USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 595 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -90:sc= -0.272 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 151:sc= 0.362 (180deg=-1.66!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.331 X(o=-0.33,f=-0.035) USER MOD Single : A 92 GLN : amide:sc= -0.0527 X(o=-0.053,f=0) USER MOD Single : A 95 GLN :FLIP amide:sc= -0.605 F(o=-1.7,f=-0.6) USER MOD Single : A 97 THR OG1 : rot -150:sc= -0.598 USER MOD Single : A 99 LYS NZ :NH3+ -132:sc= -0.81 (180deg=-3.81!) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 15:sc= -1.65 USER MOD Single : A 112 THR OG1 : rot -45:sc= 0.166 USER MOD Single : A 117 MET CE :methyl -158:sc= -0.186 (180deg=-1.15) 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 180:sc= 0 USER MOD Single : A 164 GLN : amide:sc= -0.039 X(o=-0.039,f=-0.16) USER MOD Single : A 185 SER OG : rot 180:sc=-0.00219 USER MOD Single : A 189 SER OG : rot -110:sc= 0 USER MOD Single : A 190 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 275 N THR A 18 12.803 -3.213 -11.259 1.00 0.00 N ATOM 276 CA THR A 18 12.831 -3.536 -9.837 1.00 0.00 C ATOM 277 C THR A 18 11.421 -3.781 -9.309 1.00 0.00 C ATOM 278 O THR A 18 10.437 -3.566 -10.018 1.00 0.00 O ATOM 279 CB THR A 18 13.496 -2.408 -9.046 1.00 0.00 C ATOM 280 OG1 THR A 18 13.289 -2.580 -7.656 1.00 0.00 O ATOM 281 CG2 THR A 18 12.984 -1.033 -9.420 1.00 0.00 C ATOM 0 HA THR A 18 13.413 -4.449 -9.709 1.00 0.00 H new ATOM 0 HB THR A 18 14.555 -2.465 -9.297 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.465 -2.121 -7.389 1.00 0.00 H new ATOM 0 HG21 THR A 18 13.496 -0.279 -8.823 1.00 0.00 H new ATOM 0 HG22 THR A 18 13.174 -0.849 -10.477 1.00 0.00 H new ATOM 0 HG23 THR A 18 11.912 -0.980 -9.230 1.00 0.00 H new ATOM 289 N TRP A 19 11.330 -4.234 -8.063 1.00 0.00 N ATOM 290 CA TRP A 19 10.040 -4.508 -7.443 1.00 0.00 C ATOM 291 C TRP A 19 10.050 -4.123 -5.968 1.00 0.00 C ATOM 292 O TRP A 19 10.951 -4.507 -5.222 1.00 0.00 O ATOM 293 CB TRP A 19 9.681 -5.988 -7.594 1.00 0.00 C ATOM 294 CG TRP A 19 8.334 -6.333 -7.035 1.00 0.00 C ATOM 295 CD1 TRP A 19 7.267 -5.495 -6.888 1.00 0.00 C ATOM 296 CD2 TRP A 19 7.910 -7.612 -6.547 1.00 0.00 C ATOM 297 NE1 TRP A 19 6.206 -6.174 -6.340 1.00 0.00 N ATOM 298 CE2 TRP A 19 6.575 -7.475 -6.121 1.00 0.00 C ATOM 299 CE3 TRP A 19 8.529 -8.861 -6.431 1.00 0.00 C ATOM 300 CZ2 TRP A 19 5.850 -8.537 -5.588 1.00 0.00 C ATOM 301 CZ3 TRP A 19 7.808 -9.915 -5.901 1.00 0.00 C ATOM 302 CH2 TRP A 19 6.480 -9.747 -5.486 1.00 0.00 C ATOM 0 H TRP A 19 12.134 -4.419 -7.463 1.00 0.00 H new ATOM 0 HA TRP A 19 9.287 -3.905 -7.951 1.00 0.00 H new ATOM 0 HB2 TRP A 19 9.707 -6.255 -8.651 1.00 0.00 H new ATOM 0 HB3 TRP A 19 10.439 -6.591 -7.094 1.00 0.00 H new ATOM 0 HD1 TRP A 19 7.258 -4.450 -7.162 1.00 0.00 H new ATOM 0 HE1 TRP A 19 5.291 -5.774 -6.130 1.00 0.00 H new ATOM 0 HE3 TRP A 19 9.552 -9.000 -6.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 4.827 -8.410 -5.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 8.276 -10.884 -5.805 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.943 -10.590 -5.077 1.00 0.00 H new ATOM 313 N TYR A 20 9.042 -3.361 -5.554 1.00 0.00 N ATOM 314 CA TYR A 20 8.933 -2.924 -4.166 1.00 0.00 C ATOM 315 C TYR A 20 7.640 -3.431 -3.538 1.00 0.00 C ATOM 316 O TYR A 20 6.573 -3.370 -4.152 1.00 0.00 O ATOM 317 CB TYR A 20 8.988 -1.397 -4.086 1.00 0.00 C ATOM 318 CG TYR A 20 10.343 -0.820 -4.431 1.00 0.00 C ATOM 319 CD1 TYR A 20 10.876 -0.963 -5.704 1.00 0.00 C ATOM 320 CD2 TYR A 20 11.086 -0.131 -3.480 1.00 0.00 C ATOM 321 CE1 TYR A 20 12.115 -0.438 -6.022 1.00 0.00 C ATOM 322 CE2 TYR A 20 12.325 0.399 -3.791 1.00 0.00 C ATOM 323 CZ TYR A 20 12.834 0.242 -5.062 1.00 0.00 C ATOM 324 OH TYR A 20 14.066 0.768 -5.376 1.00 0.00 O ATOM 0 H TYR A 20 8.289 -3.033 -6.160 1.00 0.00 H new ATOM 0 HA TYR A 20 9.774 -3.341 -3.611 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.242 -0.979 -4.762 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.715 -1.084 -3.078 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.314 -1.493 -6.459 1.00 0.00 H new ATOM 0 HD2 TYR A 20 10.690 -0.008 -2.483 1.00 0.00 H new ATOM 0 HE1 TYR A 20 12.517 -0.560 -7.017 1.00 0.00 H new ATOM 0 HE2 TYR A 20 12.891 0.933 -3.042 1.00 0.00 H new ATOM 0 HH TYR A 20 14.440 1.217 -4.589 1.00 0.00 H new ATOM 334 N ALA A 21 7.740 -3.933 -2.310 1.00 0.00 N ATOM 335 CA ALA A 21 6.574 -4.450 -1.600 1.00 0.00 C ATOM 336 C ALA A 21 6.619 -4.072 -0.124 1.00 0.00 C ATOM 337 O ALA A 21 7.676 -4.105 0.504 1.00 0.00 O ATOM 338 CB ALA A 21 6.489 -5.960 -1.760 1.00 0.00 C ATOM 0 H ALA A 21 8.614 -3.993 -1.787 1.00 0.00 H new ATOM 0 HA ALA A 21 5.682 -3.999 -2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.615 -6.334 -1.226 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.402 -6.210 -2.818 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.388 -6.420 -1.351 1.00 0.00 H new ATOM 344 N GLY A 22 5.462 -3.713 0.424 1.00 0.00 N ATOM 345 CA GLY A 22 5.390 -3.333 1.823 1.00 0.00 C ATOM 346 C GLY A 22 3.962 -3.168 2.307 1.00 0.00 C ATOM 347 O GLY A 22 3.031 -3.700 1.703 1.00 0.00 O ATOM 0 H GLY A 22 4.573 -3.679 -0.076 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.890 -4.089 2.428 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.931 -2.398 1.971 1.00 0.00 H new ATOM 351 N GLY A 23 3.789 -2.430 3.400 1.00 0.00 N ATOM 352 CA GLY A 23 2.461 -2.213 3.943 1.00 0.00 C ATOM 353 C GLY A 23 2.319 -0.860 4.613 1.00 0.00 C ATOM 354 O GLY A 23 3.280 -0.340 5.186 1.00 0.00 O ATOM 0 H GLY A 23 4.544 -1.980 3.918 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.727 -2.296 3.142 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.235 -2.997 4.665 1.00 0.00 H new ATOM 358 N LYS A 24 1.119 -0.287 4.539 1.00 0.00 N ATOM 359 CA LYS A 24 0.858 1.015 5.143 1.00 0.00 C ATOM 360 C LYS A 24 -0.304 0.938 6.130 1.00 0.00 C ATOM 361 O LYS A 24 -1.107 0.006 6.092 1.00 0.00 O ATOM 362 CB LYS A 24 0.552 2.050 4.059 1.00 0.00 C ATOM 363 CG LYS A 24 1.542 2.032 2.904 1.00 0.00 C ATOM 364 CD LYS A 24 1.927 3.440 2.477 1.00 0.00 C ATOM 365 CE LYS A 24 1.885 3.594 0.964 1.00 0.00 C ATOM 366 NZ LYS A 24 0.493 3.742 0.458 1.00 0.00 N ATOM 0 H LYS A 24 0.316 -0.703 4.068 1.00 0.00 H new ATOM 0 HA LYS A 24 1.752 1.319 5.687 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.451 1.871 3.670 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.548 3.043 4.508 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.436 1.483 3.199 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.106 1.501 2.058 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.249 4.159 2.936 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.929 3.670 2.840 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.472 4.465 0.672 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.350 2.725 0.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.499 4.308 -0.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.094 2.802 0.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.088 4.220 1.176 1.00 0.00 H new ATOM 380 N LEU A 25 -0.384 1.931 7.012 1.00 0.00 N ATOM 381 CA LEU A 25 -1.445 1.986 8.011 1.00 0.00 C ATOM 382 C LEU A 25 -1.924 3.420 8.210 1.00 0.00 C ATOM 383 O LEU A 25 -1.129 4.362 8.170 1.00 0.00 O ATOM 384 CB LEU A 25 -0.953 1.412 9.342 1.00 0.00 C ATOM 385 CG LEU A 25 -2.055 0.921 10.285 1.00 0.00 C ATOM 386 CD1 LEU A 25 -1.604 -0.325 11.031 1.00 0.00 C ATOM 387 CD2 LEU A 25 -2.445 2.017 11.266 1.00 0.00 C ATOM 0 H LEU A 25 0.275 2.709 7.054 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.281 1.386 7.653 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.278 0.582 9.134 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.370 2.176 9.856 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.930 0.666 9.687 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.400 -0.659 11.696 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.374 -1.114 10.315 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.714 -0.096 11.617 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.229 1.650 11.928 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.575 2.303 11.857 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.811 2.884 10.716 1.00 0.00 H new ATOM 399 N GLY A 26 -3.224 3.580 8.426 1.00 0.00 N ATOM 400 CA GLY A 26 -3.784 4.904 8.628 1.00 0.00 C ATOM 401 C GLY A 26 -5.252 4.863 9.007 1.00 0.00 C ATOM 402 O GLY A 26 -5.766 3.820 9.410 1.00 0.00 O ATOM 0 H GLY A 26 -3.900 2.818 8.465 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.224 5.416 9.411 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.664 5.489 7.716 1.00 0.00 H new ATOM 799 N GLY A 53 -6.954 1.217 9.932 1.00 0.00 N ATOM 800 CA GLY A 53 -6.916 0.342 8.775 1.00 0.00 C ATOM 801 C GLY A 53 -5.505 0.086 8.284 1.00 0.00 C ATOM 802 O GLY A 53 -4.658 0.978 8.321 1.00 0.00 O ATOM 0 HA2 GLY A 53 -7.387 -0.608 9.027 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.502 