USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 437 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 NoAdj-H: A 319 HIS HD1 : A 319 HIS ND1 : A 501 ZNZN :(H bumps) USER MOD Set 1.1: A 312 CYS SG : rot 13:sc= 0.431 USER MOD Set 1.2: A 324 THR OG1 : rot -46:sc= 0.128 USER MOD Set 2.1: A 297 SER OG : rot -160:sc= 0.646 USER MOD Set 2.2: A 300 SER OG : rot 161:sc= 0.14 USER MOD Set 2.3: A 310 LYS NZ :NH3+ -118:sc= 0.155 (180deg=-2.49!) USER MOD Single : A 299 LYS NZ :NH3+ 151:sc= -0.0418 (180deg=-0.658) USER MOD Single : A 307 SER OG : rot 180:sc= 0.00179 USER MOD Single : A 308 SER OG : rot 15:sc= 0.471 USER MOD Single : A 311 SER OG : rot -122:sc= 0.164 USER MOD Single : A 321 CYS SG : rot 66:sc= 0.0336 USER MOD Single : A 322 SER OG : rot 180:sc= 0.108 USER MOD Single : A 327 TYR OH : rot 180:sc= 0 USER MOD Single : A 334 LYS NZ :NH3+ -147:sc= 1.01 (180deg=0.41) USER MOD Single : A 335 LYS NZ :NH3+ 137:sc= 0.338 (180deg=-1.09) USER MOD Single : A 341 GLN : amide:sc= -1.92 K(o=-1.9,f=-8.1!) USER MOD Single : A 344 THR OG1 : rot 180:sc= 0 USER MOD Single : A 350 TYR OH : rot 180:sc= 0 USER MOD Single : A 351 ASN : amide:sc= 0.232 K(o=0.23,f=-6.3!) USER MOD Single : A 352 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 296 10.302 10.846 -10.635 1.00 13.00 N ATOM 2 CA GLY A 296 8.950 11.376 -10.951 1.00 45.03 C ATOM 3 C GLY A 296 9.080 12.529 -11.881 1.00 73.23 C ATOM 4 O GLY A 296 8.472 13.570 -11.693 1.00 42.04 O ATOM 0 HA2 GLY A 296 8.338 10.596 -11.404 1.00 45.03 H new ATOM 0 HA3 GLY A 296 8.446 11.687 -10.036 1.00 45.03 H new ATOM 10 N SER A 297 9.934 12.377 -12.895 1.00 4.31 N ATOM 11 CA SER A 297 10.115 13.411 -13.879 1.00 51.25 C ATOM 12 C SER A 297 10.587 12.690 -15.123 1.00 12.22 C ATOM 13 O SER A 297 9.888 11.782 -15.585 1.00 23.54 O ATOM 14 CB SER A 297 11.107 14.541 -13.432 1.00 64.21 C ATOM 15 OG SER A 297 11.788 14.174 -12.215 1.00 32.31 O ATOM 0 H SER A 297 10.504 11.544 -13.044 1.00 4.31 H new ATOM 0 HA SER A 297 9.183 13.951 -14.046 1.00 51.25 H new ATOM 0 HB2 SER A 297 11.836 14.724 -14.221 1.00 64.21 H new ATOM 0 HB3 SER A 297 10.561 15.472 -13.281 1.00 64.21 H new ATOM 0 HG SER A 297 12.145 14.979 -11.785 1.00 32.31 H new ATOM 21 N LEU A 298 11.770 13.030 -15.681 1.00 35.12 N ATOM 22 CA LEU A 298 12.261 12.335 -16.846 1.00 5.41 C ATOM 23 C LEU A 298 13.733 12.597 -16.907 1.00 43.22 C ATOM 24 O LEU A 298 14.161 13.759 -16.961 1.00 4.21 O ATOM 25 CB LEU A 298 11.625 12.801 -18.193 1.00 35.24 C ATOM 26 CG LEU A 298 10.918 11.670 -18.979 1.00 1.43 C ATOM 27 CD1 LEU A 298 10.156 12.200 -20.196 1.00 72.15 C ATOM 28 CD2 LEU A 298 11.870 10.527 -19.372 1.00 74.34 C ATOM 0 H