325 -10.150 5.656 1.00 0.00 C ATOM 1100 CZ3 TRP A 74 -8.080 -8.944 7.606 1.00 0.00 C ATOM 1101 CH2 TRP A 74 -7.914 -10.136 6.890 1.00 0.00 C ATOM 0 H TRP A 74 -6.999 -2.845 3.782 1.00 0.00 H new ATOM 0 HA TRP A 74 -8.515 -5.172 4.759 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.583 -4.784 4.806 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -6.271 -5.096 6.387 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -5.580 -6.794 3.037 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -6.042 -9.332 3.221 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -7.787 -6.820 7.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -7.196 -11.071 5.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -8.548 -8.969 8.579 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -8.259 -11.064 7.322 1.00 0.00 H new ATOM 1361 N GLN A 92 -11.794 -8.956 2.021 1.00 0.00 N ATOM 1362 CA GLN A 92 -10.475 -8.602 1.508 1.00 0.00 C ATOM 1363 C GLN A 92 -10.598 -7.800 0.219 1.00 0.00 C ATOM 1364 O GLN A 92 -11.312 -8.197 -0.703 1.00 0.00 O ATOM 1365 CB GLN A 92 -9.645 -9.863 1.261 1.00 0.00 C ATOM 1366 CG GLN A 92 -10.281 -10.827 0.273 1.00 0.00 C ATOM 1367 CD GLN A 92 -10.687 -12.140 0.915 1.00 0.00 C ATOM 1368 OE1 GLN A 92 -10.090 -12.572 1.900 1.00 0.00 O ATOM 1369 NE2 GLN A 92 -11.709 -12.778 0.357 1.00 0.00 N ATOM 0 HA GLN A 92 -9.972 -7.987 2.254 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -8.661 -9.574 0.891 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -9.490 -10.378 2.209 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -11.159 -10.358 -0.172 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -9.580 -11.025 -0.538 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -12.174 -12.381 -0.460 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -12.029 -13.665 0.745 1.00 0.00 H new ATOM 1378 N GLY A 93 -9.909 -6.665 0.160 1.00 0.00 N ATOM 1379 CA GLY A 93 -9.968 -5.828 -1.023 1.00 0.00 C ATOM 1380 C GLY A 93 -8.716 -5.920 -1.874 1.00 0.00 C ATOM 1381 O GLY A 93 -7.605 -5.989 -1.353 1.00 0.00 O ATOM 0 H GLY A 93 -9.313 -6.311 0.908 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.831 -6.116 -1.623 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.121 -4.792 -0.722 1.00 0.00 H new ATOM 1385 N VAL A 94 -8.903 -5.907 -3.190 1.00 0.00 N ATOM 1386 CA VAL A 94 -7.784 -5.973 -4.126 1.00 0.00 C ATOM 1387 C VAL A 94 -7.648 -4.650 -4.872 1.00 0.00 C ATOM 1388 O VAL A 94 -8.611 -4.158 -5.461 1.00 0.00 O ATOM 1389 CB VAL A 94 -7.942 -7.124 -5.147 1.00 0.00 C ATOM 1390 CG1 VAL A 94 -7.148 -8.343 -4.706 1.00 0.00 C ATOM 1391 CG2 VAL A 94 -9.409 -7.488 -5.345 1.00 0.00 C ATOM 0 H VAL A 94 -9.820 -5.851 -3.634 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.886 -6.167 -3.540 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.548 -6.779 -6.103 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.272 -9.142 -5.437 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -6.093 -8.082 -4.629 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -7.509 -8.681 -3.735 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.488 -8.300 -6.068 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.837 -7.806 -4.394 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.953 -6.619 -5.715 1.00 0.00 H new ATOM 1401 N GLN A 95 -6.455 -4.065 -4.829 1.00 0.00 N ATOM 1402 CA GLN A 95 -6.214 -2.785 -5.486 1.00 0.00 C ATOM 1403 C GLN A 95 -5.330 -2.933 -6.721 1.00 0.00 C ATOM 1404 O GLN A 95 -4.436 -3.780 -6.769 1.00 0.00 O ATOM 1405 CB GLN A 95 -5.573 -1.801 -4.505 1.00 0.00 C ATOM 1406 CG GLN A 95 -6.569 -0.851 -3.859 1.00 0.00 C ATOM 1407 CD GLN A 95 -6.047 -0.247 -2.571 1.00 0.00 C ATOM 1408 OE1 GLN A 95 -6.505 -0.589 -1.480 1.00 0.00 O ATOM 1409 NE2 GLN A 95 -5.084 0.659 -2.690 1.00 0.00 N ATOM 0 H GLN A 95 -5.644 -4.454 -4.349 1.00 0.00 H new ATOM 0 HA GLN A 95 -7.180 -2.401 -5.813 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -5.059 -2.362 -3.724 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.816 -1.219 -5.030 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -6.810 -0.051 -4.560 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -7.496 -1.386 -3.655 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -4.734 0.913 -3.614 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -4.694 1.101 -1.858 1.00 0.00 H new ATOM 1418 N LEU A 96 -5.591 -2.088 -7.711 1.00 0.00 N ATOM 1419 CA LEU A 96 -4.837 -2.083 -8.960 1.00 0.00 C ATOM 1420 C LEU A 96 -4.583 -0.640 -9.392 1.00 0.00 C ATOM 1421 O LEU A 96 -5.526 0.105 -9.661 1.00 0.00 O ATOM 1422 CB LEU A 96 -5.616 -2.843 -10.041 1.00 0.00 C ATOM 1423 CG LEU A 96 -5.126 -2.647 -11.478 1.00 0.00 C ATOM 1424 CD1 LEU A 96 -5.193 -3.958 -12.248 1.00 0.00 C ATOM 1425 CD2 LEU A 96 -5.950 -1.577 -12.181 1.00 0.00 C ATOM 0 H LEU A 96 -6.331 -1.387 -7.671 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.878 -2.581 -8.813 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.581 -3.907 -9.807 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.662 -2.540 -9.989 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.087 -2.318 -11.445 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.841 -3.800 -13.267 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.563 -4.700 -11.758 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.223 -4.314 -12.271 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.588 -1.451 -13.201 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.997 -1.880 -12.202 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.856 -0.634 -11.643 1.00 0.00 H new ATOM 1437 N THR A 97 -3.314 -0.233 -9.435 1.00 0.00 N ATOM 1438 CA THR A 97 -2.986 1.139 -9.810 1.00 0.00 C ATOM 1439 C THR A 97 -1.584 1.252 -10.399 1.00 0.00 C ATOM 1440 O THR A 97 -0.790 0.312 -10.341 1.00 0.00 O ATOM 1441 CB THR A 97 -3.101 2.052 -8.586 1.00 0.00 C ATOM 1442 OG1 THR A 97 -2.470 3.297 -8.825 1.00 0.00 O ATOM 1443 CG2 THR A 97 -2.481 1.461 -7.337 1.00 0.00 C ATOM 0 H THR A 97 -2.511 -0.823 -9.219 1.00 0.00 H new ATOM 0 HA THR A 97 -3.696 1.448 -10.577 1.00 0.00 H new ATOM 0 HB THR A 97 -4.171 2.175 -8.421 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.557 