0.785 7.970 1.00 0.00 H new ATOM 806 N ALA A 54 -5.255 -1.135 7.823 1.00 0.00 N ATOM 807 CA ALA A 54 -3.937 -1.508 7.321 1.00 0.00 C ATOM 808 C ALA A 54 -4.043 -2.155 5.945 1.00 0.00 C ATOM 809 O ALA A 54 -5.072 -2.736 5.601 1.00 0.00 O ATOM 810 CB ALA A 54 -3.247 -2.447 8.298 1.00 0.00 C ATOM 0 H ALA A 54 -5.947 -1.883 7.787 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.339 -0.602 7.224 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.265 -2.717 7.911 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.133 -1.950 9.261 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.848 -3.348 8.423 1.00 0.00 H new ATOM 816 N GLY A 55 -2.975 -2.050 5.160 1.00 0.00 N ATOM 817 CA GLY A 55 -2.980 -2.633 3.831 1.00 0.00 C ATOM 818 C GLY A 55 -1.586 -2.891 3.299 1.00 0.00 C ATOM 819 O GLY A 55 -0.595 -2.484 3.904 1.00 0.00 O ATOM 0 H GLY A 55 -2.111 -1.574 5.419 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.535 -3.571 3.853 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.507 -1.966 3.149 1.00 0.00 H new ATOM 823 N ALA A 56 -1.513 -3.571 2.157 1.00 0.00 N ATOM 824 CA ALA A 56 -0.232 -3.887 1.536 1.00 0.00 C ATOM 825 C ALA A 56 -0.080 -3.161 0.203 1.00 0.00 C ATOM 826 O ALA A 56 -0.980 -3.191 -0.636 1.00 0.00 O ATOM 827 CB ALA A 56 -0.095 -5.388 1.342 1.00 0.00 C ATOM 0 H ALA A 56 -2.326 -3.913 1.644 1.00 0.00 H new ATOM 0 HA ALA A 56 0.562 -3.547 2.200 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.866 -5.609 0.877 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.153 -5.887 2.309 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.899 -5.747 0.700 1.00 0.00 H new ATOM 833 N PHE A 57 1.063 -2.511 0.014 1.00 0.00 N ATOM 834 CA PHE A 57 1.331 -1.779 -1.218 1.00 0.00 C ATOM 835 C PHE A 57 2.546 -2.349 -1.941 1.00 0.00 C ATOM 836 O PHE A 57 3.614 -2.507 -1.351 1.00 0.00 O ATOM 837 CB PHE A 57 1.550 -0.296 -0.915 1.00 0.00 C ATOM 838 CG PHE A 57 0.272 0.484 -0.782 1.00 0.00 C ATOM 839 CD1 PHE A 57 -0.459 0.446 0.394 1.00 0.00 C ATOM 840 CD2 PHE A 57 -0.197 1.255 -1.834 1.00 0.00 C ATOM 841 CE1 PHE A 57 -1.634 1.161 0.520 1.00 0.00 C ATOM 842 CE2 PHE A 57 -1.371 1.973 -1.715 1.00 0.00 C ATOM 843 CZ PHE A 57 -2.091 1.926 -0.536 1.00 0.00 C ATOM 0 H PHE A 57 1.819 -2.476 0.698 1.00 0.00 H new ATOM 0 HA PHE A 57 0.464 -1.886 -1.870 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.121 -0.203 0.009 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.154 0.144 -1.709 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.106 -0.150 1.223 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.362 1.295 -2.757 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.195 1.122 1.442 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.726 2.570 -2.542 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.009 2.486 -0.440 1.00 0.00 H new ATOM 853 N GLY A 58 2.374 -2.653 -3.223 1.00 0.00 N ATOM 854 CA GLY A 58 3.463 -3.199 -4.011 1.00 0.00 C ATOM 855 C GLY A 58 3.504 -2.627 -5.413 1.00 0.00 C ATOM 856 O GLY A 58 2.506 -2.660 -6.132 1.00 0.00 O ATOM 0 H GLY A 58 1.498 -2.531 -3.731 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.409 -2.994 -3.510 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.360 -4.283 -4.066 1.00 0.00 H new ATOM 860 N GLY A 59 4.659 -2.096 -5.802 1.00 0.00 N ATOM 861 CA GLY A 59 4.798 -1.519 -7.127 1.00 0.00 C ATOM 862 C GLY A 59 5.986 -2.079 -7.885 1.00 0.00 C ATOM 863 O GLY A 59 7.073 -2.225 -7.327 1.00 0.00 O ATOM 0 H GLY A 59 5.499 -2.055 -5.225 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.888 -1.704 -7.697 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.905 -0.438 -7.039 1.00 0.00 H new ATOM 867 N TYR A 60 5.777 -2.391 -9.160 1.00 0.00 N ATOM 868 CA TYR A 60 6.838 -2.934 -9.998 1.00 0.00 C ATOM 869 C TYR A 60 6.871 -2.237 -11.353 1.00 0.00 C ATOM 870 O TYR A 60 5.843 -2.096 -12.016 1.00 0.00 O ATOM 871 CB TYR A 60 6.644 -4.441 -10.191 1.00 0.00 C ATOM 872 CG TYR A 60 5.383 -4.799 -10.944 1.00 0.00 C ATOM 873 CD1 TYR A 60 5.353 -4.785 -12.333 1.00 0.00 C ATOM 874 CD2 TYR A 60 4.223 -5.152 -10.267 1.00 0.00 C ATOM 875 CE1 TYR A 60 4.203 -5.113 -13.025 1.00 0.00 C ATOM 876 CE2 TYR A 60 3.069 -5.482 -10.951 1.00 0.00 C ATOM 877 CZ TYR A 60 3.063 -5.460 -12.331 1.00 0.00 C ATOM 878 OH TYR A 60 1.916 -5.787 -13.016 1.00 0.00 O ATOM 0 H TYR A 60 4.882 -2.277 -9.635 1.00 0.00 H new ATOM 0 HA TYR A 60 7.789 -2.758 -9.496 1.00 0.00 H new ATOM 0 HB2 TYR A 60 7.504 -4.843 -10.727 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.623 -4.924 -9.214 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.243 -4.513 -12.881 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.223 -5.169 -9.187 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.197 -5.098 -14.105 1.00 0.00 H new ATOM 0 HE2 TYR A 60 2.176 -5.756 -10.409 1.00 0.00 H new ATOM 0 HH TYR A 60 1.206 -6.007 -12.378 1.00 0.00 H new ATOM 888 N GLN A 61 8.059 -1.799 -11.758 1.00 0.00 N ATOM 889 CA GLN A 61 8.225 -1.116 -13.035 1.00 0.00 C ATOM 890 C GLN A 61 8.790 -2.062 -14.088 1.00 0.00 C ATOM 891 O GLN A 61 9.710 -2.833 -13.815 1.00 0.00 O ATOM 892 CB GLN A 61 9.146 0.096 -12.871 1.00 0.00 C ATOM 893 CG GLN A 61 8.588 1.164 -11.948 1.00 0.00 C ATOM 894 CD GLN A 61 9.672 1.905 -11.191 1.00 0.00 C ATOM 895 OE1 GLN A 61 9.730 3.134 -11.210 1.00 0.00 O ATOM 896 NE2 GLN A 61 10.539 1.157 -10.518 1.00 0.00 N ATOM 0 H GLN A 61 8.920 -1.905 -11.221 1.00 0.00 H new ATOM 0 HA GLN A 61 7.245 -0.776 -13.369 1.00 0.00 H new ATOM 0 HB2 GLN A 61 10.108 -0.239 -12.485 1.00 0.00 H new ATOM 0 HB3 GLN A 61 9.332 0.536 -13.851 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.007 1.877 -12.533 1.00 0.00 H new ATOM 0 HG3 GLN A 61 7.904 0.702 -11.236 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.453 0.141 -10.530 1.00 0.00 H new ATOM 0 HE22 GLN A 61 11.291 1.599 -9.989 1.00 0.00 H new ATOM 970 N LEU A 66 6.599 4.002 -16.271 1.00 0.00 N ATOM 971 CA LEU A 66 5.720 3.786 -15.128 1.00 0.00 C ATOM 972 C LEU A 66 5.626 2.302 -14.785 1.00 0.00 C ATOM 973 O LEU A 66 5.992 1.445 -15.590 1.00 0.00 O ATOM 974 CB LEU A 66 4.325 4.343 -15.420 1.00 0.00 C ATOM 975 CG LEU A 66 3.746 3.953 -16.784 1.00 0.00 C ATOM 976 CD1 LEU A 66 2.376 3.311 -16.621 1.00 0.00 C ATOM 977 CD2 LEU A 66 3.663 5.168 -17.696 1.00 0.00 C ATOM 0 HA LEU A 66 6.143 4.312 -14.272 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.643 4.001 -14.641 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.363 5.430 -15.356 1.00 0.00 H new ATOM 0 HG LEU A 66 4.413 3.224 -17.244 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.982 3.041 -17.601 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.465 2.415 -16.006 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.699 4.016 -16.139 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.250 4.872 -18.660 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.019 5.921 -17.241 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.660 5.583 -17.841 1.00 0.00 H new ATOM 989 N GLY A 67 5.132 2.005 -13.587 1.00 0.00 N ATOM 990 CA GLY A 67 4.999 0.624 -13.161 1.00 0.00 C ATOM 991 C GLY A 67 3.618 0.316 -12.615 1.00 0.00 C ATOM 992 O GLY A 67 2.829 1.224 -12.355 1.00 0.00 O ATOM 0 H GLY A 67 4.822 2.696 -12.904 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.208 -0.035 -14.004 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.745 0.410 -12.396 1.00 0.00 H new ATOM 996 N PHE A 68 3.328 -0.969 -12.440 1.00 0.00 N ATOM 997 CA PHE A 68 2.032 -1.395 -11.919 1.00 0.00 C ATOM 998 C PHE A 68 2.032 -1.382 -10.394 1.00 0.00 C ATOM 999 O PHE A 68 2.950 -1.900 -9.760 1.00 0.00 O ATOM 1000 CB PHE A 68 1.690 -2.796 -12.434 1.00 0.00 C ATOM 1001 CG PHE A 68 0.336 -2.886 -13.078 1.00 0.00 C ATOM 1002 CD1 PHE A 68 0.158 -2.510 -14.399 1.00 0.00 C ATOM 1003 CD2 PHE A 68 -0.758 -3.344 -12.361 1.00 0.00 C ATOM 1004 CE1 PHE A 68 -1.088 -2.589 -14.994 1.00 0.00 C ATOM 1005 CE2 PHE A 68 -2.005 -3.427 -12.951 1.00 0.00 C ATOM 1006 CZ PHE A 68 -2.170 -3.049 -14.269 1.00 0.00 C ATOM 0 H PHE A 68 3.971 -1.733 -12.650 1.00 0.00 H new ATOM 0 HA PHE A 68 1.274 -0.694 -12.269 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.447 -3.104 -13.155 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.736 -3.500 -11.604 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.001 -2.151 -14.971 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.635 -3.639 -11.330 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.215 -2.291 -16.024 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.849 -3.787 -12.382 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.144 -3.113 -14.732 1.00 0.00 H new ATOM 1016 N GLU A 69 0.997 -0.785 -9.810 1.00 0.00 N ATOM 1017 CA GLU A 69 0.882 -0.703 -8.360 1.00 0.00 C ATOM 1018 C GLU A 69 -0.292 -1.534 -7.855 1.00 0.00 C ATOM 1019 O GLU A 69 -1.443 -1.291 -8.221 1.00 0.00 O ATOM 1020 CB GLU A 69 0.715 0.752 -7.923 1.00 0.00 C ATOM 1021 CG GLU A 69 1.380 1.069 -6.594 1.00 0.00 C ATOM 1022 CD GLU A 