LEU A 298 12.379 13.772 -15.336 1.00 35.12 H new ATOM 0 HA LEU A 298 12.001 11.282 -16.740 1.00 5.41 H new ATOM 0 HB2 LEU A 298 10.904 13.593 -17.988 1.00 35.24 H new ATOM 0 HB3 LEU A 298 12.404 13.234 -18.821 1.00 35.24 H new ATOM 0 HG LEU A 298 10.186 11.247 -18.291 1.00 1.43 H new ATOM 0 HD11 LEU A 298 9.677 11.370 -20.715 1.00 72.15 H new ATOM 0 HD12 LEU A 298 9.397 12.910 -19.869 1.00 72.15 H new ATOM 0 HD13 LEU A 298 10.851 12.698 -20.872 1.00 72.15 H new ATOM 0 HD21 LEU A 298 11.316 9.765 -19.920 1.00 74.34 H new ATOM 0 HD22 LEU A 298 12.669 10.919 -20.002 1.00 74.34 H new ATOM 0 HD23 LEU A 298 12.300 10.086 -18.473 1.00 74.34 H new ATOM 40 N LYS A 299 14.540 11.502 -16.863 1.00 1.14 N ATOM 41 CA LYS A 299 16.004 11.558 -16.974 1.00 73.23 C ATOM 42 C LYS A 299 16.586 12.434 -15.900 1.00 2.00 C ATOM 43 O LYS A 299 17.565 13.152 -16.125 1.00 0.43 O ATOM 44 CB LYS A 299 16.538 12.019 -18.351 1.00 45.11 C ATOM 45 CG LYS A 299 15.938 11.252 -19.543 1.00 52.34 C ATOM 46 CD LYS A 299 16.150 9.728 -19.492 1.00 21.21 C ATOM 47 CE LYS A 299 16.933 9.189 -20.686 1.00 23.50 C ATOM 48 NZ LYS A 299 18.270 9.829 -20.765 1.00 54.31 N ATOM 0 H LYS A 299 14.180 10.555 -16.748 1.00 1.14 H new ATOM 0 HA LYS A 299 16.328 10.524 -16.851 1.00 73.23 H new ATOM 0 HB2 LYS A 299 16.329 13.082 -18.473 1.00 45.11 H new ATOM 0 HB3 LYS A 299 17.622 11.904 -18.366 1.00 45.11 H new ATOM 0 HG2 LYS A 299 14.868 11.456 -19.589 1.00 52.34 H new ATOM 0 HG3 LYS A 299 16.376 11.637 -20.464 1.00 52.34 H new ATOM 0 HD2 LYS A 299 16.679 9.472 -18.574 1.00 21.21 H new ATOM 0 HD3 LYS A 299 15.179 9.234 -19.449 1.00 21.21 H new ATOM 0 HE2 LYS A 299 17.046 8.109 -20.596 1.00 23.50 H new ATOM 0 HE3 LYS A 299 16.379 9.376 -21.606 1.00 23.50 H new ATOM 0 HZ1 LYS A 299 18.943 9.173 -21.209 1.00 54.31 H new ATOM 0 HZ2 LYS A 299 18.206 10.697 -21.334 1.00 54.31 H new ATOM 0 HZ3 LYS A 299 18.598 10.066 -19.807 1.00 54.31 H new ATOM 62 N SER A 300 15.993 12.393 -14.716 1.00 3.12 N ATOM 63 CA SER A 300 16.494 13.142 -13.603 1.00 12.04 C ATOM 64 C SER A 300 17.246 12.148 -12.773 1.00 55.23 C ATOM 65 O SER A 300 17.552 11.048 -13.241 1.00 3.53 O ATOM 66 CB SER A 300 15.364 13.767 -12.755 1.00 32.21 C ATOM 67 OG SER A 300 14.301 14.202 -13.606 1.00 2.40 O ATOM 0 H SER A 300 15.159 11.841 -14.514 1.00 3.12 H new ATOM 0 HA SER A 300 17.109 13.973 -13.949 1.00 12.04 H new ATOM 0 HB2 SER A 300 14.991 13.037 -12.036 1.00 32.21 H new ATOM 0 HB3 SER A 300 15.751 14.610 -12.182 1.00 32.21 H new ATOM 0 HG SER A 300 13.481 14.305 -13.079 1.00 2.40 H new ATOM 73 N ALA A 301 17.580 12.501 -11.524 1.00 41.01 N ATOM 74 CA ALA A 301 18.295 11.579 -10.672 1.00 13.55 