3.865 -8.031 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.597 2.159 -6.508 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.978 0.522 -7.093 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.421 1.276 -7.510 1.00 0.00 H new ATOM 1451 N ALA A 98 -1.289 2.425 -10.953 1.00 0.00 N ATOM 1452 CA ALA A 98 0.017 2.692 -11.544 1.00 0.00 C ATOM 1453 C ALA A 98 0.797 3.669 -10.673 1.00 0.00 C ATOM 1454 O ALA A 98 0.211 4.511 -9.994 1.00 0.00 O ATOM 1455 CB ALA A 98 -0.141 3.242 -12.953 1.00 0.00 C ATOM 0 H ALA A 98 -1.941 3.208 -11.004 1.00 0.00 H new ATOM 0 HA ALA A 98 0.573 1.757 -11.602 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.843 3.436 -13.380 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.668 2.515 -13.571 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.711 4.170 -12.919 1.00 0.00 H new ATOM 1461 N LYS A 99 2.122 3.549 -10.683 1.00 0.00 N ATOM 1462 CA LYS A 99 2.967 4.424 -9.877 1.00 0.00 C ATOM 1463 C LYS A 99 3.997 5.155 -10.730 1.00 0.00 C ATOM 1464 O LYS A 99 4.686 4.548 -11.550 1.00 0.00 O ATOM 1465 CB LYS A 99 3.674 3.618 -8.785 1.00 0.00 C ATOM 1466 CG LYS A 99 4.573 4.457 -7.892 1.00 0.00 C ATOM 1467 CD LYS A 99 5.890 3.753 -7.598 1.00 0.00 C ATOM 1468 CE LYS A 99 7.081 4.586 -8.046 1.00 0.00 C ATOM 1469 NZ LYS A 99 7.592 4.154 -9.375 1.00 0.00 N ATOM 0 H LYS A 99 2.630 2.859 -11.236 1.00 0.00 H new ATOM 0 HA LYS A 99 2.321 5.172 -9.416 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.924 3.123 -8.168 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.270 2.834 -9.253 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.772 5.415 -8.373 1.00 0.00 H new ATOM 0 HG3 LYS A 99 4.058 4.671 -6.956 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.966 3.553 -6.529 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.909 2.788 -8.105 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.793 5.636 -8.092 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.878 4.506 -7.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.606 3.933 -9.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.075 3.308 -9.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.453 4.919 -10.066 1.00 0.00 H new ATOM 1483 N LEU A 100 4.099 6.462 -10.517 1.00 0.00 N ATOM 1484 CA LEU A 100 5.050 7.289 -11.249 1.00 0.00 C ATOM 1485 C LEU A 100 5.802 8.205 -10.286 1.00 0.00 C ATOM 1486 O LEU A 100 5.189 8.951 -9.519 1.00 0.00 O ATOM 1487 CB LEU A 100 4.332 8.119 -12.316 1.00 0.00 C ATOM 1488 CG LEU A 100 3.359 9.170 -11.778 1.00 0.00 C ATOM 1489 CD1 LEU A 100 4.069 10.500 -11.572 1.00 0.00 C ATOM 1490 CD2 LEU A 100 2.179 9.336 -12.725 1.00 0.00 C ATOM 0 H LEU A 100 3.532 6.973 -9.840 1.00 0.00 H new ATOM 0 HA LEU A 100 5.767 6.635 -11.745 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.081 8.621 -12.928 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.785 7.442 -12.972 1.00 0.00 H new ATOM 0 HG LEU A 100 2.982 8.829 -10.814 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.361 11.235 -11.189 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.881 10.372 -10.857 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.474 10.847 -12.523 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.496 10.087 -12.328 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.539 9.655 -13.703 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.655 8.385 -12.823 1.00 0.00 H new ATOM 1502 N GLY A 101 7.128 8.139 -10.322 1.00 0.00 N ATOM 1503 CA GLY A 101 7.934 8.962 -9.438 1.00 0.00 C ATOM 1504 C GLY A 101 9.380 9.065 -9.884 1.00 0.00 C ATOM 1505 O GLY A 101 9.729 8.652 -10.990 1.00 0.00 O ATOM 0 H GLY A 101 7.659 7.532 -10.946 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.503 9.962 -9.387 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.898 8.547 -8.431 1.00 0.00 H new ATOM 1509 N TYR A 102 10.221 9.624 -9.018 1.00 0.00 N ATOM 1510 CA TYR A 102 11.640 9.789 -9.320 1.00 0.00 C ATOM 1511 C TYR A 102 12.461 9.916 -8.035 1.00 0.00 C ATOM 1512 O TYR A 102 11.998 10.487 -7.048 1.00 0.00 O ATOM 1513 CB TYR A 102 11.851 11.024 -10.200 1.00 0.00 C ATOM 1514 CG TYR A 102 12.339 10.699 -11.595 1.00 0.00 C ATOM 1515 CD1 TYR A 102 11.445 10.341 -12.598 1.00 0.00 C ATOM 1516 CD2 TYR A 102 13.690 10.753 -11.908 1.00 0.00 C ATOM 1517 CE1 TYR A 102 11.887 10.046 -13.874 1.00 0.00 C ATOM 1518 CE2 TYR A 102 14.139 10.458 -13.181 1.00 0.00 C ATOM 1519 CZ TYR A 102 13.234 10.106 -14.160 1.00 0.00 C ATOM 1520 OH TYR A 102 13.678 9.813 -15.429 1.00 0.00 O ATOM 0 H TYR A 102 9.944 9.971 -8.100 1.00 0.00 H new ATOM 0 HA TYR A 102 11.979 8.904 -9.858 1.00 0.00 H new ATOM 0 HB2 TYR A 102 10.912 11.573 -10.272 1.00 0.00 H new ATOM 0 HB3 TYR A 102 12.571 11.685 -9.717 1.00 0.00 H new ATOM 0 HD1 TYR A 102 10.389 10.293 -12.377 1.00 0.00 H new ATOM 0 HD2 TYR A 102 14.402 11.030 -11.144 1.00 0.00 H new ATOM 0 HE1 TYR A 102 11.181 9.770 -14.643 1.00 0.00 H new ATOM 0 HE2 TYR A 102 15.194 10.503 -13.408 1.00 0.00 H new ATOM 0 HH TYR A 102 14.653 9.904 -15.463 1.00 0.00 H new ATOM 1530 N PRO A 103 13.697 9.380 -8.031 1.00 0.00 N ATOM 1531 CA PRO A 103 14.580 9.433 -6.864 1.00 0.00 C ATOM 1532 C PRO A 103 15.333 10.755 -6.757 1.00 0.00 C ATOM 1533 O PRO A 103 15.350 11.549 -7.698 1.00 0.00 O ATOM 1534 CB PRO A 103 15.550 8.287 -7.129 1.00 0.00 C ATOM 1535 CG PRO A 103 15.662 8.229 -8.615 1.00 0.00 C ATOM 1536 CD PRO A 103 14.328 8.675 -9.164 1.00 0.00 C ATOM 0 HA PRO A 103 14.031 9.351 -5.926 1.00 0.00 H new ATOM 0 HB2 PRO A 103 16.519 8.472 -6.665 1.00 0.00 H new ATOM 0 HB3 PRO A 103 15.175 7.348 -6.722 1.00 0.00 H new ATOM 0 HG2 PRO A 103 16.463 8.877 -8.969 1.00 0.00 H new ATOM 0 HG3 PRO A 103 15.900 7.218 -8.947 1.00 0.00 H new ATOM 0 HD2 PRO A 103 14.450 9.332 -10.026 1.00 0.00 H new ATOM 0 HD3 PRO A 103 13.727 7.827 -9.492 1.00 0.00 H new ATOM 1601 N LEU A 108 16.261 9.001 -1.173 1.00 0.00 N ATOM 1602 CA LEU A 108 15.013 9.746 -1.032 1.00 0.00 C ATOM 1603 C LEU A 108 14.338 9.891 -2.392 1.00 0.00 C ATOM 1604 O LEU A 108 14.904 10.477 -3.313 1.00 0.00 O ATOM 1605 CB LEU A 108 15.272 11.131 -0.419 1.00 0.00 C ATOM 1606 CG LEU A 108 16.727 11.419 -0.028 1.00 0.00 C ATOM 1607 CD1 LEU A 108 16.970 12.918 0.068 1.00 0.00 C ATOM 1608 CD2 LEU A 108 17.069 10.737 1.286 1.00 0.00 C ATOM 0 HA LEU A 108 14.353 9.194 -0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.948 11.890 -1.131 1.00 0.00 H new ATOM 0 HB3 LEU A 108 14.648 11.239 0.468 1.00 0.00 H new ATOM 0 HG LEU A 108 17.378 11.017 -0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 108 18.008 13.101 0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 108 16.766 13.382 -0.897 1.00 0.00 H new ATOM 0 HD13 LEU A 108 16.311 13.346 0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 108 18.105 10.952 1.549 1.00 0.00 H new ATOM 0 HD22 LEU A 108 16.411 11.109 2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.937 9.660 1.182 1.00 0.00 H new ATOM 1620 N ASP A 109 13.135 9.336 -2.523 1.00 0.00 N ATOM 1621 CA ASP A 109 12.412 9.398 -3.789 1.00 0.00 C ATOM 1622 C ASP A 109 10.951 9.783 -3.596 1.00 0.00 C ATOM 1623 O ASP A 109 10.354 9.514 -2.552 1.00 0.00 O ATOM 1624 CB ASP A 109 12.496 8.048 -4.504 1.00 0.00 C ATOM 1625 CG ASP A 109 11.869 6.929 -3.698 1.00 0.00 C ATOM 1626 OD1 ASP A 109 12.561 6.366 -2.824 1.00 0.00 O ATOM 1627 OD2 ASP A 109 10.685 6.613 -3.941 1.00 0.00 O ATOM 0 H ASP A 109 12.645 8.843 -1.776 1.00 0.00 H new ATOM 0 HA ASP A 109 12.883 10.172 -4.396 1.00 0.00 H new ATOM 0 HB2 ASP A 109 11.997 8.120 -5.470 1.00 0.00 H new ATOM 0 HB3 ASP A 109 13.541 7.809 -4.702 1.00 0.00 H new ATOM 1632 N ILE A 110 10.378 10.403 -4.623 1.00 0.00 N ATOM 1633 CA ILE A 110 8.981 10.818 -4.600 1.00 0.00 C ATOM 1634 C ILE A 110 8.185 10.043 -5.645 1.00 0.00 C ATOM 1635 O ILE A 110 8.720 9.683 -6.694 1.00 0.00 O ATOM 1636 CB ILE A 110 8.836 12.332 -4.866 1.00 0.00 C ATOM 1637 CG1 ILE A 110 9.332 12.683 -6.273 1.00 0.00 C ATOM 1638 CG2 ILE A 110 9.598 13.131 -3.818 1.00 0.00 C ATOM 1639 CD1 ILE A 110 8.357 13.532 -7.061 1.00 0.00 C ATOM 0 H ILE A 110 10.866 10.630 -5.489 1.00 0.00 H new ATOM 0 HA ILE A 110 8.591 10.604 -3.605 1.00 0.00 H new ATOM 0 HB ILE A 110 7.780 12.593 -4.800 1.00 0.00 H new ATOM 0 HG12 ILE A 110 10.281 13.213 -6.194 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.526 11.762 -6.822 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.486 14.196 -4.020 1.00 0.00 H new ATOM 0 HG22 ILE A 110 9.201 12.905 -2.828 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.654 12.864 -3.854 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.772 13.743 -8.047 1.00 0.00 H new ATOM 0 HD12 ILE A 110 7.414 12.996 -7.171 1.00 0.00 H new ATOM 0 HD13 ILE A 110 8.182 14.469 -6.533 1.00 0.00 H new ATOM 1651 N TYR A 111 6.912 9.776 -5.362 1.00 0.00 N ATOM 1652 CA TYR A 111 6.082 9.030 -6.302 1.00 0.00 C ATOM 1653 C TYR A 111 4.598 9.290 -6.077 1.00 0.00 C ATOM 1654 O TYR A 111 4.196 9.831 -5.046 1.00 0.00 O ATOM 1655 CB TYR A 111 6.368 7.533 -6.179 1.00 0.00 C ATOM 1656 CG TYR A 111 5.981 6.951 -4.838 1.00 0.00 C ATOM 1657 CD1 TYR A 111 6.764 7.172 -3.712 1.00 0.00 C ATOM 1658 CD2 TYR A 111 4.834 6.182 -4.698 1.00 0.00 C ATOM 1659 CE1 TYR A 111 6.413 6.642 -2.485 1.00 0.00 C ATOM 1660 CE2 TYR A 111 4.475 5.650 -3.473 1.00 0.00 C ATOM 1661 CZ TYR A 111 5.268 5.883 -2.371 1.00 0.00 C ATOM 1662 OH TYR A 111 4.915 5.354 -1.151 1.00 0.00 O ATOM 0 H TYR A 111 6.440 10.060 -4.504 1.00 0.00 H new ATOM 0 HA TYR A 111 6.333 9.372 -7.306 1.00 0.00 H new ATOM 0 HB2 TYR A 111 5.830 7.003 -6.965 1.00 0.00 H new ATOM 0 HB3 TYR A 111 7.431 7.360 -6.348 1.00 0.00 H new ATOM 0 HD1 TYR A 111 7.661 7.767 -3.797 1.00 0.00 H new ATOM 0 HD2 TYR A 111 4.211 5.996 -5.561 1.00 0.00 H new ATOM 0 HE1 TYR A 111 7.033 6.822 -1.619 1.00 0.00 H new ATOM 0 HE2 TYR A 111 3.578 5.055 -3.381 1.00 0.00 H new ATOM 0 HH TYR A 111 5.473 4.571 -0.960 1.00 0.00 H new ATOM 1672 N THR A 112 3.789 8.887 -7.052 1.00 0.00 N ATOM 1673 CA THR A 112 2.343 9.061 -6.977 1.00 0.00 C ATOM 1674 C THR A 112 1.628 7.856 -7.578 1.00 0.00 C ATOM 1675 O THR A 112 1.969 7.402 -8.671 1.00 0.00 O ATOM 1676 CB THR A 112 1.921 10.340 -7.704 1.00 0.00 C ATOM 1677 OG1 THR A 112 2.671 11.449 -7.246 1.00 0.00 O ATOM 1678 CG2 THR A 112 0.455 10.671 -7.527 1.00 0.00 C ATOM 0 H THR A 112 4.113 8.435 -7.907 1.00 0.00 H new ATOM 0 HA THR A 112 2.062 9.145 -5.927 1.00 0.00 H new ATOM 0 HB THR A 112 2.109 10.148 -8.760 1.00 0.00 H new ATOM 0 HG1 THR A 112 2.387 12.256 -7.724 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.221 11.589 -8.067 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.152 9.855 -7.919 1.00 0.00 H new ATOM 0 HG23 THR A 112 0.238 10.808 -6.468 1.00 0.00 H new ATOM 1686 N ARG A 113 0.637 7.339 -6.857 1.00 0.00 N ATOM 1687 CA ARG A 113 -0.120 6.181 -7.320 1.00 0.00 C ATOM 1688 C ARG A 113 -1.545 6.571 -7.704 1.00 0.00 C ATOM 1689 O ARG A 113 -2.252 7.215 -6.927 1.00 0.00 O ATOM 1690 CB ARG A 113 -0.149 5.099 -6.239 1.00 0.00 C ATOM 1691 CG ARG A 113 1.183 4.391 -6.051 1.00 0.00 C ATOM 1692 CD ARG A 113 1.331 3.850 -4.638 1.00 0.00 C ATOM 1693 NE ARG A 113 2.598 3.145 -4.452 1.00 0.00 N ATOM 1694 CZ ARG A 113 2.832 2.294 -3.456 1.00 0.00 C ATOM 1695 NH1 ARG A 113 1.892 2.040 -2.555 1.00 0.00 N ATOM 1696 NH2 ARG A 113 4.011 1.694 -3.362 1.00 0.00 N ATOM 0 H ARG A 113 0.340 7.703 -5.952 1.00 0.00 H new ATOM 0 HA ARG A 113 0.378 5.788 -8.207 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -0.448 5.550 -5.293 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.910 4.362 -6.495 1.00 0.00 H new ATOM 0 HG2 ARG A 113 1.265 3.572 -6.766 1.00 0.00 H new ATOM 0 HG3 ARG A 113 1.998 5.083 -6.264 1.00 0.00 H new ATOM 0 HD2 ARG A 113 1.266 4.673 -3.926 1.00 0.00 H new ATOM 0 HD3 ARG A 113 0.504 3.174 -4.420 1.00 0.00 H new ATOM 0 HE ARG A 113 3.346 3.315 -5.124 1.00 0.00 H new ATOM 0 HH11 ARG A 113 0.983 2.498 -2.623 1.00 0.00 H new ATOM 0 HH12 ARG A 113 2.078 1.387 -1.794 1.00 0.00 H new ATOM 0 HH21 ARG A 113 4.737 1.885 -4.053 1.00 0.00 H new ATOM 0 HH22 ARG A 113 4.192 1.042 -2.599 1.00 0.00 H new ATOM 1710 N LEU A 114 -1.958 6.173 -8.904 1.00 0.00 N ATOM 1711 CA LEU A 114 -3.298 6.476 -9.397 1.00 0.00 C ATOM 1712 C LEU A 114 -3.949 5.230 -9.992 1.00 0.00 C ATOM 1713 O LEU A 114 -3.382 4.584 -10.875 1.00 0.00 O ATOM 