69 0.782 0.284 -5.442 1.00 0.00 C ATOM 1023 OE1 GLU A 69 -0.460 0.242 -5.337 1.00 0.00 O ATOM 1024 OE2 GLU A 69 1.558 -0.285 -4.646 1.00 0.00 O ATOM 0 H GLU A 69 0.227 -0.352 -10.320 1.00 0.00 H new ATOM 0 HA GLU A 69 1.798 -1.104 -7.927 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.130 1.403 -8.692 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.348 0.981 -7.851 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.446 0.850 -6.664 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.286 2.136 -6.390 1.00 0.00 H new ATOM 1031 N MET A 70 0.010 -2.512 -7.008 1.00 0.00 N ATOM 1032 CA MET A 70 -1.014 -3.380 -6.442 1.00 0.00 C ATOM 1033 C MET A 70 -1.280 -3.015 -4.985 1.00 0.00 C ATOM 1034 O MET A 70 -0.365 -3.005 -4.161 1.00 0.00 O ATOM 1035 CB MET A 70 -0.584 -4.845 -6.542 1.00 0.00 C ATOM 1036 CG MET A 70 -1.750 -5.816 -6.645 1.00 0.00 C ATOM 1037 SD MET A 70 -1.886 -6.573 -8.275 1.00 0.00 S ATOM 1038 CE MET A 70 -1.903 -8.310 -7.841 1.00 0.00 C ATOM 0 H MET A 70 0.959 -2.723 -6.698 1.00 0.00 H new ATOM 0 HA MET A 70 -1.933 -3.241 -7.011 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.058 -4.968 -7.414 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.014 -5.100 -5.667 1.00 0.00 H new ATOM 0 HG2 MET A 70 -1.633 -6.598 -5.895 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.677 -5.290 -6.415 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.984 -8.911 -8.747 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.981 -8.563 -7.318 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.755 -8.515 -7.193 1.00 0.00 H new ATOM 1048 N GLY A 71 -2.535 -2.711 -4.675 1.00 0.00 N ATOM 1049 CA GLY A 71 -2.892 -2.344 -3.317 1.00 0.00 C ATOM 1050 C GLY A 71 -3.727 -3.405 -2.628 1.00 0.00 C ATOM 1051 O GLY A 71 -4.502 -4.112 -3.271 1.00 0.00 O ATOM 0 H GLY A 71 -3.310 -2.712 -5.338 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.983 -2.171 -2.740 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.444 -1.405 -3.332 1.00 0.00 H new ATOM 1055 N TYR A 72 -3.567 -3.514 -1.313 1.00 0.00 N ATOM 1056 CA TYR A 72 -4.313 -4.493 -0.531 1.00 0.00 C ATOM 1057 C TYR A 72 -4.964 -3.831 0.677 1.00 0.00 C ATOM 1058 O TYR A 72 -4.278 -3.342 1.573 1.00 0.00 O ATOM 1059 CB TYR A 72 -3.387 -5.621 -0.071 1.00 0.00 C ATOM 1060 CG TYR A 72 -3.108 -6.651 -1.142 1.00 0.00 C ATOM 1061 CD1 TYR A 72 -4.046 -7.626 -1.455 1.00 0.00 C ATOM 1062 CD2 TYR A 72 -1.905 -6.651 -1.836 1.00 0.00 C ATOM 1063 CE1 TYR A 72 -3.794 -8.571 -2.431 1.00 0.00 C ATOM 1064 CE2 TYR A 72 -1.646 -7.593 -2.815 1.00 0.00 C ATOM 1065 CZ TYR A 72 -2.593 -8.550 -3.108 1.00 0.00 C ATOM 1066 OH TYR A 72 -2.339 -9.488 -4.082 1.00 0.00 O ATOM 0 H TYR A 72 -2.928 -2.937 -0.767 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.096 -4.912 -1.164 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -2.443 -5.191 0.262 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.833 -6.117 0.791 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.988 -7.646 -0.927 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.160 -5.903 -1.608 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.534 -9.323 -2.663 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.706 -7.579 -3.347 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.449 -9.332 -4.462 1.00 0.00 H new ATOM 1076 N ASP A 73 -6.293 -3.816 0.695 1.00 0.00 N ATOM 1077 CA ASP A 73 -7.034 -3.209 1.796 1.00 0.00 C ATOM 1078 C ASP A 73 -7.367 -4.243 2.866 1.00 0.00 C ATOM 1079 O ASP A 73 -8.038 -5.240 2.596 1.00 0.00 O ATOM 1080 CB ASP A 73 -8.320 -2.560 1.275 1.00 0.00 C ATOM 1081 CG ASP A 73 -8.469 -1.125 1.740 1.00 0.00 C ATOM 1082 OD1 ASP A 73 -8.765 -0.915 2.935 1.00 0.00 O ATOM 1083 OD2 ASP A 73 -8.292 -0.209 0.909 1.00 0.00 O ATOM 0 H ASP A 73 -6.878 -4.216 -0.038 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.404 -2.441 2.246 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.323 -2.589 0.185 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.179 -3.140 1.612 1.00 0.00 H new ATOM 1088 N TRP A 74 -6.892 -3.994 4.084 1.00 0.00 N ATOM 1089 CA TRP A 74 -7.134 -4.899 5.202 1.00 0.00 C ATOM 1090 C TRP A 74 -7.713 -4.144 6.397 1.00 0.00 C ATOM 1091 O TRP A 74 -7.054 -3.282 6.979 1.00 0.00 O ATOM 1092 CB TRP A 74 -5.837 -5.603 5.606 1.00 0.00 C ATOM 1093 CG TRP A 74 -5.900 -7.093 5.458 1.00 0.00 C ATOM 1094 CD1 TRP A 74 -6.822 -7.933 6.011 1.00 0.00 C ATOM 1095 CD2 TRP A 74 -5.000 -7.918 4.710 1.00 0.00 C ATOM 1096 NE1 TRP A 74 -6.552 -9.232 5.653 1.00 0.00 N ATOM 1097 CE2 TRP A 74 -5.438 -9.249 4.854 1.00 0.00 C ATOM 1098 CE3 TRP A 74 -3.867 -7.662 3.933 1.00 0.00 C ATOM 1099 CZ2 TRP A 74 -4.784 -10.318 4.247 1.00 0.00 C ATOM 1100 CZ3 TRP A 74 -3.218 -8.725 3.332 1.00 0.00 C ATOM 1101 CH2 TRP A 74 -3.678 -10.039 3.491 1.00 0.00 C ATOM 0 H TRP A 74 -6.337 -3.172 4.321 1.00 0.00 H new ATOM 0 HA TRP A 74 -7.859 -5.647 4.882 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.018 -5.219 4.997 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -5.606 -5.357 6.643 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -7.644 -7.622 6.639 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.092 -10.050 5.936 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -3.505 -6.653 3.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.137 -11.331 4.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -2.341 -8.539 2.729 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.149 -10.847 3.008 1.00 0.00 H new ATOM 1361 N GLN A 92 -11.913 -8.586 1.776 1.00 0.00 N ATOM 1362 CA GLN A 92 -10.548 -8.313 1.340 1.00 0.00 C ATOM 1363 C GLN A 92 -10.542 -7.256 0.240 1.00 0.00 C ATOM 1364 O GLN A 92 -11.294 -7.354 -0.730 1.00 0.00 O ATOM 1365 CB GLN A 92 -9.882 -9.595 0.839 1.00 0.00 C ATOM 1366 CG GLN A 92 -9.709 -10.652 1.918 1.00 0.00 C ATOM 1367 CD GLN A 92 -8.762 -11.762 1.503 1.00 0.00 C ATOM 1368 OE1 GLN A 92 -9.137 -12.933 1.469 1.00 0.00 O ATOM 1369 NE2 GLN A 92 -7.526 -11.395 1.184 1.00 0.00 N ATOM 0 HA GLN A 92 -9.984 -7.935 2.192 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -10.478 -10.011 0.027 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -8.905 -9.349 0.423 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -9.334 -10.180 2.826 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.681 -11.081 2.160 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -7.259 -10.411 1.227 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -6.844 -12.097 0.896 1.00 0.00 H new ATOM 1378 N GLY A 93 -9.695 -6.245 0.398 1.00 0.00 N ATOM 1379 CA GLY A 93 -9.623 -5.185 -0.591 1.00 0.00 C ATOM 1380 C GLY A 93 -8.467 -5.351 -1.558 1.00 0.00 C ATOM 1381 O GLY A 93 -7.326 -5.562 -1.146 1.00 0.00 O ATOM 0 H GLY A 93 -9.060 -6.140 1.189 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.557 -5.156 -1.152 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.528 -4.226 -0.081 1.00 0.00 H new ATOM 1385 N VAL A 94 -8.765 -5.244 -2.849 1.00 0.00 N ATOM 1386 CA VAL A 94 -7.749 -5.366 -3.887 1.00 0.00 C ATOM 1387 C VAL A 94 -7.704 -4.098 -4.733 1.00 0.00 C ATOM 1388 O VAL A 94 -8.711 -3.696 -5.315 1.00 0.00 O ATOM 1389 CB VAL A 94 -7.999 -6.585 -4.806 1.00 0.00 C ATOM 1390 CG1 VAL A 94 -7.133 -7.761 -4.379 1.00 0.00 C ATOM 1391 CG2 VAL A 94 -9.470 -6.978 -4.810 1.00 0.00 C ATOM 0 H VAL A 94 -9.707 -5.072 -3.202 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.793 -5.513 -3.384 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.725 -6.302 -5.822 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.322 -8.610 -5.036 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -6.082 -7.480 -4.442 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -7.374 -8.037 -3.352 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.615 -7.837 -5.464 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.780 -7.236 -3.798 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.069 -6.142 -5.171 1.00 0.00 H new ATOM 1401 N GLN A 95 -6.540 -3.459 -4.779 1.00 0.00 N ATOM 1402 CA GLN A 95 -6.381 -2.223 -5.536 1.00 0.00 C ATOM 1403 C GLN A 95 -5.533 -2.430 -6.787 1.00 0.00 C ATOM 1404 O GLN A 95 -4.563 -3.186 -6.780 1.00 0.00 O ATOM 1405 CB GLN A 95 -5.746 -1.146 -4.653 1.00 0.00 C ATOM 1406 CG GLN A 95 -6.401 0.219 -4.792 1.00 0.00 C ATOM 1407 CD GLN A 95 -6.231 1.075 -3.553 1.00 0.00 C ATOM 1408 OE1 GLN A 95 -6.624 0.539 -2.403 1.00 0.00 O flip ATOM 1409 NE2 GLN A 95 -5.751 2.207 -3.627 1.00 0.00 N flip ATOM 0 H GLN A 95 -5.695 -3.775 -4.303 1.00 0.00 H new ATOM 0 HA GLN A 95 -7.373 -1.901 -5.854 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -5.802 -1.462 -3.611 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.689 -1.060 -4.903 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.973 0.738 -5.649 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -7.464 0.089 -4.996 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -5.462 2.580 -4.531 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -5.643 2.771 -2.784 1.00 0.00 H new