C ATOM 75 C ALA A 301 17.379 10.423 -10.334 1.00 40.31 C ATOM 76 O ALA A 301 16.217 10.613 -9.992 1.00 4.35 O ATOM 77 CB ALA A 301 18.782 12.205 -9.345 1.00 62.14 C ATOM 0 H ALA A 301 17.366 13.403 -11.100 1.00 41.01 H new ATOM 0 HA ALA A 301 19.179 11.265 -11.226 1.00 13.55 H new ATOM 0 HB1 ALA A 301 19.310 11.452 -8.760 1.00 62.14 H new ATOM 0 HB2 ALA A 301 19.455 13.035 -9.560 1.00 62.14 H new ATOM 0 HB3 ALA A 301 17.925 12.570 -8.779 1.00 62.14 H new ATOM 83 N CYS A 302 17.909 9.173 -10.480 1.00 65.22 N ATOM 84 CA CYS A 302 17.211 7.939 -10.077 1.00 52.23 C ATOM 85 C CYS A 302 16.865 8.139 -8.629 1.00 22.22 C ATOM 86 O CYS A 302 17.756 8.191 -7.823 1.00 13.50 O ATOM 87 CB CYS A 302 18.172 6.702 -10.214 1.00 40.05 C ATOM 88 SG CYS A 302 17.554 5.093 -9.552 1.00 41.41 S ATOM 0 H CYS A 302 18.832 9.005 -10.881 1.00 65.22 H new ATOM 0 HA CYS A 302 16.334 7.750 -10.696 1.00 52.23 H new ATOM 0 HB2 CYS A 302 18.405 6.568 -11.270 1.00 40.05 H new ATOM 0 HB3 CYS A 302 19.108 6.941 -9.709 1.00 40.05 H new ATOM 93 N VAL A 303 15.551 8.095 -8.282 1.00 60.23 N ATOM 94 CA VAL A 303 15.081 8.573 -6.973 1.00 1.53 C ATOM 95 C VAL A 303 15.557 7.676 -5.855 1.00 55.21 C ATOM 96 O VAL A 303 15.529 8.052 -4.704 1.00 64.33 O ATOM 97 CB VAL A 303 13.569 8.696 -6.882 1.00 31.35 C ATOM 98 CG1 VAL A 303 13.082 9.656 -7.982 1.00 0.51 C ATOM 99 CG2 VAL A 303 12.917 7.305 -6.998 1.00 21.51 C ATOM 0 H VAL A 303 14.814 7.736 -8.889 1.00 60.23 H new ATOM 0 HA VAL A 303 15.509 9.570 -6.866 1.00 1.53 H new ATOM 0 HB VAL A 303 13.278 9.106 -5.915 1.00 31.35 H new ATOM 0 HG11 VAL A 303 11.998 9.752 -7.927 1.00 0.51 H new ATOM 0 HG12 VAL A 303 13.541 10.634 -7.840 1.00 0.51 H new ATOM 0 HG13 VAL A 303 13.362 9.262 -8.959 1.00 0.51 H new ATOM 0 HG21 VAL A 303 11.834 7.404 -6.932 1.00 21.51 H new ATOM 0 HG22 VAL A 303 13.182 6.858 -7.956 1.00 21.51 H new ATOM 0 HG23 VAL A 303 13.273 6.668 -6.189 1.00 21.51 H new ATOM 109 N VAL A 304 16.028 6.471 -6.188 1.00 52.44 N ATOM 110 CA VAL A 304 16.439 5.554 -5.159 1.00 52.14 C ATOM 111 C VAL A 304 17.897 5.801 -4.829 1.00 61.13 C ATOM 112 O VAL A 304 18.246 5.918 -3.672 1.00 1.01 O ATOM 113 CB VAL A 304 16.265 4.083 -5.549 1.00 44.11 C ATOM 114 CG1 VAL A 304 15.915 3.276 -4.282 1.00 12.12 C ATOM 115 CG2 VAL A 304 15.162 3.964 -6.628 1.00 53.52 C ATOM 0 H VAL A 304 16.127 6.127 -7.143 1.00 52.44 H new ATOM 0 HA VAL A 304 15.795 5.737 -4.299 1.00 52.14 H new ATOM 0 HB VAL A 304 17.186 3.681 -5.971 1.00 44.11 H new ATOM 0 HG11 VAL A 304 15.788 2.225 -4.543 1.00 12.12 H new ATOM 0 HG12 VAL A 304 16.720 3.374 -3.554 1.00 12.12 H new ATOM 0 HG13 VAL A 304 14.989 3.658 -3.852 1.00 12.12 H new ATOM 0 