1714 CB LEU A 114 -3.238 7.589 -10.447 1.00 0.00 C ATOM 1715 CG LEU A 114 -4.577 7.938 -11.105 1.00 0.00 C ATOM 1716 CD1 LEU A 114 -4.676 9.437 -11.358 1.00 0.00 C ATOM 1717 CD2 LEU A 114 -4.750 7.169 -12.405 1.00 0.00 C ATOM 0 H LEU A 114 -1.382 5.638 -9.554 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.903 6.815 -8.556 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.837 8.488 -9.978 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.535 7.294 -11.226 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.377 7.650 -10.424 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -5.634 9.665 -11.826 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -4.598 9.972 -10.411 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.867 9.749 -12.018 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.707 7.430 -12.858 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.942 7.426 -13.090 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.725 6.099 -12.201 1.00 0.00 H new ATOM 1729 N GLY A 115 -5.139 4.895 -9.500 1.00 0.00 N ATOM 1730 CA GLY A 115 -5.843 3.727 -9.997 1.00 0.00 C ATOM 1731 C GLY A 115 -7.177 3.519 -9.310 1.00 0.00 C ATOM 1732 O GLY A 115 -7.939 4.468 -9.119 1.00 0.00 O ATOM 0 H GLY A 115 -5.627 5.411 -8.768 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -6.003 3.832 -11.070 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -5.222 2.843 -9.852 1.00 0.00 H new ATOM 1736 N GLY A 116 -7.465 2.276 -8.935 1.00 0.00 N ATOM 1737 CA GLY A 116 -8.720 1.980 -8.271 1.00 0.00 C ATOM 1738 C GLY A 116 -8.629 0.777 -7.352 1.00 0.00 C ATOM 1739 O GLY A 116 -7.641 0.043 -7.374 1.00 0.00 O ATOM 0 H GLY A 116 -6.854 1.472 -9.079 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -9.034 2.850 -7.694 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -9.490 1.801 -9.022 1.00 0.00 H new ATOM 1743 N MET A 117 -9.663 0.579 -6.542 1.00 0.00 N ATOM 1744 CA MET A 117 -9.699 -0.540 -5.608 1.00 0.00 C ATOM 1745 C MET A 117 -10.993 -1.334 -5.756 1.00 0.00 C ATOM 1746 O MET A 117 -12.068 -0.761 -5.952 1.00 0.00 O ATOM 1747 CB MET A 117 -9.559 -0.036 -4.172 1.00 0.00 C ATOM 1748 CG MET A 117 -10.702 0.862 -3.727 1.00 0.00 C ATOM 1749 SD MET A 117 -10.897 0.900 -1.934 1.00 0.00 S ATOM 1750 CE MET A 117 -9.238 1.336 -1.422 1.00 0.00 C ATOM 0 H MET A 117 -10.487 1.179 -6.513 1.00 0.00 H new ATOM 0 HA MET A 117 -8.862 -1.199 -5.839 1.00 0.00 H new ATOM 0 HB2 MET A 117 -9.498 -0.892 -3.500 1.00 0.00 H new ATOM 0 HB3 MET A 117 -8.621 0.511 -4.078 1.00 0.00 H new ATOM 0 HG2 MET A 117 -10.527 1.874 -4.091 1.00 0.00 H new ATOM 0 HG3 MET A 117 -11.630 0.516 -4.182 1.00 0.00 H new ATOM 0 HE1 MET A 117 -9.287 2.017 -0.573 1.00 0.00 H new ATOM 0 HE2 MET A 117 -8.697 0.434 -1.134 1.00 0.00 H new ATOM 0 HE3 MET A 117 -8.718 1.822 -2.248 1.00 0.00 H new ATOM 1760 N VAL A 118 -10.883 -2.655 -5.657 1.00 0.00 N ATOM 1761 CA VAL A 118 -12.041 -3.534 -5.774 1.00 0.00 C ATOM 1762 C VAL A 118 -12.080 -4.532 -4.620 1.00 0.00 C ATOM 1763 O VAL A 118 -11.230 -5.417 -4.525 1.00 0.00 O ATOM 1764 CB VAL A 118 -12.038 -4.312 -7.108 1.00 0.00 C ATOM 1765 CG1 VAL A 118 -13.448 -4.754 -7.468 1.00 0.00 C ATOM 1766 CG2 VAL A 118 -11.434 -3.476 -8.229 1.00 0.00 C ATOM 0 H VAL A 118 -10.001 -3.141 -5.496 1.00 0.00 H new ATOM 0 HA VAL A 118 -12.925 -2.897 -5.742 1.00 0.00 H new ATOM 0 HB VAL A 118 -11.418 -5.199 -6.981 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -13.428 -5.301 -8.411 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -13.839 -5.400 -6.682 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -14.089 -3.878 -7.570 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -11.445 -4.049 -9.156 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -12.018 -2.565 -8.358 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -10.406 -3.215 -7.975 1.00 0.00 H new ATOM 1776 N TRP A 119 -13.068 -4.382 -3.744 1.00 0.00 N ATOM 1777 CA TRP A 119 -13.211 -5.271 -2.595 1.00 0.00 C ATOM 1778 C TRP A 119 -14.624 -5.837 -2.513 1.00 0.00 C ATOM 1779 O TRP A 119 -15.496 -5.479 -3.305 1.00 0.00 O ATOM 1780 CB TRP A 119 -12.870 -4.526 -1.305 1.00 0.00 C ATOM 1781 CG TRP A 119 -13.762 -3.352 -1.042 1.00 0.00 C ATOM 1782 CD1 TRP A 119 -13.852 -2.208 -1.782 1.00 0.00 C ATOM 1783 CD2 TRP A 119 -14.691 -3.204 0.039 1.00 0.00 C ATOM 1784 NE1 TRP A 119 -14.779 -1.359 -1.228 1.00 0.00 N ATOM 1785 CE2 TRP A 119 -15.308 -1.948 -0.110 1.00 0.00 C ATOM 1786 CE3 TRP A 119 -15.061 -4.013 1.116 1.00 0.00 C ATOM 1787 CZ2 TRP A 119 -16.275 -1.482 0.779 1.00 0.00 C ATOM 1788 CZ3 TRP A 119 -16.022 -3.551 1.999 1.00 0.00 C ATOM 1789 CH2 TRP A 119 -16.617 -2.295 1.824 1.00 0.00 C ATOM 0 H TRP A 119 -13.781 -3.655 -3.807 1.00 0.00 H new ATOM 0 HA TRP A 119 -12.517 -6.102 -2.722 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -12.937 -5.219 -0.466 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -11.836 -4.184 -1.354 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -13.278 -2.001 -2.673 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -15.032 -0.440 -1.590 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -14.605 -4.982 1.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -16.737 -0.515 0.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -16.317 -4.168 2.835 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -17.363 -1.961 2.530 1.00 0.00 H new ATOM 2091 N VAL A 141 -16.357 -1.190 -5.149 1.00 0.00 N ATOM 2092 CA VAL A 141 -15.353 -0.744 -6.110 1.00 0.00 C ATOM 2093 C VAL A 141 -15.330 0.777 -6.212 1.00 0.00 C ATOM 2094 O VAL A 141 -16.367 1.410 -6.414 1.00 0.00 O ATOM 2095 CB VAL A 141 -15.611 -1.344 -7.507 1.00 0.00 C ATOM 2096 CG1 VAL A 141 -16.956 -0.885 -8.049 1.00 0.00 C ATOM 2097 CG2 VAL A 141 -14.487 -0.977 -8.466 1.00 0.00 C ATOM 0 HA VAL A 141 -14.386 -1.093 -5.748 1.00 0.00 H new ATOM 0 HB VAL A 141 -15.636 -2.430 -7.413 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -17.118 -1.320 -9.035 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -17.749 -1.208 -7.375 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -16.966 0.202 -8.126 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -14.689 -1.410 -9.446 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -14.424 0.108 -8.555 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -13.542 -1.365 -8.085 1.00 0.00 H new ATOM 2107 N SER A 142 -14.144 1.362 -6.070 1.00 0.00 N ATOM 2108 CA SER A 142 -13.999 2.813 -6.145 1.00 0.00 C ATOM 2109 C SER A 142 -12.571 3.208 -6.513 1.00 0.00 C ATOM 2110 O SER A 142 -11.614 2.527 -6.145 1.00 0.00 O ATOM 2111 CB SER A 142 -14.389 3.452 -4.811 1.00 0.00 C ATOM 2112 OG SER A 142 -14.158 2.564 -3.732 1.00 0.00 O ATOM 0 H SER A 142 -13.274 0.857 -5.903 1.00 0.00 H new ATOM 0 HA SER A 142 -14.665 3.177 -6.927 1.00 0.00 H new ATOM 0 HB2 SER A 142 -13.816 4.367 -4.662 1.00 0.00 H new ATOM 0 HB3 SER A 142 -15.441 3.735 -4.834 1.00 0.00 H new ATOM 0 HG SER A 142 -14.414 2.997 -2.891 1.00 0.00 H new ATOM 2118 N PRO A 143 -12.408 4.324 -7.248 1.00 0.00 N ATOM 2119 CA PRO A 143 -11.092 4.814 -7.663 1.00 0.00 C ATOM 2120 C PRO A 143 -10.361 5.533 -6.532 1.00 0.00 C ATOM 2121 O PRO A 143 -10.991 6.106 -5.644 1.00 0.00 O ATOM 2122 CB PRO A 143 -11.430 5.790 -8.788 1.00 0.00 C ATOM 2123 CG PRO A 143 -12.775 6.319 -8.432 1.00 0.00 C ATOM 2124 CD PRO A 143 -13.497 5.199 -7.728 1.00 0.00 C ATOM 0 HA PRO A 143 -10.424 4.006 -7.963 1.00 0.00 H new ATOM 0 HB2 PRO A 143 -10.693 6.591 -8.853 1.00 0.00 H new ATOM 0 HB3 PRO A 143 -11.444 5.290 -9.756 1.00 0.00 H new ATOM 0 HG2 PRO A 143 -12.691 7.193 -7.787 1.00 0.00 H new ATOM 0 HG3 PRO A 143 -13.318 6.632 -9.324 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -14.104 5.571 -6.903 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -14.168 4.669 -8.404 1.00 0.00 H new ATOM 2132 N VAL A 144 -9.032 5.504 -6.573 1.00 0.00 N ATOM 2133 CA VAL A 144 -8.227 6.159 -5.547 1.00 0.00 C ATOM 2134 C VAL A 144 -6.835 6.499 -6.066 1.00 0.00 C ATOM 2135 O VAL A 144 -6.347 5.888 -7.018 1.00 0.00 O ATOM 2136 CB VAL A 144 -8.091 5.283 -4.288 1.00 0.00 C ATOM 2137 CG1 VAL A 144 -9.449 5.055 -3.641 1.00 0.00 C ATOM 2138 CG2 VAL A 144 -7.425 3.956 -4.626 1.00 0.00 C ATOM 0 H VAL A 144 -8.492 5.037 -7.301 1.00 0.00 H new ATOM 0 HA VAL A 144 -8.748 7.080 -5.285 1.00 0.00 H new ATOM 0 HB VAL A 144 -7.459 5.809 -3.573 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -9.329 4.434 -2.753 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -9.882 6.014 -3.357 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -10.110 4.554 -4.348 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -7.338 3.352 -3.723 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -8.027 3.424 -5.362 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -6.432 4.141 -5.035 1.00 0.00 H new ATOM 2148 N PHE A 145 -6.197 7.475 -5.428 1.00 0.00 N ATOM 2149 CA PHE A 145 -4.858 7.899 -5.816 1.00 0.00 C ATOM 2150 C PHE A 145 -4.081 8.403 -4.603 1.00 0.00 C ATOM 2151 O PHE A 145 -4.527 9.313 -3.904 1.00 0.00 O ATOM 2152 CB PHE A 145 -4.935 8.998 -6.878 1.00 0.00 C ATOM 2153 CG PHE A 145 -5.723 10.200 -6.443 1.00 0.00 C ATOM 2154 CD1 PHE A 145 -7.108 10.189 -6.488 1.00 0.00 C ATOM 2155 CD2 PHE A 145 -5.080 11.339 -5.988 1.00 0.00 C ATOM 2156 CE1 PHE A 145 -7.836 11.293 -6.086 1.00 0.00 C ATOM 2157 CE2 PHE A 145 -5.803 12.446 -5.586 1.00 0.00 C ATOM 2158 CZ PHE A 145 -7.183 12.422 -5.636 1.00 0.00 C ATOM 0 H PHE A 145 -6.588 7.988 -4.638 1.00 0.00 H new ATOM 0 HA PHE A 145 -4.335 7.038 -6.233 1.00 0.00 H new ATOM 0 HB2 PHE A 145 -3.924 9.311 -7.138 1.00 0.00 H new ATOM 0 HB3 PHE A 145 -5.384 8.587 -7.782 1.00 0.00 H new ATOM 0 HD1 PHE A 145 -7.624 9.308 -6.841 1.00 0.00 H new ATOM 0 HD2 PHE A 145 -4.001 11.362 -5.947 1.00 0.00 H new ATOM 0 HE1 PHE A 145 -8.915 11.272 -6.124 1.00 0.00 H new ATOM 0 HE2 PHE A 145 -5.290 13.328 -5.233 1.00 0.00 H new ATOM 0 HZ PHE A 145 -7.750 13.286 -5.323 1.00 0.00 H new ATOM 2168 N ALA A 146 -2.920 7.805 -4.357 1.00 0.00 N ATOM 2169 CA ALA A 146 -2.087 8.195 -3.225 1.00 0.00 C ATOM 2170 C ALA A 146 -0.733 8.715 -3.692 1.00 0.00 C ATOM 2171 O ALA A 146 -0.012 8.031 -4.416 1.00 0.00 O ATOM 2172 CB ALA A 146 -1.905 7.020 -2.275 1.00 0.00 C ATOM 0 H ALA A 146 -2.535 7.050 -4.925 1.00 0.00 H new ATOM 0 HA ALA A 146 -2.592 9.002 -2.695 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -1.281 7.325 -1.435 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -2.878 6.696 -1.906 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -1.425 6.196 -2.803 1.00 0.00 H new ATOM 2178 N GLY A 147 -0.392 9.929 -3.269 1.00 0.00 N ATOM 2179 CA GLY A 147 0.878 10.517 -3.654 1.00 0.00 C ATOM 2180 C GLY A 147 1.693 10.961 -2.456 1.00 0.00 C ATOM 2181 O GLY A 147 1.156 11.545 -1.515 1.00 0.00 O ATOM 0 H GLY A 147 -0.971 10.515 -2.668 1.00 0.00 H new ATOM 0 HA2 GLY A 147 1.451 9.792 -4.232 1.00 0.00 H new ATOM 0 HA3 GLY A 147 0.697 11.372 -4.305 1.00 0.00 H new ATOM 2185 N GLY A 148 2.993 10.685 -2.489 1.00 0.00 N ATOM 2186 CA GLY A 148 3.853 11.069 -1.388 1.00 0.00 C ATOM 2187 C GLY A 148 5.326 10.875 -1.689 1.00 0.00 C ATOM 2188 O GLY A 148 5.753 10.961 -2.844 1.00 0.00 O ATOM 0 H GLY A 148 3.463 10.204 -3.256 1.00 0.00 H new ATOM 0 HA2 GLY A 148 3.673 12.116 -1.142 1.00 0.00 H new ATOM 0 HA3 GLY A 148 3.588 10.485 -0.507 1.00 0.00 H new ATOM 2192 N VAL A 149 6.107 10.614 -0.643 1.00 0.00 N ATOM 2193 CA VAL A 149 7.546 10.412 -0.794 1.00 0.00 C ATOM 2194 C VAL A 149 8.010 9.153 -0.067 1.00 0.00 C ATOM 2195 O VAL A 149 7.264 8.567 0.720 1.00 0.00 O ATOM 2196 CB VAL A 149 8.342 11.621 -0.265 1.00 0.00 C ATOM 2197 CG1 VAL A 149 8.215 12.809 -1.211 1.00 0.00 C ATOM 2198 CG2 VAL A 149 7.877 11.992 1.136 1.00 0.00 C ATOM 0 H VAL A 149 5.769 10.538 0.316 1.00 0.00 H new ATOM 0 HA VAL A 149 7.736 10.299 -1.861 1.00 0.00 H new ATOM 0 HB VAL A 149 9.395 11.343 -0.214 1.00 0.00 H new ATOM 0 HG11 VAL A 149 8.785 13.650 -0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 149 8.603 12.536 -2.192 1.00 0.00 H new ATOM 0 HG13 VAL A 149 7.166 13.092 -1.301 1.00 0.00 H new ATOM 0 HG21 VAL A 149 8.449 12.848 1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 149 6.818 12.248 1.112 1.00 0.00 H new ATOM 0 HG23 VAL A 149 8.030 11.146 1.806 1.00 0.00 H new ATOM 2208 N GLU A 150 9.247 8.741 -0.337 1.00 0.00 