ATOM 1418 N LEU A 96 -5.912 -1.739 -7.857 1.00 0.00 N ATOM 1419 CA LEU A 96 -5.200 -1.820 -9.128 1.00 0.00 C ATOM 1420 C LEU A 96 -4.947 -0.416 -9.667 1.00 0.00 C ATOM 1421 O LEU A 96 -5.887 0.282 -10.055 1.00 0.00 O ATOM 1422 CB LEU A 96 -6.013 -2.642 -10.133 1.00 0.00 C ATOM 1423 CG LEU A 96 -5.483 -2.637 -11.571 1.00 0.00 C ATOM 1424 CD1 LEU A 96 -5.470 -4.048 -12.142 1.00 0.00 C ATOM 1425 CD2 LEU A 96 -6.324 -1.719 -12.446 1.00 0.00 C ATOM 0 H LEU A 96 -6.716 -1.111 -7.869 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.241 -2.314 -8.972 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.055 -3.673 -9.783 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -7.036 -2.266 -10.140 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.460 -2.261 -11.557 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -5.091 -4.024 -13.164 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.827 -4.682 -11.531 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.483 -4.450 -12.141 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.933 -1.728 -13.464 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.357 -2.067 -12.451 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -6.285 -0.704 -12.051 1.00 0.00 H new ATOM 1437 N THR A 97 -3.685 0.010 -9.673 1.00 0.00 N ATOM 1438 CA THR A 97 -3.348 1.349 -10.147 1.00 0.00 C ATOM 1439 C THR A 97 -1.941 1.401 -10.736 1.00 0.00 C ATOM 1440 O THR A 97 -1.145 0.480 -10.555 1.00 0.00 O ATOM 1441 CB THR A 97 -3.460 2.357 -8.998 1.00 0.00 C ATOM 1442 OG1 THR A 97 -2.275 2.365 -8.221 1.00 0.00 O ATOM 1443 CG2 THR A 97 -4.617 2.082 -8.059 1.00 0.00 C ATOM 0 H THR A 97 -2.889 -0.545 -9.359 1.00 0.00 H new ATOM 0 HA THR A 97 -4.055 1.607 -10.935 1.00 0.00 H new ATOM 0 HB THR A 97 -3.628 3.320 -9.481 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.493 2.600 -7.295 1.00 0.00 H new ATOM 0 HG21 THR A 97 -4.633 2.835 -7.271 1.00 0.00 H new ATOM 0 HG22 THR A 97 -5.554 2.118 -8.615 1.00 0.00 H new ATOM 0 HG23 THR A 97 -4.497 1.094 -7.614 1.00 0.00 H new ATOM 1451 N ALA A 98 -1.643 2.500 -11.424 1.00 0.00 N ATOM 1452 CA ALA A 98 -0.330 2.695 -12.027 1.00 0.00 C ATOM 1453 C ALA A 98 0.500 3.653 -11.179 1.00 0.00 C ATOM 1454 O ALA A 98 0.094 4.792 -10.944 1.00 0.00 O ATOM 1455 CB ALA A 98 -0.469 3.221 -13.447 1.00 0.00 C ATOM 0 H ALA A 98 -2.295 3.269 -11.577 1.00 0.00 H new ATOM 0 HA ALA A 98 0.182 1.734 -12.068 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.521 3.361 -13.882 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -1.031 2.505 -14.047 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.996 4.175 -13.432 1.00 0.00 H new ATOM 1461 N LYS A 99 1.650 3.185 -10.706 1.00 0.00 N ATOM 1462 CA LYS A 99 2.520 4.001 -9.865 1.00 0.00 C ATOM 1463 C LYS A 99 3.756 4.481 -10.621 1.00 0.00 C ATOM 1464 O LYS A 99 4.438 3.699 -11.285 1.00 0.00 O ATOM 1465 CB LYS A 99 2.943 3.213 -8.621 1.00 0.00 C ATOM 1466 CG LYS A 99 3.911 3.963 -7.719 1.00 0.00 C ATOM 1467 CD LYS A 99 4.588 3.026 -6.731 1.00 0.00 C ATOM 1468 CE LYS A 99 5.962 2.599 -7.220 1.00 0.00 C ATOM 1469 NZ LYS A 99 5.879 1.514 -8.236 1.00 0.00 N ATOM 0 H LYS A 99 2.002 2.245 -10.890 1.00 0.00 H new ATOM 0 HA LYS A 99 1.952 4.881 -9.564 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.053 2.953 -8.047 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.405 2.277 -8.935 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.666 4.460 -8.327 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.376 4.742 -7.176 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.682 3.521 -5.765 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.965 2.145 -6.578 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.478 3.458 -7.648 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.559 2.259 -6.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.547 0.756 -7.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 4.913 1.130 -8.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.119 1.897 -9.173 1.00 0.00 H new ATOM 1483 N LEU A 100 4.041 5.773 -10.498 1.00 0.00 N ATOM 1484 CA LEU A 100 5.198 6.377 -11.148 1.00 0.00 C ATOM 1485 C LEU A 100 5.921 7.309 -10.181 1.00 0.00 C ATOM 1486 O LEU A 100 5.301 8.178 -9.566 1.00 0.00 O ATOM 1487 CB LEU A 100 4.771 7.146 -12.399 1.00 0.00 C ATOM 1488 CG LEU A 100 3.941 8.406 -12.136 1.00 0.00 C ATOM 1489 CD1 LEU A 100 4.844 9.624 -12.001 1.00 0.00 C ATOM 1490 CD2 LEU A 100 2.922 8.614 -13.248 1.00 0.00 C ATOM 0 H LEU A 100 3.482 6.426 -9.950 1.00 0.00 H new ATOM 0 HA LEU A 100 5.880 5.580 -11.446 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.665 7.428 -12.956 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.195 6.477 -13.039 1.00 0.00 H new ATOM 0 HG LEU A 100 3.403 8.274 -11.197 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.236 10.509 -11.815 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.533 9.476 -11.170 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.411 9.761 -12.922 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.341 9.514 -13.045 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.440 8.724 -14.201 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.254 7.754 -13.295 1.00 0.00 H new ATOM 1502 N GLY A 101 7.230 7.122 -10.040 1.00 0.00 N ATOM 1503 CA GLY A 101 8.000 7.956 -9.136 1.00 0.00 C ATOM 1504 C GLY A 101 9.439 8.135 -9.579 1.00 0.00 C ATOM 1505 O GLY A 101 9.820 7.705 -10.668 1.00 0.00 O ATOM 0 H GLY A 101 7.769 6.411 -10.534 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.525 8.934 -9.058 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.984 7.514 -8.140 1.00 0.00 H new ATOM 1509 N TYR A 102 10.239 8.772 -8.729 1.00 0.00 N ATOM 1510 CA TYR A 102 11.647 9.012 -9.029 1.00 0.00 C ATOM 1511 C TYR A 102 12.409 9.445 -7.775 1.00 0.00 C ATOM 1512 O TYR A 102 11.874 10.168 -6.936 1.00 0.00 O ATOM 1513 CB TYR A 102 11.784 10.078 -10.117 1.00 0.00 C ATOM 1514 CG TYR A 102 11.151 11.402 -9.753 1.00 0.00 C ATOM 1515 CD1 TYR A 102 11.799 12.293 -8.907 1.00 0.00 C ATOM 1516 CD2 TYR A 102 9.907 11.761 -10.255 1.00 0.00 C ATOM 1517 CE1 TYR A 102 11.225 13.505 -8.572 1.00 0.00 C ATOM 1518 CE2 TYR A 102 9.325 12.970 -9.925 1.00 0.00 C ATOM 1519 CZ TYR A 102 9.989 13.838 -9.083 1.00 0.00 C ATOM 1520 OH TYR A 102 9.413 15.044 -8.751 1.00 0.00 O ATOM 0 H TYR A 102 9.935 9.132 -7.824 1.00 0.00 H new ATOM 0 HA TYR A 102 12.079 8.078 -9.388 1.00 0.00 H new ATOM 0 HB2 TYR A 102 12.842 10.236 -10.327 1.00 0.00 H new ATOM 0 HB3 TYR A 102 11.329 9.708 -11.036 1.00 0.00 H new ATOM 0 HD1 TYR A 102 12.767 12.035 -8.504 1.00 0.00 H new ATOM 0 HD2 TYR A 102 9.385 11.084 -10.915 1.00 0.00 H new ATOM 0 HE1 TYR A 102 11.742 14.187 -7.914 1.00 0.00 H new ATOM 0 HE2 TYR A 102 8.357 13.234 -10.324 1.00 0.00 H new ATOM 0 HH TYR A 102 8.543 15.124 -9.195 1.00 0.00 H new ATOM 1530 N PRO A 103 13.670 9.000 -7.630 1.00 0.00 N ATOM 1531 CA PRO A 103 14.501 9.338 -6.475 1.00 0.00 C ATOM 1532 C PRO A 103 15.232 10.667 -6.637 1.00 0.00 C ATOM 1533 O PRO A 103 15.306 11.217 -7.736 1.00 0.00 O ATOM 1534 CB PRO A 103 15.498 8.184 -6.439 1.00 0.00 C ATOM 1535 CG PRO A 103 15.687 7.810 -7.873 1.00 0.00 C ATOM 1536 CD PRO A 103 14.387 8.123 -8.577 1.00 0.00 C ATOM 0 HA PRO A 103 13.912 9.459 -5.566 1.00 0.00 H new ATOM 0 HB2 PRO A 103 16.439 8.487 -5.980 1.00 0.00 H new ATOM 0 HB3 PRO A 103 15.115 7.346 -5.857 1.00 0.00 H new ATOM 0 HG2 PRO A 103 16.511 8.371 -8.314 1.00 0.00 H new ATOM 0 HG3 PRO A 103 15.934 6.753 -7.968 1.00 0.00 H new ATOM 0 HD2 PRO A 103 14.560 8.622 -9.531 1.00 0.00 H new ATOM 0 HD3 PRO A 103 13.820 7.217 -8.789 1.00 0.00 H new ATOM 1601 N LEU A 108 16.074 9.201 -0.930 1.00 0.00 N ATOM 1602 CA LEU A 108 14.760 9.836 -0.884 1.00 0.00 C ATOM 1603 C LEU A 108 14.127 9.843 -2.271 1.00 0.00 C ATOM 1604 O LEU A 108 14.762 10.236 -3.249 1.00 0.00 O ATOM 1605 CB LEU A 108 14.859 11.274 -0.349 1.00 0.00 C ATOM 1606 CG LEU A 108 16.205 11.665 0.273 1.00 0.00 C ATOM 1607 CD1 LEU A 108 16.466 13.149 0.075 1.00 0.00 C ATOM 1608 CD2 LEU A 108 16.233 11.312 1.753 1.00 0.00 C ATOM 0 HA LEU A 108 14.132 9.259 -0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.645 11.961 -1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 108 14.079 11.417 0.399 1.00 0.00 H new ATOM 0 HG LEU A 108 16.994 11.104 -0.228 1.00 0.00 H new ATOM 0 HD11 LEU A 108 17.425 13.413 0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 108 16.488 13.376 -0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 108 15.673 13.725 0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 108 17.196 11.597 2.177 1.00 0.00 H new ATOM 0 HD22 LEU A 108 15.436 11.847 2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.087 10.239 1.874 1.00 0.00 H new ATOM 1620 N ASP A 109 12.877 9.397 -2.358 1.00 0.00 N ATOM 1621 CA ASP A 109 12.180 9.353 -3.639 1.00 0.00 C ATOM 1622 C ASP A 109 10.694 9.662 -3.483 1.00 0.00 C ATOM 1623 O ASP A 109 10.127 9.515 -2.401 1.00 0.00 O ATOM 1624 CB ASP A 109 12.355 7.980 -4.289 1.00 0.00 C ATOM 1625 CG ASP A 109 11.768 6.863 -3.451 1.00 0.00 C ATOM 1626 OD1 ASP A 109 12.501 6.304 -2.607 1.00 0.00 O ATOM 1627 OD2 ASP A 109 10.574 6.546 -3.636 1.00 0.00 O ATOM 0 H ASP A 109 12.330 9.064 -1.564 1.00 0.00 H new ATOM 0 HA ASP A 109 12.619 10.119 -4.278 1.00 0.00 H new ATOM 0 HB2 ASP A 109 11.879 7.983 -5.270 1.00 0.00 H new ATOM 0 HB3 ASP A 109 13.416 7.790 -4.450 1.00 0.00 H new ATOM 1632 N ILE A 110 10.072 10.082 -4.580 1.00 0.00 N ATOM 1633 CA ILE A 110 8.651 10.404 -4.585 1.00 0.00 C ATOM 1634 C ILE A 110 7.887 9.435 -5.485 1.00 0.00 C ATOM 1635 O ILE A 110 8.426 8.951 -6.482 1.00 0.00 O ATOM 1636 CB ILE A 110 8.400 11.853 -5.059 1.00 0.00 C ATOM 1637 CG1 ILE A 110 8.756 12.011 -6.542 1.00 0.00 C ATOM 1638 CG2 ILE A 110 9.198 12.834 -4.210 1.00 0.00 C ATOM 1639 CD1 ILE A 110 7.606 12.519 -7.385 1.00 0.00 C ATOM 0 H ILE A 110 10.533 10.207 -5.481 1.00 0.00 H new ATOM 0 HA ILE A 110 8.292 10.309 -3.560 1.00 0.00 H new ATOM 0 HB ILE A 110 7.339 12.073 -4.940 1.00 0.00 H new ATOM 0 HG12 ILE A 110 9.597 12.699 -6.635 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.086 11.049 -6.933 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.011 13.851 -4.556 1.00 0.00 H new ATOM 0 HG22 ILE A 110 8.894 12.744 -3.167 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.261 12.611 -4.298 1.00 0.00 H new ATOM 0 HD11 ILE A 110 7.927 12.607 -8.423 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.772 11.820 -7.321 1.00 0.00 H new ATOM 0 HD13 ILE A 110 7.290 13.496 -7.019 1.00 0.00 H new ATOM 1651 N TYR A 111 6.640 9.146 -5.129 1.00 0.00 N ATOM 1652 CA TYR A 111 5.828 8.224 -5.913 1.00 0.00 C ATOM 1653 C TYR A 111 4.372 8.674 -5.978 1.00 0.00 C ATOM 1654 O TYR A 111 3.824 9.195 -5.008 1.00 0.00 O ATOM 1655 CB TYR A 111 5.906 6.818 -5.316 1.00 0.00 C ATOM 1656 CG TYR A 111 5.505 6.758 -3.860 1.00 0.00 C ATOM 1657 CD1 TYR A 111 4.171 6.851 -3.482 1.00 0.00 C ATOM 1658 CD2 TYR A 111 6.460 6.611 -2.862 1.00 0.00 C ATOM 1659 CE1 TYR A 111 3.801 6.800 -2.153 1.00 0.00 C ATOM 1660 CE2 TYR A 111 6.098 6.558 -1.530 1.00 0.00 C ATOM 1661 CZ TYR A 111 4.768 6.653 -1.180 1.00 0.00 C ATOM 1662 OH TYR A 111 4.404 6.602 0.146 1.00 0.00 O ATOM 0 H TYR A 111 6.173 9.534 -4.309 1.00 0.00 H new ATOM 0 HA TYR A 111 6.225 8.214 -6.928 1.00 0.00 H new ATOM 0 HB2 TYR A 111 5.262 6.152 -5.890 1.00 0.00 H new ATOM 0 HB3 TYR A 111 6.924 6.444 -5.420 1.00 0.00 H new ATOM 0 HD1 TYR A 111 3.411 6.965 -4.241 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.503 6.537 -3.132 1.00 0.00 H new ATOM 0 HE1 TYR A 111 2.760 6.875 -1.876 1.00 0.00 H new ATOM 0 HE2 TYR A 111 6.853 6.443 -0.767 1.00 0.00 H new ATOM 0 HH TYR A 111 3.439 6.444 0.215 1.00 0.00 H new ATOM 1672 N THR A 112 3.752 8.455 -7.134 1.00 0.00 N ATOM 1673 CA THR A 112 2.356 8.819 -7.342 1.00 0.00 C ATOM 1674 C THR A 112 1.637 7.720 -8.114 1.00 0.00 C ATOM 1675 O THR A 112 2.094 7.298 -9.177 1.00 0.00 O ATOM 1676 CB THR A 112 2.257 10.144 -8.099 1.00 0.00 C ATOM 1677 OG1 THR A 112 2.756 10.007 -9.417 1.00 0.00 O ATOM 1678 CG2 THR A 112 3.018 11.273 -7.436 1.00 0.00 C ATOM 0 H THR A 112 4.198 8.025 -7.944 1.00 0.00 H new ATOM 0 HA THR A 112 1.879 8.938 -6.369 1.00 0.00 H new ATOM 0 HB THR A 112 1.196 10.395 -8.101 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.601 9.511 -9.397 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.905 12.183 -8.025 1.00 0.00 H new ATOM 0 HG22 THR A 112 2.623 11.438 -6.434 1.00 0.00 H new ATOM 0 HG23 THR A 112 4.074 11.011 -7.371 1.00 0.00 H new ATOM 1686 N ARG A 113 0.519 7.248 -7.572 1.00 0.00 N ATOM 1687 CA ARG A 113 -0.243 6.183 -8.216 1.00 0.00 C ATOM 1688 C ARG A 113 -1.672 6.622 -8.525 1.00 0.00 C ATOM 1689 O ARG A 113 -2.324 7.278 -7.711 1.00 0.00 O ATOM 1690 CB ARG A 113 -0.262 4.930 -7.336 1.00 0.00 C ATOM 1691 CG ARG A 113 -0.215 5.221 -5.844 1.00 0.00 C ATOM 1692 CD ARG A 113 1.212 5.422 -5.360 1.00 0.00 C ATOM 1693 NE ARG A 113 1.860 4.157 -5.023 1.00 0.00 N ATOM 1694 CZ ARG A 113 1.720 3.540 -3.852 1.00 0.00 C ATOM 1695 NH1 ARG A 113 0.948 4.060 -2.906 1.00 0.00 N ATOM 1696 NH2 ARG A 113 2.352 2.395 -3.627 1.00 0.00 N ATOM 0 H ARG A 113 0.122 7.583 -6.694 1.00 0.00 H new ATOM 0 HA ARG A 113 0.251 5.952 -9.160 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -1.163 4.358 -7.556 1.00 0.00 H new ATOM 0 HB3 ARG A 113 0.588 4.300 -7.600 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -0.803 6.113 -5.628 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -0.673 4.397 -5.297 1.00 0.00 H new ATOM 0 HD2 ARG A 113 1.789 5.930 -6.133 1.00 0.00 H new ATOM 0 HD3 ARG A 113 1.210 6.072 -4.485 1.00 0.00 H new ATOM 0 HE ARG A 113 2.455 3.721 -5.727 1.00 0.00 H new ATOM 0 HH11 ARG A 113 0.457 4.938 -3.074 1.00 0.00 H new ATOM 0 HH12 ARG A 113 0.846 3.581 -2.011 1.00 0.00 H new ATOM 0 HH21 ARG A 113 2.944 1.989 -4.351 1.00 0.00 H new ATOM 0 HH22 ARG A 113 2.245 1.921 -2.730 1.00 0.00 H new ATOM 1710 N LEU A 114 -2.149 6.244 -9.708 1.00 0.00 N ATOM 1711 CA LEU A 114 -3.501 6.581 -10.140 1.00 0.00 C ATOM 1712 C LEU A 114 -4.227 5.333 -10.633 1.00 0.00 C ATOM 1713 O LEU A 114 -3.752 4.647 -11.540 1.00 0.00 O ATOM 1714 CB LEU A 114 -3.453 7.632 -11.254 1.00 0.00 C ATOM 1715 CG LEU A 114 -4.815 8.043 -11.825 1.00 0.00 C ATOM 1716 CD1 LEU A 114 -4.822 9.523 -12.183 1.00 0.00 C ATOM 1717 CD2 LEU A 114 -5.158 7.200 -13.043 1.00 0.00 C ATOM 0 H LEU A 114 -1.615 5.701 -10.387 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.045 6.991 -9.289 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.955 8.522 -10.870 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.837 7.248 -12.067 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.573 7.871 -11.061 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -5.797 9.795 -12.587 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -4.621 10.114 -11.290 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -4.053 9.720 -12.929 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.128 7.505 -13.435 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.396 7.341 -13.809 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.196 6.148 -12.759 1.00 0.00 H new ATOM 1729 N GLY A 115 -5.375 5.031 -10.027 1.00 0.00 N ATOM 1730 CA GLY A 115 -6.130 3.858 -10.426 1.00 0.00 C ATOM 1731 C GLY A 115 -7.434 3.715 -9.667 1.00 0.00 C ATOM 1732 O GLY A 115 -8.111 4.705 -9.392 1.00 0.00 O ATOM 0 H GLY A 115 -5.792 5.575 -9.272 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -6.340 3.912 -11.494 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -5.522 2.968 -10.266 1.00 0.00 H new ATOM 1736 N GLY A 116 -7.791 2.478 -9.328 1.00 0.00 N ATOM 1737 CA GLY A 116 -9.025 2.242 -8.603 1.00 0.00 C ATOM 1738 C GLY A 116 -8.904 1.129 -7.583 1.00 0.00 C ATOM 1739 O GLY A 116 -7.916 0.395 -7.565 1.00 0.00 O ATOM 0 H GLY A 116 -7.250 1.640 -9.542 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -9.325 3.160 -8.098 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -9.815 1.995 -9.312 1.00 0.00 H new ATOM 1743 N MET A 117 -9.916 1.005 -6.730 1.00 0.00 N ATOM 1744 CA MET A 117 -9.926 -0.024 -5.697 1.00 0.00 C ATOM 1745 C MET A 117 -11.198 -0.860 -5.775 1.00 0.00 C ATOM 1746 O MET A 117 -12.284 -0.338 -6.044 1.00 0.00 O ATOM 1747 CB MET A 117 -9.805 0.614 -4.313 1.00 0.00 C ATOM 1748 CG MET A 117 -9.483 -0.382 -3.211 1.00 0.00 C ATOM 1749 SD MET A 117 -10.960 -1.127 -2.493 1.00 0.00 S ATOM 1750 CE MET A 117 -11.631 0.261 -1.580 1.00 0.00 C ATOM 0 H MET A 117 -10.741 1.605 -6.734 1.00 0.00 H new ATOM 0 HA MET A 117 -9.071 -0.680 -5.863 1.00 0.00 H new ATOM 0 HB2 MET A 117 -9.027 1.377 -4.340 1.00 0.00 H new ATOM 0 HB3 MET A 117 -10.740 1.120 -4.072 1.00 0.00 H new ATOM 0 HG2 MET A 117 -8.843 -1.168 -3.613 1.00 0.00 H new ATOM 0 HG3 MET A 117 -8.917 0.120 -2.427 1.00 0.00 H new ATOM 0 HE1 MET A 117 -12.290 -0.106 -0.793 1.00 0.00 H new ATOM 0 HE2 MET A 117 -10.816 0.832 -1.135 1.00 0.00 H new ATOM 0 HE3 MET A 117 -12.196 0.902 -2.256 1.00 0.00 H new ATOM 1760 N VAL A 118 -11.056 -2.161 -5.539 1.00 0.00 N ATOM 1761 CA VAL A 118 -12.189 -3.079 -5.578 1.00 0.00 C ATOM 1762 C VAL A 118 -12.271 -3.891 -4.291 1.00 0.00 C ATOM 1763 O VAL A 118 -11.276 -4.466 -3.846 1.00 0.00 O ATOM 1764 CB VAL A 118 -12.097 -4.048 -6.777 1.00 0.00 C ATOM 1765 CG1 VAL A 118 -13.476 -4.578 -7.138 1.00 0.00 C ATOM 1766 CG2 VAL A 118 -11.447 -3.369 -7.977 1.00 0.00 C ATOM 0 H VAL A 118 -10.164 -2.604 -5.318 1.00 0.00 H new ATOM 0 HA VAL A 118 -13.086 -2.470 -5.687 1.00 0.00 H new ATOM 0 HB VAL A 118 -11.469 -4.891 -6.488 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -13.394 -5.259 -7.985 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -13.897 -5.109 -6.284 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -14.128 -3.746 -7.404 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -11.394 -4.072 -8.808 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -12.041 -2.504 -8.271 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -10.441 -3.045 -7.711 1.00 0.00 H new ATOM 1776 N TRP A 119 -13.456 -3.936 -3.692 1.00 0.00 N ATOM 1777 CA TRP A 119 -13.658 -4.678 -2.453 1.00 0.00 C ATOM 1778 C TRP A 119 -14.973 -5.449 -2.485 1.00 0.00 C ATOM 1779 O TRP A 119 -15.766 -5.307 -3.417 1.00 0.00 O ATOM 1780 CB TRP A 119 -13.640 -3.727 -1.257 1.00 0.00 C ATOM 1781 CG TRP A 119 -14.525 -2.531 -1.433 1.00 0.00 C ATOM 1782 CD1 TRP A 119 -14.367 -1.521 -2.338 1.00 0.00 C ATOM 1783 CD2 TRP A 119 -15.705 -2.220 -0.684 1.00 0.00 C ATOM 1784 NE1 TRP A 119 -15.378 -0.600 -2.200 1.00 0.00 N ATOM 1785 CE2 TRP A 119 -16.211 -1.007 -1.191 1.00 0.00 C ATOM 1786 CE3 TRP A 119 -16.384 -2.848 0.363 1.00 0.00 C ATOM 1787 CZ2 TRP A 119 -17.364 -0.411 -0.683 1.00 0.00 C ATOM 1788 CZ3 TRP A 119 -17.529 -2.256 0.865 1.00 0.00 C ATOM 1789 CH2 TRP A 119 -18.008 -1.049 0.343 1.00 0.00 C ATOM 0 H TRP A 119 -14.291 -3.468 -4.044 1.00 0.00 H new ATOM 0 HA TRP A 119 -12.843 -5.394 -2.352 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -13.951 -4.271 -0.365 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -12.617 -3.391 -1.085 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -13.564 -1.455 -3.058 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -15.490 0.247 -2.757 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -16.021 -3.779 0.