N ATOM 2209 CA GLU A 150 9.811 7.550 0.290 1.00 0.00 C ATOM 2210 C GLU A 150 11.234 7.808 0.780 1.00 0.00 C ATOM 2211 O GLU A 150 12.042 8.421 0.082 1.00 0.00 O ATOM 2212 CB GLU A 150 9.804 6.380 -0.697 1.00 0.00 C ATOM 2213 CG GLU A 150 10.404 5.101 -0.133 1.00 0.00 C ATOM 2214 CD GLU A 150 9.698 3.855 -0.634 1.00 0.00 C ATOM 2215 OE1 GLU A 150 8.499 3.946 -0.969 1.00 0.00 O ATOM 2216 OE2 GLU A 150 10.346 2.789 -0.693 1.00 0.00 O ATOM 0 H GLU A 150 9.876 9.214 -0.985 1.00 0.00 H new ATOM 0 HA GLU A 150 9.193 7.298 1.151 1.00 0.00 H new ATOM 0 HB2 GLU A 150 8.778 6.184 -1.007 1.00 0.00 H new ATOM 0 HB3 GLU A 150 10.357 6.667 -1.591 1.00 0.00 H new ATOM 0 HG2 GLU A 150 11.459 5.049 -0.402 1.00 0.00 H new ATOM 0 HG3 GLU A 150 10.354 5.130 0.955 1.00 0.00 H new ATOM 2223 N TRP A 151 11.531 7.331 1.985 1.00 0.00 N ATOM 2224 CA TRP A 151 12.854 7.500 2.578 1.00 0.00 C ATOM 2225 C TRP A 151 13.499 6.147 2.858 1.00 0.00 C ATOM 2226 O TRP A 151 12.890 5.277 3.480 1.00 0.00 O ATOM 2227 CB TRP A 151 12.753 8.309 3.874 1.00 0.00 C ATOM 2228 CG TRP A 151 13.942 9.187 4.123 1.00 0.00 C ATOM 2229 CD1 TRP A 151 14.164 10.432 3.610 1.00 0.00 C ATOM 2230 CD2 TRP A 151 15.073 8.884 4.949 1.00 0.00 C ATOM 2231 NE1 TRP A 151 15.363 10.924 4.066 1.00 0.00 N ATOM 2232 CE2 TRP A 151 15.941 9.992 4.891 1.00 0.00 C ATOM 2233 CE3 TRP A 151 15.436 7.786 5.734 1.00 0.00 C ATOM 2234 CZ2 TRP A 151 17.147 10.032 5.585 1.00 0.00 C ATOM 2235 CZ3 TRP A 151 16.634 7.827 6.423 1.00 0.00 C ATOM 2236 CH2 TRP A 151 17.476 8.943 6.345 1.00 0.00 C ATOM 0 H TRP A 151 10.870 6.822 2.572 1.00 0.00 H new ATOM 0 HA TRP A 151 13.480 8.041 1.868 1.00 0.00 H new ATOM 0 HB2 TRP A 151 11.856 8.927 3.839 1.00 0.00 H new ATOM 0 HB3 TRP A 151 12.635 7.623 4.713 1.00 0.00 H new ATOM 0 HD1 TRP A 151 13.495 10.954 2.943 1.00 0.00 H new ATOM 0 HE1 TRP A 151 15.759 11.834 3.830 1.00 0.00 H new ATOM 0 HE3 TRP A 151 14.792 6.921 5.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 151 17.799 10.891 5.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 151 16.925 6.984 7.032 1.00 0.00 H new ATOM 0 HH2 TRP A 151 18.405 8.944 6.896 1.00 0.00 H new ATOM 2247 N ALA A 152 14.732 5.971 2.390 1.00 0.00 N ATOM 2248 CA ALA A 152 15.452 4.719 2.587 1.00 0.00 C ATOM 2249 C ALA A 152 16.351 4.780 3.818 1.00 0.00 C ATOM 2250 O ALA A 152 17.107 5.733 4.002 1.00 0.00 O ATOM 2251 CB ALA A 152 16.274 4.384 1.352 1.00 0.00 C ATOM 0 H ALA A 152 15.252 6.680 1.872 1.00 0.00 H new ATOM 0 HA ALA A 152 14.715 3.932 2.750 1.00 0.00 H new ATOM 0 HB1 ALA A 152 16.807 3.447 1.513 1.00 0.00 H new ATOM 0 HB2 ALA A 152 15.613 4.283 0.491 1.00 0.00 H new ATOM 0 HB3 ALA A 152 16.992 5.182 1.166 1.00 0.00 H new ATOM 2257 N VAL A 153 16.264 3.751 4.658 1.00 0.00 N ATOM 2258 CA VAL A 153 17.071 3.679 5.871 1.00 0.00 C ATOM 2259 C VAL A 153 18.032 2.496 5.823 1.00 0.00 C ATOM 2260 O VAL A 153 19.246 2.672 5.722 1.00 0.00 O ATOM 2261 CB VAL A 153 16.185 3.561 7.128 1.00 0.00 C ATOM 2262 CG1 VAL A 153 17.039 3.529 8.388 1.00 0.00 C ATOM 2263 CG2 VAL A 153 15.182 4.703 7.184 1.00 0.00 C ATOM 0 H VAL A 153 15.641 2.955 4.519 1.00 0.00 H new ATOM 0 HA VAL A 153 17.644 4.604 5.926 1.00 0.00 H new ATOM 0 HB VAL A 153 15.632 2.624 7.071 1.00 0.00 H new ATOM 0 HG11 VAL A 153 16.394 3.446 9.263 1.00 0.00 H new ATOM 0 HG12 VAL A 153 17.712 2.672 8.350 1.00 0.00 H new ATOM 0 HG13 VAL A 153 17.624 4.446 8.455 1.00 0.00 H new ATOM 0 HG21 VAL A 153 14.566 4.603 8.078 1.00 0.00 H new ATOM 0 HG22 VAL A 153 15.714 5.654 7.215 1.00 0.00 H new ATOM 0 HG23 VAL A 153 14.546 4.672 6.299 1.00 0.00 H new ATOM 2323 N ILE A 157 15.239 -1.963 3.179 1.00 0.00 N ATOM 2324 CA ILE A 157 14.027 -1.577 3.893 1.00 0.00 C ATOM 2325 C ILE A 157 13.899 -0.060 3.975 1.00 0.00 C ATOM 2326 O ILE A 157 14.804 0.624 4.455 1.00 0.00 O ATOM 2327 CB ILE A 157 14.004 -2.161 5.319 1.00 0.00 C ATOM 2328 CG1 ILE A 157 14.342 -3.654 5.288 1.00 0.00 C ATOM 2329 CG2 ILE A 157 12.645 -1.932 5.964 1.00 0.00 C ATOM 2330 CD1 ILE A 157 14.364 -4.298 6.658 1.00 0.00 C ATOM 0 HA ILE A 157 13.186 -1.981 3.330 1.00 0.00 H new ATOM 0 HB ILE A 157 14.758 -1.650 5.917 1.00 0.00 H new ATOM 0 HG12 ILE A 157 13.612 -4.170 4.664 1.00 0.00 H new ATOM 0 HG13 ILE A 157 15.316 -3.788 4.817 1.00 0.00 H new ATOM 0 HG21 ILE A 157 12.645 -2.350 6.971 1.00 0.00 H new ATOM 0 HG22 ILE A 157 12.442 -0.862 6.015 1.00 0.00 H new ATOM 0 HG23 ILE A 157 11.873 -2.419 5.369 1.00 0.00 H new ATOM 0 HD11 ILE A 157 14.610 -5.355 6.559 1.00 0.00 H new ATOM 0 HD12 ILE A 157 15.114 -3.807 7.279 1.00 0.00 H new ATOM 0 HD13 ILE A 157 13.384 -4.196 7.124 1.00 0.00 H new ATOM 2342 N ALA A 158 12.773 0.462 3.499 1.00 0.00 N ATOM 2343 CA ALA A 158 12.530 1.899 3.514 1.00 0.00 C ATOM 2344 C ALA A 158 11.105 2.219 3.955 1.00 0.00 C ATOM 2345 O ALA A 158 10.227 1.356 3.934 1.00 0.00 O ATOM 2346 CB ALA A 158 12.799 2.488 2.137 1.00 0.00 C ATOM 0 H ALA A 158 12.014 -0.090 3.098 1.00 0.00 H new ATOM 0 HA ALA A 158 13.211 2.348 4.237 1.00 0.00 H new ATOM 0 HB1 ALA A 158 12.615 3.562 2.158 1.00 0.00 H new ATOM 0 HB2 ALA A 158 13.837 2.303 1.859 1.00 0.00 H new ATOM 0 HB3 ALA A 158 12.139 2.021 1.406 1.00 0.00 H new ATOM 2352 N THR A 159 10.883 3.472 4.343 1.00 0.00 N ATOM 2353 CA THR A 159 9.567 3.921 4.780 1.00 0.00 C ATOM 2354 C THR A 159 8.963 4.864 3.747 1.00 0.00 C ATOM 2355 O THR A 159 9.688 5.556 3.032 1.00 0.00 O ATOM 2356 CB THR A 159 9.666 4.623 6.136 1.00 0.00 C ATOM 2357 OG1 THR A 159 10.639 3.998 6.953 1.00 0.00 O ATOM 2358 CG2 THR A 159 8.361 4.632 6.902 1.00 0.00 C ATOM 0 H THR A 159 11.601 4.196 4.363 1.00 0.00 H new ATOM 0 HA THR A 159 8.920 3.050 4.884 1.00 0.00 H new ATOM 0 HB THR A 159 9.942 5.653 5.909 1.00 0.00 H new ATOM 0 HG1 THR A 159 10.689 4.462 7.815 1.00 0.00 H new ATOM 0 HG21 THR A 159 8.501 5.145 7.854 1.00 0.00 H new ATOM 0 HG22 THR A 159 7.600 5.151 6.319 1.00 0.00 H new ATOM 0 HG23 THR A 159 8.040 3.607 7.086 1.00 0.00 H new ATOM 2366 N ARG A 160 7.639 4.884 3.659 1.00 0.00 N ATOM 2367 CA ARG A 160 6.963 5.741 2.695 1.00 0.00 C ATOM 2368 C ARG A 160 5.749 6.435 3.305 1.00 0.00 C ATOM 2369 O ARG A 160 4.950 5.816 4.010 1.00 0.00 O ATOM 2370 