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -17.736 0.520 -1.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -18.062 -2.733 1.674 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -18.904 -0.612 0.758 1.00 0.00 H new ATOM 2091 N VAL A 141 -16.586 -0.761 -5.722 1.00 0.00 N ATOM 2092 CA VAL A 141 -15.574 -0.238 -6.635 1.00 0.00 C ATOM 2093 C VAL A 141 -15.512 1.285 -6.571 1.00 0.00 C ATOM 2094 O VAL A 141 -16.541 1.957 -6.623 1.00 0.00 O ATOM 2095 CB VAL A 141 -15.855 -0.675 -8.087 1.00 0.00 C ATOM 2096 CG1 VAL A 141 -17.211 -0.164 -8.547 1.00 0.00 C ATOM 2097 CG2 VAL A 141 -14.751 -0.189 -9.016 1.00 0.00 C ATOM 0 HA VAL A 141 -14.614 -0.648 -6.320 1.00 0.00 H new ATOM 0 HB VAL A 141 -15.873 -1.764 -8.120 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -17.391 -0.483 -9.574 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -17.990 -0.567 -7.900 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -17.226 0.925 -8.497 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -14.967 -0.507 -10.036 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -14.697 0.899 -8.979 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -13.797 -0.610 -8.699 1.00 0.00 H new ATOM 2107 N SER A 142 -14.302 1.826 -6.456 1.00 0.00 N ATOM 2108 CA SER A 142 -14.126 3.273 -6.385 1.00 0.00 C ATOM 2109 C SER A 142 -12.717 3.685 -6.816 1.00 0.00 C ATOM 2110 O SER A 142 -11.730 3.112 -6.356 1.00 0.00 O ATOM 2111 CB SER A 142 -14.395 3.765 -4.962 1.00 0.00 C ATOM 2112 OG SER A 142 -13.818 2.897 -4.002 1.00 0.00 O ATOM 0 H SER A 142 -13.436 1.289 -6.410 1.00 0.00 H new ATOM 0 HA SER A 142 -14.839 3.731 -7.070 1.00 0.00 H new ATOM 0 HB2 SER A 142 -13.989 4.769 -4.839 1.00 0.00 H new ATOM 0 HB3 SER A 142 -15.470 3.833 -4.795 1.00 0.00 H new ATOM 0 HG SER A 142 -14.003 3.236 -3.101 1.00 0.00 H new ATOM 2118 N PRO A 143 -12.600 4.694 -7.705 1.00 0.00 N ATOM 2119 CA PRO A 143 -11.303 5.180 -8.183 1.00 0.00 C ATOM 2120 C PRO A 143 -10.576 5.994 -7.118 1.00 0.00 C ATOM 2121 O PRO A 143 -11.211 6.633 -6.279 1.00 0.00 O ATOM 2122 CB PRO A 143 -11.656 6.072 -9.385 1.00 0.00 C ATOM 2123 CG PRO A 143 -13.122 5.887 -9.619 1.00 0.00 C ATOM 2124 CD PRO A 143 -13.706 5.446 -8.309 1.00 0.00 C ATOM 0 HA PRO A 143 -10.633 4.359 -8.438 1.00 0.00 H new ATOM 0 HB2 PRO A 143 -11.423 7.116 -9.178 1.00 0.00 H new ATOM 0 HB3 PRO A 143 -11.081 5.786 -10.266 1.00 0.00 H new ATOM 0 HG2 PRO A 143 -13.582 6.816 -9.957 1.00 0.00 H new ATOM 0 HG3 PRO A 143 -13.301 5.142 -10.395 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -14.005 6.294 -7.692 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -14.591 4.825 -8.448 1.00 0.00 H new ATOM 2132 N VAL A 144 -9.246 5.972 -7.152 1.00 0.00 N ATOM 2133 CA VAL A 144 -8.456 6.715 -6.177 1.00 0.00 C ATOM 2134 C VAL A 144 -7.060 7.035 -6.703 1.00 0.00 C ATOM 2135 O VAL A 144 -6.592 6.436 -7.675 1.00 0.00 O ATOM 2136 CB VAL A 144 -8.321 5.942 -4.851 1.00 0.00 C ATOM 2137 CG1 VAL A 144 -9.681 5.766 -4.194 1.00 0.00 C ATOM 2138 CG2 VAL A 144 -7.651 4.593 -5.083 1.00 0.00 C ATOM 0 H VAL A 144 -8.698 5.453 -7.838 1.00 0.00 H new ATOM 0 HA VAL A 144 -8.992 7.647 -5.999 1.00 0.00 H new ATOM 0 HB VAL A 144 -7.691 6.522 -4.176 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -9.565 5.218 -3.259 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -10.116 6.744 -3.990 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -10.338 5.209 -4.862 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -7.565 4.062 -4.135 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -8.251 4.003 -5.776 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -6.658 4.748 -5.504 1.00 0.00 H new ATOM 2148 N PHE A 145 -6.400 7.982 -6.044 1.00 0.00 N ATOM 2149 CA PHE A 145 -5.054 8.394 -6.420 1.00 0.00 C ATOM 2150 C PHE A 145 -4.187 8.564 -5.176 1.00 0.00 C ATOM 2151 O PHE A 145 -4.485 9.387 -4.311 1.00 0.00 O ATOM 2152 CB PHE A 145 -5.106 9.704 -7.208 1.00 0.00 C ATOM 2153 CG PHE A 145 -3.764 10.173 -7.693 1.00 0.00 C ATOM 2154 CD1 PHE A 145 -2.825 10.670 -6.803 1.00 0.00 C ATOM 2155 CD2 PHE A 145 -3.443 10.120 -9.039 1.00 0.00 C ATOM 2156 CE1 PHE A 145 -1.592 11.103 -7.248 1.00 0.00 C ATOM 2157 CE2 PHE A 145 -2.211 10.553 -9.490 1.00 0.00 C ATOM 2158 CZ PHE A 145 -1.284 11.046 -8.592 1.00 0.00 C ATOM 0 H PHE A 145 -6.780 8.482 -5.240 1.00 0.00 H new ATOM 0 HA PHE A 145 -4.614 7.621 -7.050 1.00 0.00 H new ATOM 0 HB2 PHE A 145 -5.767 9.576 -8.065 1.00 0.00 H new ATOM 0 HB3 PHE A 145 -5.546 10.478 -6.579 1.00 0.00 H new ATOM 0 HD1 PHE A 145 -3.060 10.719 -5.750 1.00 0.00 H new ATOM 0 HD2 PHE A 145 -4.164 9.736 -9.745 1.00 0.00 H new ATOM 0 HE1 PHE A 145 -0.868 11.486 -6.544 1.00 0.00 H new ATOM 0 HE2 PHE A 145 -1.973 10.506 -10.542 1.00 0.00 H new ATOM 0 HZ PHE A 145 -0.320 11.386 -8.941 1.00 0.00 H new ATOM 2168 N ALA A 146 -3.119 7.779 -5.087 1.00 0.00 N ATOM 2169 CA ALA A 146 -2.220 7.844 -3.942 1.00 0.00 C ATOM 2170 C ALA A 146 -0.933 8.583 -4.289 1.00 0.00 C ATOM 2171 O ALA A 146 -0.252 8.247 -5.258 1.00 0.00 O ATOM 2172 CB ALA A 146 -1.908 6.444 -3.436 1.00 0.00 C ATOM 0 H ALA A 146 -2.855 7.092 -5.793 1.00 0.00 H new ATOM 0 HA ALA A 146 -2.722 8.402 -3.152 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -1.235 6.508 -2.581 1.00 0.00 H new ATOM 0 HB2 ALA A 146 -2.833 5.952 -3.135 1.00 0.00 H new ATOM 0 HB3 ALA A 146 -1.432 5.868 -4.230 1.00 0.00 H new ATOM 2178 N GLY A 147 -0.604 9.592 -3.487 1.00 0.00 N ATOM 2179 CA GLY A 147 0.603 10.362 -3.722 1.00 0.00 C ATOM 2180 C GLY A 147 1.390 10.594 -2.449 1.00 0.00 C ATOM 2181 O GLY A 147 0.857 11.112 -1.467 1.00 0.00 O ATOM 0 H GLY A 147 -1.152 9.889 -2.680 1.00 0.00 H new ATOM 0 HA2 GLY A 147 1.230 9.840 -4.445 1.00 0.00 H new ATOM 0 HA3 GLY A 147 0.339 11.323 -4.164 1.00 0.00 H new ATOM 2185 N GLY A 148 2.662 10.206 -2.460 1.00 0.00 N ATOM 2186 CA GLY A 148 3.496 10.383 -1.286 1.00 0.00 C ATOM 2187 C GLY A 148 4.976 10.305 -1.603 1.00 0.00 C ATOM 2188 O GLY A 148 5.385 10.467 -2.753 1.00 0.00 O ATOM 0 H GLY A 148 3.128 9.774 -3.258 1.00 0.00 H new ATOM 0 HA2 GLY A 148 3.276 11.349 -0.832 1.00 0.00 H new ATOM 0 HA3 GLY A 148 3.246 9.620 -0.549 1.00 0.00 H new ATOM 2192 N VAL A 149 5.781 10.056 -0.574 1.00 0.00 N ATOM 2193 CA VAL A 149 7.227 9.957 -0.740 1.00 0.00 C ATOM 2194 C VAL A 149 7.780 8.747 0.009 1.00 0.00 C ATOM 2195 O VAL A 149 7.110 8.185 0.875 1.00 0.00 O ATOM 2196 CB VAL A 149 7.937 11.230 -0.239 1.00 0.00 C ATOM 2197 CG1 VAL A 149 7.737 12.378 -1.220 1.00 0.00 C ATOM 2198 CG2 VAL A 149 7.436 11.609 1.146 1.00 0.00 C ATOM 0 H VAL A 149 5.456 9.919 0.383 1.00 0.00 H new ATOM 0 HA VAL A 149 7.420 9.841 -1.806 1.00 0.00 H new ATOM 0 HB VAL A 149 9.005 11.025 -0.171 1.00 0.00 H new ATOM 0 HG11 VAL A 149 8.246 13.267 -0.848 1.00 0.00 H new ATOM 0 HG12 VAL A 149 8.150 12.103 -2.191 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.672 12.586 -1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 149 7.948 12.510 1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 149 6.363 11.795 1.106 1.00 0.00 H new ATOM 0 HG23 VAL A 149 7.638 10.794 1.841 1.00 0.00 H new ATOM 2208 N GLU A 150 9.003 8.347 -0.330 1.00 0.00 N ATOM 2209 CA GLU A 150 9.635 7.202 0.314 1.00 0.00 C ATOM 2210 C GLU A 150 11.019 7.564 0.842 1.00 0.00 C ATOM 2211 O GLU A 150 11.759 8.324 0.212 1.00 0.00 O ATOM 2212 CB GLU A 150 9.740 6.034 -0.667 1.00 0.00 C ATOM 2213 CG GLU A 150 10.135 4.720 -0.011 1.00 0.00 C ATOM 2214 CD GLU A 150 9.346 3.541 -0.544 1.00 0.00 C ATOM 2215 OE1 GLU A 150 8.990 3.558 -1.741 1.00 0.00 O ATOM 2216 OE2 GLU A 150 9.086 2.599 0.235 1.00 0.00 O ATOM 0 H GLU A 150 9.574 8.798 -1.045 1.00 0.00 H new ATOM 0 HA GLU A 150 9.013 6.905 1.159 1.00 0.00 H new ATOM 0 HB2 GLU A 150 8.781 5.906 -1.170 1.00 0.00 H new ATOM 0 HB3 GLU A 150 10.472 6.281 -1.436 1.00 0.00 H new ATOM 0 HG2 GLU A 150 11.198 4.543 -0.172 1.00 0.00 H new ATOM 0 HG3 GLU A 150 9.984 4.796 1.066 1.00 0.00 H new ATOM 2223 N TRP A 151 11.362 7.011 2.003 1.00 0.00 N ATOM 2224 CA TRP A 151 12.654 7.267 2.628 1.00 0.00 C ATOM 2225 C TRP A 151 13.367 5.956 2.947 1.00 0.00 C ATOM 2226 O TRP A 151 12.862 5.135 3.712 1.00 0.00 O ATOM 2227 CB TRP A 151 12.469 8.086 3.905 1.00 0.00 C ATOM 2228 CG TRP A 151 13.733 8.725 4.393 1.00 0.00 C ATOM 2229 CD1 TRP A 151 14.741 9.237 3.629 1.00 0.00 C ATOM 2230 CD2 TRP A 151 14.127 8.920 5.758 1.00 0.00 C ATOM 2231 NE1 TRP A 151 15.736 9.739 4.432 1.00 0.00 N ATOM 2232 CE2 TRP A 151 15.383 9.555 5.744 1.00 0.00 C ATOM 2233 CE3 TRP A 151 13.538 8.618 6.989 1.00 0.00 C ATOM 2234 CZ2 TRP A 151 16.058 9.894 6.913 1.00 0.00 C ATOM 2235 CZ3 TRP A 151 14.210 8.955 8.148 1.00 0.00 C ATOM 2236 CH2 TRP A 151 15.458 9.588 8.104 1.00 0.00 C ATOM 0 H TRP A 151 10.759 6.380 2.531 1.00 0.00 H new ATOM 0 HA TRP A 151 13.268 7.834 1.928 1.00 0.00 H new ATOM 0 HB2 TRP A 151 11.725 8.862 3.725 1.00 0.00 H new ATOM 0 HB3 TRP A 151 12.072 7.439 4.688 1.00 0.00 H new ATOM 0 HD1 TRP A 151 14.755 9.246 2.549 1.00 0.00 H new ATOM 0 HE1 TRP A 151 16.597 10.177 4.105 1.00 0.00 H new ATOM 0 HE3 TRP A 151 12.575 8.130 7.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 151 17.021 10.381 6.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 151 13.765 8.726 9.105 1.00 0.00 H new ATOM 0 HH2 TRP A 151 15.957 9.840 9.028 1.00 0.00 H new ATOM 2247 N ALA A 152 14.540 5.765 2.352 1.00 0.00 N ATOM 2248 CA ALA A 152 15.320 4.551 2.571 1.00 0.00 C ATOM 2249 C ALA A 152 16.284 4.713 3.741 1.00 0.00 C ATOM 2250 O ALA A 152 16.941 5.745 3.878 1.00 0.00 O ATOM 2251 CB ALA A 152 16.079 4.179 1.306 1.00 0.00 C ATOM 0 H ALA A 152 14.972 6.434 1.715 1.00 0.00 H new ATOM 0 HA ALA A 152 14.628 3.746 2.819 1.00 0.00 H new ATOM 0 HB1 ALA A 152 16.657 3.272 1.482 1.00 0.00 H new ATOM 0 HB2 ALA A 152 15.372 4.007 0.495 1.00 0.00 H new ATOM 0 HB3 ALA A 152 16.753 4.991 1.034 1.00 0.00 H new ATOM 2257 N VAL A 153 16.370 3.681 4.575 1.00 0.00 N ATOM 2258 CA VAL A 153 17.260 3.704 5.729 1.00 0.00 C ATOM 2259 C VAL A 153 18.365 2.666 5.572 1.00 0.00 C ATOM 2260 O VAL A 153 19.548 2.977 5.701 1.00 0.00 O ATOM 2261 CB VAL A 153 16.492 3.432 7.040 1.00 0.00 C ATOM 2262 CG1 VAL A 153 17.430 3.497 8.237 1.00 0.00 C ATOM 2263 CG2 VAL A 153 15.347 4.421 7.198 1.00 0.00 C ATOM 0 H VAL A 153 15.834 2.819 4.473 1.00 0.00 H new ATOM 0 HA VAL A 153 17.698 4.701 5.781 1.00 0.00 H new ATOM 0 HB VAL A 153 16.074 2.426 6.993 1.00 0.00 H new ATOM 0 HG11 VAL A 153 16.868 3.302 9.151 1.00 0.00 H new ATOM 0 HG12 VAL A 153 18.214 2.747 8.126 1.00 0.00 H new ATOM 0 HG13 VAL A 153 17.881 4.488 8.293 1.00 0.00 H new ATOM 0 HG21 VAL A 153 14.815 4.216 8.127 1.00 0.00 H new ATOM 0 HG22 VAL A 153 15.744 5.436 7.223 1.00 0.00 H new ATOM 0 HG23 VAL A 153 14.661 4.320 6.357 1.00 0.00 H new ATOM 2323 N ILE A 157 15.347 -2.148 3.520 1.00 0.00 N ATOM 2324 CA ILE A 157 14.167 -1.699 4.250 1.00 0.00 C ATOM 2325 C ILE A 157 14.024 -0.182 4.211 1.00 0.00 C ATOM 2326 O ILE A 157 14.928 0.549 4.618 1.00 0.00 O ATOM 2327 CB ILE A 157 14.207 -2.163 5.719 1.00 0.00 C ATOM 2328 CG1 ILE A 157 14.520 -3.659 5.796 1.00 0.00 C ATOM 2329 CG2 ILE A 157 12.887 -1.855 6.410 1.00 0.00 C ATOM 2330 CD1 ILE A 157 14.999 -4.108 7.159 1.00 0.00 C ATOM 0 HA ILE A 157 13.306 -2.148 3.754 1.00 0.00 H new ATOM 0 HB ILE A 157 14.998 -1.619 6.234 1.00 0.00 H new ATOM 0 HG12 ILE A 157 13.626 -4.223 5.530 1.00 0.00 H new ATOM 0 HG13 ILE A 157 15.281 -3.901 5.055 1.00 0.00 H new ATOM 0 HG21 ILE A 157 12.932 -2.189 7.447 1.00 0.00 H new ATOM 0 HG22 ILE A 157 12.704 -0.781 6.383 1.00 0.00 H new ATOM 0 HG23 ILE A 157 12.078 -2.374 5.897 1.00 0.00 H new ATOM 0 HD11 ILE A 157 15.201 -5.179 7.139 1.00 0.00 H new ATOM 0 HD12 ILE A 157 15.911 -3.571 7.419 1.00 0.00 H new ATOM 0 HD13 ILE A 157 14.230 -3.898 7.902 1.00 0.00 H new ATOM 2342 N ALA A 158 12.879 0.283 3.721 1.00 0.00 N ATOM 2343 CA ALA A 158 12.607 1.713 3.630 1.00 0.00 C ATOM 2344 C ALA A 158 11.193 2.032 4.107 1.00 0.00 C ATOM 2345 O ALA A 158 10.307 1.177 4.075 1.00 0.00 O ATOM 2346 CB ALA A 158 12.805 2.195 2.201 1.00 0.00 C ATOM 0 H ALA A 158 12.123 -0.311 3.380 1.00 0.00 H new ATOM 0 HA ALA A 158 13.309 2.236 4.280 1.00 0.00 H new ATOM 0 HB1 ALA A 158 12.599 3.264 2.146 1.00 0.00 H new ATOM 0 HB2 ALA A 158 13.834 2.007 1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 158 12.124 1.660 1.539 1.00 0.00 H new ATOM 2352 N THR A 159 10.986 3.272 4.540 1.00 0.00 N ATOM 2353 CA THR A 159 9.680 3.712 5.017 1.00 0.00 C ATOM 2354 C THR A 159 9.150 4.833 4.132 1.00 0.00 C ATOM 2355 O THR A 159 9.909 5.699 3.699 1.00 0.00 O ATOM 2356 CB THR A 159 9.773 4.187 6.467 1.00 0.00 C ATOM 2357 OG1 THR A 159 8.585 4.857 6.852 1.00 0.00 O ATOM 2358 CG2 THR A 159 10.932 5.128 6.716 1.00 0.00 C ATOM 0 H THR A 159 11.708 3.991 4.570 1.00 0.00 H new ATOM 0 HA THR A 159 8.991 2.869 4.971 1.00 0.00 H new ATOM 0 HB THR A 159 9.927 3.284 7.057 1.00 0.00 H new ATOM 0 HG1 THR A 159 8.663 5.152 7.783 1.00 0.00 H new ATOM 0 HG21 THR A 159 10.940 5.427 7.764 1.00 0.00 H new ATOM 0 HG22 THR A 159 11.868 4.624 6.476 1.00 0.00 H new ATOM 0 HG23 THR A 159 10.824 6.012 6.088 1.00 0.00 H new ATOM 2366 N ARG A 160 7.851 4.813 3.853 1.00 0.00 N ATOM 2367 CA ARG A 160 7.250 5.833 3.003 1.00 0.00 C ATOM 2368 C ARG A 160 5.945 6.368 3.583 1.00 0.00 C ATOM 2369 O ARG A 160 5.224 5.665 4.296 1.00 0.00 O ATOM 2370 CB ARG A 160 6.999 5.268 1.604 1.00 0.00 C ATOM 2371 CG ARG A 160 6.389 3.874 1.609 1.00 0.00 C ATOM 2372 CD ARG A 160 5.090 3.826 0.821 1.00 0.00 C ATOM 2373 NE ARG A 160 4.784 2.478 0.350 1.00 0.00 N ATOM 2374 CZ ARG A 160 5.331 1.928 -0.733 1.00 0.00 C ATOM 2375 NH1 ARG A 160 6.213 2.607 -1.457 1.00 0.00 N ATOM 2376 NH2 ARG A 160 4.997 0.696 -1.091 1.00 0.00 N ATOM 0 H ARG A 160 7.200 4.109 4.199 1.00 0.00 H new ATOM 0 HA ARG A 160 7.953 6.664 2.946 1.00 0.00 H new ATOM 0 HB2 ARG A 160 6.337 5.943 1.062 1.00 0.00 H new ATOM 0 HB3 ARG A 160 7.942 5.241 1.058 1.00 0.00 H new ATOM 0 HG2 ARG A 160 7.099 3.165 1.184 1.00 0.00 H new ATOM 0 HG3 ARG A 160 6.203 3.562 2.637 1.00 0.00 H new ATOM 0 HD2 ARG A 160 4.273 4.185 1.447 1.00 0.00 H new ATOM 0 HD3 ARG A 160 5.159 4.501 -0.032 1.00 0.00 H new ATOM 0 HE ARG A 160 4.112 1.925 0.882 1.00 0.00 H new ATOM 0 HH11 ARG A 160 6.475 3.555 -1.185 1.00 0.00 H new ATOM 0 HH12 ARG A 160 6.629 2.181 -2.285 1.00 0.00 H new ATOM 0 HH21 ARG A 160 4.321 0.169 -0.537 1.00 0.00 H new ATOM 0 HH22 ARG A 160 5.416 0.275 -1.920 1.00 0.00 H new ATOM 2390 N LEU A 161 5.648 7.622 3.249 1.00 0.00 N ATOM 2391 CA LEU A 161 4.430 8.282 3.700 1.00 0.00 C ATOM 2392 C LEU A 161 3.516 8.546 2.508 1.00 0.00 C ATOM 2393 O LEU A 161 3.931 9.161 1.522 1.00 0.00 O ATOM 2394 CB LEU A 161 4.768 9.598 4.408 1.00 0.00 C ATOM 2395 CG LEU A 161 3.951 9.887 5.671 1.00 0.00 C ATOM 2396 CD1 LEU A 161 4.663 10.907 6.546 1.00 0.00 C ATOM 2397 CD2 LEU A 161 2.559 10.379 5.301 1.00 0.00 C ATOM 0 H LEU A 161 6.243 8.205 2.661 1.00 0.00 H new ATOM 0 HA LEU A 161 3.916 7.631 4.407 1.00 0.00 H new ATOM 0 HB2 LEU A 161 5.825 9.589 4.673 1.00 0.00 H new ATOM 0 HB3 LEU A 161 4.623 10.418 3.705 1.00 0.00 H new ATOM 0 HG LEU A 161 3.851 8.961 6.237 1.00 0.00 H new ATOM 0 HD11 LEU A 161 4.068 11.100 7.438 1.00 0.00 H new ATOM 0 HD12 LEU A 161 5.639 10.518 6.838 1.00 0.00 H new ATOM 0 HD13 LEU A 161 4.794 11.835 5.990 1.00 0.00 H new ATOM 0 HD21 LEU A 161 1.991 10.580 6.209 1.00 0.00 H new ATOM 0 HD22 LEU A 161 2.641 11.294 4.714 1.00 0.00 H new ATOM 0 HD23 LEU A 161 2.047 9.616 4.714 1.00 0.00 H new ATOM 2409 N GLU A 162 2.279 8.062 2.590 1.00 0.00 N ATOM 2410 CA GLU A 162 1.322 8.234 1.503 1.00 0.00 C ATOM 2411 C GLU A 162 0.250 9.261 1.855 1.00 0.00 C ATOM 2412 O GLU A 162 -0.175 9.365 3.007 1.00 0.00 O ATOM 2413 CB GLU A 162 0.664 6.896 1.161 1.00 0.00 C ATOM 2414 CG GLU A 162 -0.162 6.934 -0.114 1.00 0.00 C ATOM 2415 CD GLU A 162 -1.555 6.361 0.075 1.00 0.00 C ATOM 2416 OE1 GLU A 162 -1.663 5.189 0.491 1.00 0.00 O ATOM 2417 OE2 GLU A 162 -2.537 7.085 -0.195 1.00 0.00 O ATOM 0 H GLU A 162 1.918 7.550 3.395 1.00 0.00 H new ATOM 0 HA GLU A 162 1.871 8.602 0.636 1.00 0.00 H new ATOM 0 HB2 GLU A 162 1.438 6.135 1.060 1.00 0.00 H new ATOM 0 HB3 GLU A 162 0.024 6.593 1.990 1.00 0.00 H new ATOM 0 HG2 GLU A 162 -0.241 7.964 -0.461 1.00 0.00 H new ATOM 0 HG3 GLU A 162 0.354 6.374 -0.894 1.00 0.00 H new ATOM 2424 N TYR A 163 -0.186 10.009 0.847 1.00 0.00 N ATOM 2425 CA TYR A 163 -1.213 11.027 1.029 1.00 0.00 C ATOM 2426 C TYR A 163 -2.300 10.881 -0.032 1.00 0.00 C ATOM 2427 O TYR A 163 -2.014 10.852 -1.229 1.00 0.00 O ATOM 2428 CB TYR A 163 -0.596 12.425 0.956 1.00 0.00 C ATOM 2429 CG TYR A 163 -1.364 13.470 1.735 1.00 0.00 C ATOM 2430 CD1 TYR A 163 -2.720 