CB ARG A 160 6.532 4.926 1.474 1.00 0.00 C ATOM 2371 CG ARG A 160 5.871 3.602 1.827 1.00 0.00 C ATOM 2372 CD ARG A 160 4.387 3.609 1.496 1.00 0.00 C ATOM 2373 NE ARG A 160 3.794 2.278 1.609 1.00 0.00 N ATOM 2374 CZ ARG A 160 4.055 1.277 0.770 1.00 0.00 C ATOM 2375 NH1 ARG A 160 4.894 1.453 -0.244 1.00 0.00 N ATOM 2376 NH2 ARG A 160 3.474 0.098 0.944 1.00 0.00 N ATOM 0 H ARG A 160 7.017 4.321 4.239 1.00 0.00 H new ATOM 0 HA ARG A 160 7.672 6.511 2.390 1.00 0.00 H new ATOM 0 HB2 ARG A 160 5.840 5.520 0.877 1.00 0.00 H new ATOM 0 HB3 ARG A 160 7.405 4.732 0.851 1.00 0.00 H new ATOM 0 HG2 ARG A 160 6.361 2.794 1.284 1.00 0.00 H new ATOM 0 HG3 ARG A 160 6.006 3.400 2.889 1.00 0.00 H new ATOM 0 HD2 ARG A 160 3.869 4.295 2.167 1.00 0.00 H new ATOM 0 HD3 ARG A 160 4.243 3.985 0.483 1.00 0.00 H new ATOM 0 HE ARG A 160 3.143 2.106 2.375 1.00 0.00 H new ATOM 0 HH11 ARG A 160 5.342 2.358 -0.384 1.00 0.00 H new ATOM 0 HH12 ARG A 160 5.090 0.683 -0.883 1.00 0.00 H new ATOM 0 HH21 ARG A 160 2.827 -0.042 1.720 1.00 0.00 H new ATOM 0 HH22 ARG A 160 3.674 -0.669 0.302 1.00 0.00 H new ATOM 2390 N LEU A 161 5.611 7.722 3.002 1.00 0.00 N ATOM 2391 CA LEU A 161 4.488 8.514 3.488 1.00 0.00 C ATOM 2392 C LEU A 161 3.687 9.041 2.304 1.00 0.00 C ATOM 2393 O LEU A 161 4.227 9.743 1.443 1.00 0.00 O ATOM 2394 CB LEU A 161 4.978 9.677 4.354 1.00 0.00 C ATOM 2395 CG LEU A 161 4.048 10.058 5.512 1.00 0.00 C ATOM 2396 CD1 LEU A 161 4.677 11.149 6.367 1.00 0.00 C ATOM 2397 CD2 LEU A 161 2.690 10.504 4.983 1.00 0.00 C ATOM 0 H LEU A 161 6.268 8.241 2.419 1.00 0.00 H new ATOM 0 HA LEU A 161 3.850 7.879 4.103 1.00 0.00 H new ATOM 0 HB2 LEU A 161 5.955 9.420 4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 161 5.118 10.551 3.717 1.00 0.00 H new ATOM 0 HG LEU A 161 3.899 9.178 6.137 1.00 0.00 H new ATOM 0 HD11 LEU A 161 4.002 11.406 7.183 1.00 0.00 H new ATOM 0 HD12 LEU A 161 5.622 10.791 6.776 1.00 0.00 H new ATOM 0 HD13 LEU A 161 4.858 12.032 5.754 1.00 0.00 H new ATOM 0 HD21 LEU A 161 2.043 10.770 5.819 1.00 0.00 H new ATOM 0 HD22 LEU A 161 2.819 11.370 4.334 1.00 0.00 H new ATOM 0 HD23 LEU A 161 2.235 9.691 4.417 1.00 0.00 H new ATOM 2409 N GLU A 162 2.406 8.680 2.250 1.00 0.00 N ATOM 2410 CA GLU A 162 1.546 9.102 1.150 1.00 0.00 C ATOM 2411 C GLU A 162 0.395 9.976 1.634 1.00 0.00 C ATOM 2412 O GLU A 162 -0.144 9.773 2.722 1.00 0.00 O ATOM 2413 CB GLU A 162 0.991 7.880 0.417 1.00 0.00 C ATOM 2414 CG GLU A 162 2.032 6.804 0.152 1.00 0.00 C ATOM 2415 CD GLU A 162 1.714 5.975 -1.078 1.00 0.00 C ATOM 2416 OE1 GLU A 162 1.496 6.570 -2.154 1.00 0.00 O ATOM 2417 OE2 GLU A 162 1.683 4.733 -0.962 1.00 0.00 O ATOM 0 H GLU A 162 1.945 8.100 2.951 1.00 0.00 H new ATOM 0 HA GLU A 162 2.155 9.695 0.468 1.00 0.00 H new ATOM 0 HB2 GLU A 162 0.180 7.452 1.005 1.00 0.00 H new ATOM 0 HB3 GLU A 162 0.562 8.200 -0.532 1.00 0.00 H new ATOM 0 HG2 GLU A 162 3.009 7.271 0.028 1.00 0.00 H new ATOM 0 HG3 GLU A 162 2.100 6.148 1.020 1.00 0.00 H new ATOM 2424 N TYR A 163 0.020 10.946 0.804 1.00 0.00 N ATOM 2425 CA TYR A 163 -1.074 11.854 1.124 1.00 0.00 C ATOM 2426 C TYR A 163 -2.000 12.008 -0.079 1.00 0.00 C ATOM 2427 O TYR A 163 -1.652 11.624 -1.197 1.00 0.00 O ATOM 2428 CB TYR A 163 -0.545 13.230 1.557 1.00 0.00 C ATOM 2429 CG TYR A 163 0.965 13.325 1.621 1.00 0.00 C ATOM 2430 CD1 TYR A 163 1.664 12.851 2.724 1.00 0.00 C ATOM 2431 CD2 TYR A 163 1.689 13.892 0.580 1.00 0.00 C ATOM 2432 CE1 TYR A 163 3.043 12.940 2.786 1.00 0.00 C ATOM 2433 CE2 TYR A 163 3.066 13.984 0.635 1.00 0.00 C ATOM 2434 CZ TYR A 163 3.739 13.507 1.740 1.00 0.00 C ATOM 2435 OH TYR A 163 5.110 13.597 1.799 1.00 0.00 O ATOM 0 H TYR A 163 0.461 11.122 -0.099 1.00 0.00 H new ATOM 0 HA TYR A 163 -1.633 11.426 1.956 1.00 0.00 H new ATOM 0 HB2 TYR A 163 -0.916 13.984 0.862 1.00 0.00 H new ATOM 0 HB3 TYR A 163 -0.955 13.472 2.538 1.00 0.00 H new ATOM 0 HD1 TYR A 163 1.122 12.406 3.546 1.00 0.00 H new ATOM 0 HD2 TYR A 163 1.166 14.267 -0.287 1.00 0.00 H new ATOM 0 HE1 TYR A 163 3.572 12.567 3.650 1.00 0.00 H new ATOM 0 HE2 TYR A 163 3.613 14.428 -0.184 1.00 0.00 H new ATOM 0 HH TYR A 163 5.457 13.886 0.929 1.00 0.00 H new ATOM 2445 N GLN A 164 -3.181 12.571 0.155 1.00 0.00 N ATOM 2446 CA GLN A 164 -4.155 12.773 -0.913 1.00 0.00 C ATOM 2447 C GLN A 164 -4.347 14.259 -1.202 1.00 0.00 C ATOM 2448 O GLN A 164 -4.605 14.650 -2.340 1.00 0.00 O ATOM 2449 CB GLN A 164 -5.493 12.136 -0.538 1.00 0.00 C ATOM 2450 CG GLN A 164 -6.351 11.773 -1.740 1.00 0.00 C ATOM 2451 CD GLN A 164 -7.564 12.673 -1.884 1.00 0.00 C ATOM 2452 OE1 GLN A 164 -7.436 13.872 -2.131 1.00 0.00 O ATOM 2453 NE2 GLN A 164 -8.749 12.095 -1.729 1.00 0.00 N ATOM 0 H GLN A 164 -3.487 12.895 1.073 1.00 0.00 H new ATOM 0 HA GLN A 164 -3.773 12.294 -1.814 1.00 0.00 H new ATOM 0 HB2 GLN A 164 -5.306 11.237 0.050 1.00 0.00 H new ATOM 0 HB3 GLN A 164 -6.048 12.824 0.100 1.00 0.00 H new ATOM 0 HG2 GLN A 164 -5.747 11.836 -2.645 1.00 0.00 H new ATOM 0 HG3 GLN A 164 -6.680 10.738 -1.648 1.00 0.00 H new ATOM 0 HE21 GLN A 164 -8.807 11.097 -1.525 1.00 0.00 H new ATOM 0 HE22 GLN A 164 -9.601 12.649 -1.814 1.00 0.00 H new ATOM 2724 N LEU A 184 -4.055 10.882 4.516 1.00 0.00 N ATOM 2725 CA LEU A 184 -2.638 10.540 4.586 1.00 0.00 C ATOM 2726 C LEU A 184 -2.446 9.178 5.247 1.00 0.00 C ATOM 2727 O LEU A 184 -3.307 8.714 5.994 1.00 0.00 O ATOM 2728 CB LEU A 184 -1.870 11.613 5.361 1.00 0.00 C ATOM 2729 CG LEU A 184 -2.205 13.053 4.973 1.00 0.00 C ATOM 2730 CD1 LEU A 184 -3.394 13.560 5.776 1.00 0.00 C ATOM 2731 CD2 LEU A 184 -0.998 13.956 5.180 1.00 0.00 C ATOM 0 HA LEU A 184 -2.247 10.491 3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -2.068 11.484 6.425 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -0.802 11.452 5.214 1.00 0.00 H new ATOM 0 HG LEU A 184 -2.471 13.071 3.916 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -3.618 14.587 5.486 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -4.261 12.930 5.579 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -3.156 13.527 6.839 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -1.255 14.977 4.899 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -0.701 