13.672 1.514 1.00 0.00 C ATOM 2431 CD2 TYR A 163 -0.731 14.254 2.692 1.00 0.00 C ATOM 2432 CE1 TYR A 163 -3.425 14.627 2.223 1.00 0.00 C ATOM 2433 CE2 TYR A 163 -1.428 15.210 3.405 1.00 0.00 C ATOM 2434 CZ TYR A 163 -2.774 15.393 3.167 1.00 0.00 C ATOM 2435 OH TYR A 163 -3.471 16.344 3.876 1.00 0.00 O ATOM 0 H TYR A 163 0.159 9.928 -0.110 1.00 0.00 H new ATOM 0 HA TYR A 163 -1.662 10.891 2.013 1.00 0.00 H new ATOM 0 HB2 TYR A 163 0.426 12.382 1.333 1.00 0.00 H new ATOM 0 HB3 TYR A 163 -0.538 12.733 -0.088 1.00 0.00 H new ATOM 0 HD1 TYR A 163 -3.233 13.073 0.776 1.00 0.00 H new ATOM 0 HD2 TYR A 163 0.323 14.114 2.881 1.00 0.00 H new ATOM 0 HE1 TYR A 163 -4.479 14.772 2.039 1.00 0.00 H new ATOM 0 HE2 TYR A 163 -0.921 15.811 4.145 1.00 0.00 H new ATOM 0 HH TYR A 163 -2.866 16.795 4.501 1.00 0.00 H new ATOM 2445 N GLN A 164 -3.550 10.786 0.413 1.00 0.00 N ATOM 2446 CA GLN A 164 -4.679 10.638 -0.500 1.00 0.00 C ATOM 2447 C GLN A 164 -4.696 11.753 -1.540 1.00 0.00 C ATOM 2448 O GLN A 164 -4.499 11.508 -2.730 1.00 0.00 O ATOM 2449 CB GLN A 164 -5.995 10.635 0.280 1.00 0.00 C ATOM 2450 CG GLN A 164 -7.086 9.803 -0.373 1.00 0.00 C ATOM 2451 CD GLN A 164 -7.809 10.552 -1.475 1.00 0.00 C ATOM 2452 OE1 GLN A 164 -8.318 11.652 -1.263 1.00 0.00 O ATOM 2453 NE2 GLN A 164 -7.859 9.956 -2.661 1.00 0.00 N ATOM 0 H GLN A 164 -3.806 10.809 1.400 1.00 0.00 H new ATOM 0 HA GLN A 164 -4.567 9.686 -1.019 1.00 0.00 H new ATOM 0 HB2 GLN A 164 -5.811 10.254 1.285 1.00 0.00 H new ATOM 0 HB3 GLN A 164 -6.347 11.661 0.387 1.00 0.00 H new ATOM 0 HG2 GLN A 164 -6.648 8.894 -0.784 1.00 0.00 H new ATOM 0 HG3 GLN A 164 -7.806 9.495 0.385 1.00 0.00 H new ATOM 0 HE21 GLN A 164 -7.423 9.043 -2.792 1.00 0.00 H new ATOM 0 HE22 GLN A 164 -8.333 10.411 -3.441 1.00 0.00 H new ATOM 2724 N LEU A 184 -3.781 10.631 5.367 1.00 0.00 N ATOM 2725 CA LEU A 184 -2.354 10.337 5.394 1.00 0.00 C ATOM 2726 C LEU A 184 -2.087 9.017 6.111 1.00 0.00 C ATOM 2727 O LEU A 184 -2.681 8.735 7.151 1.00 0.00 O ATOM 2728 CB LEU A 184 -1.591 11.469 6.084 1.00 0.00 C ATOM 2729 CG LEU A 184 -1.836 12.863 5.505 1.00 0.00 C ATOM 2730 CD1 LEU A 184 -3.220 13.365 5.887 1.00 0.00 C ATOM 2731 CD2 LEU A 184 -0.765 13.833 5.980 1.00 0.00 C ATOM 0 HA LEU A 184 -2.006 10.250 4.365 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -1.862 11.478 7.140 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -0.524 11.253 6.031 1.00 0.00 H new ATOM 0 HG LEU A 184 -1.783 12.798 4.418 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -3.376 14.358 5.466 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -3.975 12.683 5.496 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -3.302 13.414 6.973 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -0.955 14.820 5.558 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -0.785 13.893 7.068 1.00 0.00 H new ATOM 0 HD23 LEU A 184 0.214 13.482 5.654 1.00 0.00 H new ATOM 2743 N SER A 185 -1.192 8.211 5.547 1.00 0.00 N ATOM 2744 CA SER A 185 -0.853 6.920 6.138 1.00 0.00 C ATOM 2745 C SER A 185 0.652 6.682 6.108 1.00 0.00 C ATOM 2746 O SER A 185 1.365 7.248 5.277 1.00 0.00 O ATOM 2747 CB SER A 185 -1.574 5.794 5.396 1.00 0.00 C ATOM 2748 OG SER A 185 -1.392 5.907 3.995 1.00 0.00 O ATOM 0 H SER A 185 -0.690 8.427 4.686 1.00 0.00 H new ATOM 0 HA SER A 185 -1.178 6.929 7.179 1.00 0.00 H new ATOM 0 HB2 SER A 185 -1.198 4.830 5.738 1.00 0.00 H new ATOM 0 HB3 SER A 185 -2.638 5.823 5.631 1.00 0.00 H new ATOM 0 HG SER A 185 -1.861 5.174 3.544 1.00 0.00 H new ATOM 2754 N LEU A 186 1.128 5.837 7.016 1.00 0.00 N ATOM 2755 CA LEU A 186 2.550 5.516 7.095 1.00 0.00 C ATOM 2756 C LEU A 186 2.773 4.024 6.871 1.00 0.00 C ATOM 2757 O LEU A 186 2.076 3.194 7.453 1.00 0.00 O ATOM 2758 CB LEU A 186 3.125 5.925 8.456 1.00 0.00 C ATOM 2759 CG LEU A 186 2.414 7.095 9.147 1.00 0.00 C ATOM 2760 CD1 LEU A 186 1.460 6.583 10.217 1.00 0.00 C ATOM 2761 CD2 LEU A 186 3.430 8.054 9.752 1.00 0.00 C ATOM 0 H LEU A 186 0.550 5.361 7.709 1.00 0.00 H new ATOM 0 HA LEU A 186 3.065 6.075 6.314 1.00 0.00 H new ATOM 0 HB2 LEU A 186 3.094 5.060 9.119 1.00 0.00 H new ATOM 0 HB3 LEU A 186 4.175 6.187 8.324 1.00 0.00 H new ATOM 0 HG LEU A 186 1.834 7.635 8.399 1.00 0.00 H new ATOM 0 HD11 LEU A 186 0.964 7.427 10.697 1.00 0.00 H new ATOM 0 HD12 LEU A 186 0.712 5.936 9.758 1.00 0.00 H new ATOM 0 HD13 LEU A 186 2.019 6.019 10.963 1.00 0.00 H new ATOM 0 HD21 LEU A 186 2.908 8.878 10.238 1.00 0.00 H new ATOM 0 HD22 LEU A 186 4.037 7.525 10.487 1.00 0.00 H new ATOM 0 HD23 LEU A 186 4.074 8.446 8.965 1.00 0.00 H new ATOM 2773 N GLY A 187 3.739 3.687 6.021 1.00 0.00 N ATOM 2774 CA GLY A 187 4.012 2.289 5.749 1.00 0.00 C ATOM 2775 C GLY A 187 5.479 2.004 5.505 1.00 0.00 C ATOM 2776 O GLY A 187 6.259 2.910 5.215 1.00 0.00 O ATOM 0 H GLY A 187 4.331 4.350 5.521 1.00 0.00 H new ATOM 0 HA2 GLY A 187 3.667 1.688 6.590 1.00 0.00 H new ATOM 0 HA3 GLY A 187 3.438 1.976 4.877 1.00 0.00 H new ATOM 2780 N VAL A 188 5.848 0.731 5.612 1.00 0.00 N ATOM 2781 CA VAL A 188 7.228 0.310 5.391 1.00 0.00 C ATOM 2782 C VAL A 188 7.290 -0.759 4.308 1.00 0.00 C ATOM 2783 O VAL A 188 6.495 -1.700 4.305 1.00 0.00 O ATOM 2784 CB VAL A 188 7.892 -0.229 6.680 1.00 0.00 C ATOM 2785 CG1 VAL A 188 8.608 0.892 7.418 1.00 0.00 C ATOM 2786 CG2 VAL A 188 6.871 -0.902 7.590 1.00 0.00 C ATOM 0 H VAL A 188 5.210 -0.028 5.851 1.00 0.00 H new ATOM 0 HA VAL A 188 7.780 1.195 5.073 1.00 0.00 H new ATOM 0 HB VAL A 188 8.626 -0.981 6.389 1.00 0.00 H new ATOM 0 HG11 VAL A 188 9.070 0.496 8.322 1.00 0.00 H new ATOM 0 HG12 VAL A 188 9.378 1.318 6.774 1.00 0.00 H new ATOM 0 HG13 VAL A 188 7.890 1.667 7.687 1.00 0.00 H new ATOM 0 HG21 VAL A 188 7.370 -1.270 8.487 1.00 0.00 H new ATOM 0 HG22 VAL A 188 6.103 -0.181 7.871 1.00 0.00 H new ATOM 0 HG23 VAL A 188 6.409 -1.737 7.063 1.00 0.00 H new ATOM 2796 N SER A 189 8.225 -0.604 3.376 1.00 0.00 N ATOM 2797 CA SER A 189 8.370 -1.555 2.280 1.00 0.00 C ATOM 2798 C SER A 189 9.834 -1.899 2.033 1.00 0.00 C ATOM 2799 O SER A 189 10.732 -1.328 2.653 1.00 0.00 O ATOM 2800 CB SER A 189 7.749 -0.982 1.004 1.00 0.00 C ATOM 2801 OG SER A 189 6.805 0.030 1.305 1.00 0.00 O ATOM 0 H SER A 189 8.891 0.168 3.358 1.00 0.00 H new ATOM 0 HA SER A 189 7.849 -2.471 2.559 1.00 0.00 H new ATOM 0 HB2 SER A 189 8.533 -0.574 0.366 1.00 0.00 H new ATOM 0 HB3 SER A 189 7.264 -1.780 0.442 1.00 0.00 H new ATOM 0 HG SER A 189 5.903 -0.294 1.102 1.00 0.00 H new ATOM 2807 N TYR A 190 10.064 -2.836 1.120 1.00 0.00 N ATOM 2808 CA TYR A 190 11.417 -3.263 0.780 1.00 0.00 C ATOM 2809 C TYR A 190 11.550 -3.481 -0.724 1.00 0.00 C ATOM 2810 O TYR A 190 10.563 -3.737 -1.414 1.00 0.00 O ATOM 2811 CB TYR A 190 11.772 -4.549 1.528 1.00 0.00 C ATOM 2812 CG TYR A 190 10.778 -5.670 1.313 1.00 0.00 C ATOM 2813 CD1 TYR A 190 10.902 -6.534 0.233 1.00 0.00 C ATOM 2814 CD2 TYR A 190 9.720 -5.863 2.192 1.00 0.00 C ATOM 2815 CE1 TYR A 190 9.997 -7.559 0.034 1.00 0.00 C ATOM 2816 CE2 TYR A 190 8.811 -6.886 1.999 1.00 0.00 C ATOM 2817 CZ TYR A 190 8.955 -7.731 0.919 1.00 0.00 C ATOM 2818 OH TYR A 190 8.052 -8.752 0.725 1.00 0.00 O ATOM 0 H TYR A 190 9.329 -3.316 0.600 1.00 0.00 H new ATOM 0 HA TYR A 190 12.109 -2.476 1.080 1.00 0.00 H new ATOM 0 HB2 TYR A 190 12.759 -4.884 1.209 1.00 0.00 H new ATOM 0 HB3 TYR A 190 11.838 -4.333 2.594 1.00 0.00 H new ATOM 0 HD1 TYR A 190 11.718 -6.403 -0.462 1.00 0.00 H new ATOM 0 HD2 TYR A 190 9.606 -5.203 3.040 1.00 0.00 H new ATOM 0 HE1 TYR A 190 10.106 -8.222 -0.811 1.00 0.00 H new ATOM 0 HE2 TYR A 190 7.993 -7.023 2.690 1.00 0.00 H new ATOM 0 HH TYR A 190 7.381 -8.735 1.439 1.00 0.00 H new ATOM 2828 N ARG A 191 12.778 -3.379 -1.224 1.00 0.00 N ATOM 2829 CA ARG A 191 13.041 -3.563 -2.646 1.00 0.00 C ATOM 2830 C ARG A 191 13.574 -4.966 -2.925 1.00 0.00 C ATOM 2831 O ARG A 191 14.252 -5.560 -2.088 1.00 0.00 O ATOM 2832 CB ARG A 191 14.043 -2.519 -3.141 1.00 0.00 C ATOM 2833 CG ARG A 191 15.414 -2.636 -2.492 1.00 0.00 C ATOM 2834 CD ARG A 191 16.364 -3.460 -3.345 1.00 0.00 C ATOM 2835 NE ARG A 191 17.238 -2.619 -4.161 1.00 0.00 N ATOM 2836 CZ ARG A 191 18.157 -1.798 -3.658 1.00 0.00 C ATOM 2837 NH1 ARG A 191 18.325 -1.705 -2.345 1.00 0.00 N ATOM 2838 NH2 ARG A 191 18.909 -1.070 -4.471 1.00 0.00 N ATOM 0 H ARG A 191 13.605 -3.170 -0.665 1.00 0.00 H new ATOM 0 HA ARG A 191 12.100 -3.437 -3.182 1.00 0.00 H new ATOM 0 HB2 ARG A 191 14.152 -2.616 -4.221 1.00 0.00 H new ATOM 0 HB3 ARG A 191 13.643 -1.524 -2.949 1.00 0.00 H new ATOM 0 HG2 ARG A 191 15.831 -1.641 -2.338 1.00 0.00 H new ATOM 0 HG3 ARG A 191 15.314 -3.095 -1.509 1.00 0.00 H new ATOM 0 HD2 ARG A 191 16.971 -4.095 -2.700 1.00 0.00 H new ATOM 0 HD3 ARG A 191 15.788 -4.121 -3.993 1.00 0.00 H new ATOM 0 HE ARG A 191 17.138 -2.664 -5.175 1.00 0.00 H new ATOM 0 HH11 ARG A 191 17.749 -2.264 -1.716 1.00 0.00 H new ATOM 0 HH12 ARG A 191 19.031 -1.074 -1.965 1.00 0.00 H new ATOM 0 HH21 ARG A 191 18.783 -1.139 -5.481 1.00 0.00 H new ATOM 0 HH22 ARG A 191 19.614 -0.440 -4.087 1.00 0.00 H new