13.932 6.229 1.00 0.00 H new ATOM 0 HD23 LEU A 184 -0.172 13.606 4.561 1.00 0.00 H new ATOM 2743 N SER A 185 -1.313 8.539 4.967 1.00 0.00 N ATOM 2744 CA SER A 185 -1.021 7.228 5.536 1.00 0.00 C ATOM 2745 C SER A 185 0.480 6.960 5.575 1.00 0.00 C ATOM 2746 O SER A 185 1.232 7.438 4.720 1.00 0.00 O ATOM 2747 CB SER A 185 -1.724 6.134 4.730 1.00 0.00 C ATOM 2748 OG SER A 185 -3.009 6.556 4.307 1.00 0.00 O ATOM 0 H SER A 185 -0.586 8.906 4.353 1.00 0.00 H new ATOM 0 HA SER A 185 -1.394 7.219 6.560 1.00 0.00 H new ATOM 0 HB2 SER A 185 -1.120 5.873 3.861 1.00 0.00 H new ATOM 0 HB3 SER A 185 -1.815 5.233 5.337 1.00 0.00 H new ATOM 0 HG SER A 185 -3.436 5.839 3.793 1.00 0.00 H new ATOM 2754 N LEU A 186 0.904 6.184 6.571 1.00 0.00 N ATOM 2755 CA LEU A 186 2.312 5.833 6.728 1.00 0.00 C ATOM 2756 C LEU A 186 2.508 4.331 6.560 1.00 0.00 C ATOM 2757 O LEU A 186 1.735 3.533 7.091 1.00 0.00 O ATOM 2758 CB LEU A 186 2.834 6.268 8.104 1.00 0.00 C ATOM 2759 CG LEU A 186 2.101 7.447 8.750 1.00 0.00 C ATOM 2760 CD1 LEU A 186 1.047 6.950 9.730 1.00 0.00 C ATOM 2761 CD2 LEU A 186 3.089 8.368 9.454 1.00 0.00 C ATOM 0 H LEU A 186 0.290 5.786 7.282 1.00 0.00 H new ATOM 0 HA LEU A 186 2.876 6.358 5.957 1.00 0.00 H new ATOM 0 HB2 LEU A 186 2.778 5.415 8.780 1.00 0.00 H new ATOM 0 HB3 LEU A 186 3.888 6.529 8.007 1.00 0.00 H new ATOM 0 HG LEU A 186 1.601 8.012 7.964 1.00 0.00 H new ATOM 0 HD11 LEU A 186 0.537 7.802 10.179 1.00 0.00 H new ATOM 0 HD12 LEU A 186 0.322 6.330 9.202 1.00 0.00 H new ATOM 0 HD13 LEU A 186 1.526 6.361 10.512 1.00 0.00 H new ATOM 0 HD21 LEU A 186 2.551 9.200 9.907 1.00 0.00 H new ATOM 0 HD22 LEU A 186 3.616 7.812 10.229 1.00 0.00 H new ATOM 0 HD23 LEU A 186 3.808 8.752 8.730 1.00 0.00 H new ATOM 2773 N GLY A 187 3.541 3.946 5.817 1.00 0.00 N ATOM 2774 CA GLY A 187 3.804 2.537 5.600 1.00 0.00 C ATOM 2775 C GLY A 187 5.270 2.241 5.359 1.00 0.00 C ATOM 2776 O GLY A 187 6.073 3.154 5.167 1.00 0.00 O ATOM 0 H GLY A 187 4.197 4.582 5.364 1.00 0.00 H new ATOM 0 HA2 GLY A 187 3.462 1.971 6.467 1.00 0.00 H new ATOM 0 HA3 GLY A 187 3.223 2.192 4.744 1.00 0.00 H new ATOM 2780 N VAL A 188 5.616 0.958 5.362 1.00 0.00 N ATOM 2781 CA VAL A 188 6.995 0.535 5.135 1.00 0.00 C ATOM 2782 C VAL A 188 7.054 -0.572 4.090 1.00 0.00 C ATOM 2783 O VAL A 188 6.204 -1.462 4.069 1.00 0.00 O ATOM 2784 CB VAL A 188 7.671 0.045 6.434 1.00 0.00 C ATOM 2785 CG1 VAL A 188 8.217 1.223 7.228 1.00 0.00 C ATOM 2786 CG2 VAL A 188 6.705 -0.772 7.281 1.00 0.00 C ATOM 0 H VAL A 188 4.961 0.192 5.519 1.00 0.00 H new ATOM 0 HA VAL A 188 7.537 1.409 4.775 1.00 0.00 H new ATOM 0 HB VAL A 188 8.503 -0.602 6.158 1.00 0.00 H new ATOM 0 HG11 VAL A 188 8.690 0.859 8.140 1.00 0.00 H new ATOM 0 HG12 VAL A 188 8.952 1.758 6.627 1.00 0.00 H new ATOM 0 HG13 VAL A 188 7.400 1.897 7.487 1.00 0.00 H new ATOM 0 HG21 VAL A 188 7.208 -1.104 8.189 1.00 0.00 H new ATOM 0 HG22 VAL A 188 5.845 -0.158 7.547 1.00 0.00 H new ATOM 0 HG23 VAL A 188 6.369 -1.641 6.714 1.00 0.00 H new ATOM 2796 N SER A 189 8.054 -0.511 3.217 1.00 0.00 N ATOM 2797 CA SER A 189 8.205 -1.511 2.166 1.00 0.00 C ATOM 2798 C SER A 189 9.675 -1.800 1.882 1.00 0.00 C ATOM 2799 O SER A 189 10.565 -1.157 2.438 1.00 0.00 O ATOM 2800 CB SER A 189 7.515 -1.038 0.885 1.00 0.00 C ATOM 2801 OG SER A 189 8.178 0.086 0.333 1.00 0.00 O ATOM 0 H SER A 189 8.769 0.217 3.216 1.00 0.00 H new ATOM 0 HA SER A 189 7.737 -2.432 2.513 1.00 0.00 H new ATOM 0 HB2 SER A 189 7.499 -1.849 0.156 1.00 0.00 H new ATOM 0 HB3 SER A 189 6.477 -0.782 1.100 1.00 0.00 H new ATOM 0 HG SER A 189 7.718 0.367 -0.486 1.00 0.00 H new ATOM 2807 N TYR A 190 9.917 -2.774 1.011 1.00 0.00 N ATOM 2808 CA TYR A 190 11.273 -3.157 0.644 1.00 0.00 C ATOM 2809 C TYR A 190 11.351 -3.515 -0.836 1.00 0.00 C ATOM 2810 O TYR A 190 10.338 -3.825 -1.464 1.00 0.00 O ATOM 2811 CB TYR A 190 11.741 -4.339 1.494 1.00 0.00 C ATOM 2812 CG TYR A 190 10.751 -5.483 1.538 1.00 0.00 C ATOM 2813 CD1 TYR A 190 10.535 -6.283 0.423 1.00 0.00 C ATOM 2814 CD2 TYR A 190 10.034 -5.761 2.694 1.00 0.00 C ATOM 2815 CE1 TYR A 190 9.632 -7.328 0.459 1.00 0.00 C ATOM 2816 CE2 TYR A 190 9.129 -6.805 2.738 1.00 0.00 C ATOM 2817 CZ TYR A 190 8.932 -7.584 1.619 1.00 0.00 C ATOM 2818 OH TYR A 190 8.031 -8.623 1.659 1.00 0.00 O ATOM 0 H TYR A 190 9.188 -3.314 0.545 1.00 0.00 H new ATOM 0 HA TYR A 190 11.929 -2.306 0.830 1.00 0.00 H new ATOM 0 HB2 TYR A 190 12.690 -4.705 1.101 1.00 0.00 H new ATOM 0 HB3 TYR A 190 11.929 -3.993 2.510 1.00 0.00 H new ATOM 0 HD1 TYR A 190 11.082 -6.085 -0.487 1.00 0.00 H new ATOM 0 HD2 TYR A 190 10.186 -5.152 3.573 1.00 0.00 H new ATOM 0 HE1 TYR A 190 9.475 -7.941 -0.416 1.00 0.00 H new ATOM 0 HE2 TYR A 190 8.579 -7.009 3.645 1.00 0.00 H new ATOM 0 HH TYR A 190 7.624 -8.669 2.549 1.00 0.00 H new ATOM 2828 N ARG A 191 12.560 -3.472 -1.388 1.00 0.00 N ATOM 2829 CA ARG A 191 12.770 -3.793 -2.795 1.00 0.00 C ATOM 2830 C ARG A 191 13.333 -5.202 -2.953 1.00 0.00 C ATOM 2831 O ARG A 191 14.212 -5.620 -2.199 1.00 0.00 O ATOM 2832 CB ARG A 191 13.717 -2.778 -3.435 1.00 0.00 C ATOM 2833 CG ARG A 191 15.110 -2.772 -2.824 1.00 0.00 C ATOM 2834 CD ARG A 191 15.692 -1.368 -2.768 1.00 0.00 C ATOM 2835 NE ARG A 191 16.086 -0.992 -1.413 1.00 0.00 N ATOM 2836 CZ ARG A 191 15.234 -0.565 -0.484 1.00 0.00 C ATOM 2837 NH1 ARG A 191 13.939 -0.460 -0.757 1.00 0.00 N ATOM 2838 NH2 ARG A 191 15.677 -0.241 0.724 1.00 0.00 N ATOM 0 H ARG A 191 13.409 -3.218 -0.882 1.00 0.00 H new ATOM 0 HA ARG A 191 11.805 -3.748 -3.300 1.00 0.00 H new ATOM 0 HB2 ARG A 191 13.798 -2.992 -4.501 1.00 0.00 H new ATOM 0 HB3 ARG A 191 13.285 -1.782 -3.342 1.00 0.00 H new ATOM 0 HG2 ARG A 191 15.068 -3.189 -1.818 1.00 0.00 H new ATOM 0 HG3 ARG A 191 15.767 -3.416 -3.409 1.00 0.00 H new ATOM 0 HD2 ARG A 191 16.558 -1.308 -3.427 1.00 0.00 H new ATOM 0 HD3 ARG A 191 14.957 -0.656 -3.142 1.00 0.00 H new ATOM 0 HE ARG A 191 17.073 -1.061 -1.164 1.00 0.00 H new ATOM 0 HH11 ARG A 191 13.591 -0.707 -1.684 1.00 0.00 H new ATOM 0 HH12 ARG A 191 13.292 -0.132 -0.040 1.00 0.00 H new ATOM 0 HH21 ARG A 191 16.671 -0.319 0.941 1.00 0.00 H new ATOM 0 HH22 ARG A 191 15.024 0.086 1.436 1.00 0.00 H new