HG21 VAL A 304 15.037 2.918 -6.907 1.00 53.52 H new ATOM 0 HG22 VAL A 304 14.222 4.349 -6.232 1.00 53.52 H new ATOM 0 HG23 VAL A 304 15.449 4.542 -7.507 1.00 53.52 H new ATOM 125 N CYS A 305 18.782 5.900 -5.855 1.00 63.32 N ATOM 126 CA CYS A 305 20.219 6.010 -5.567 1.00 41.05 C ATOM 127 C CYS A 305 20.638 7.473 -5.521 1.00 43.21 C ATOM 128 O CYS A 305 21.453 7.853 -4.708 1.00 62.24 O ATOM 129 CB CYS A 305 21.129 5.187 -6.551 1.00 12.01 C ATOM 130 SG CYS A 305 20.919 5.604 -8.321 1.00 4.10 S ATOM 0 H CYS A 305 18.533 5.905 -6.844 1.00 63.32 H new ATOM 0 HA CYS A 305 20.373 5.560 -4.586 1.00 41.05 H new ATOM 0 HB2 CYS A 305 22.172 5.344 -6.276 1.00 12.01 H new ATOM 0 HB3 CYS A 305 20.920 4.126 -6.415 1.00 12.01 H new ATOM 135 N LEU A 306 20.131 8.280 -6.500 1.00 53.52 N ATOM 136 CA LEU A 306 20.336 9.746 -6.572 1.00 3.23 C ATOM 137 C LEU A 306 21.670 10.023 -7.226 1.00 5.21 C ATOM 138 O LEU A 306 22.094 11.173 -7.328 1.00 41.44 O ATOM 139 CB LEU A 306 20.255 10.544 -5.217 1.00 40.53 C ATOM 140 CG LEU A 306 18.840 10.616 -4.576 1.00 54.35 C ATOM 141 CD1 LEU A 306 17.730 10.925 -5.583 1.00 61.24 C ATOM 142 CD2 LEU A 306 18.507 9.398 -3.702 1.00 13.34 C ATOM 0 H LEU A 306 19.563 7.919 -7.266 1.00 53.52 H new ATOM 0 HA LEU A 306 19.490 10.111 -7.154 1.00 3.23 H new ATOM 0 HB2 LEU A 306 20.938 10.085 -4.502 1.00 40.53 H new ATOM 0 HB3 LEU A 306 20.610 11.560 -5.390 1.00 40.53 H new ATOM 0 HG LEU A 306 18.883 11.472 -3.903 1.00 54.35 H new ATOM 0 HD11 LEU A 306 16.770 10.960 -5.067 1.00 61.24 H new ATOM 0 HD12 LEU A 306 17.924 11.888 -6.054 1.00 61.24 H new ATOM 0 HD13 LEU A 306 17.704 10.147 -6.346 1.00 61.24 H new ATOM 0 HD21 LEU A 306 17.506 9.512 -3.285 1.00 13.34 H new ATOM 0 HD22 LEU A 306 18.547 8.493 -4.308 1.00 13.34 H new ATOM 0 HD23 LEU A 306 19.231 9.323 -2.891 1.00 13.34 H new ATOM 154 N SER A 307 22.344 8.961 -7.695 1.00 32.34 N ATOM 155 CA SER A 307 23.654 9.092 -8.304 1.00 55.11 C ATOM 156 C SER A 307 23.502 8.934 -9.796 1.00 41.01 C ATOM 157 O SER A 307 23.954 9.772 -10.565 1.00 35.33 O ATOM 158 CB SER A 307 24.626 7.996 -7.798 1.00 0.31 C ATOM 159 OG SER A 307 23.899 7.015 -7.029 1.00 34.14 O ATOM 0 H SER A 307 21.992 8.004 -7.658 1.00 32.34 H new ATOM 0 HA SER A 307 24.062 10.068 -8.041 1.00 55.11 H new ATOM 0 HB2 SER A 307 25.119 7.516 -8.643 1.00 0.31 H new ATOM 0 HB3 SER A 307 25.408 8.445 -7.186 1.00 0.31 H new ATOM 0 HG SER A 307 24.517 6.323 -6.713 1.00 34.14 H new ATOM 165 N SER A 308 22.823 7.853 -10.226 1.00 61.13 N ATOM 166 CA SER A 308 22.683 7.585 -11.643 1.00 35.51 C ATOM 167 C SER A 308 21.387 8.190 -12.045 1.00 24.53 C ATOM 168 O SER A 308 20.488 8.381 -11.193 1.00 72.34 O ATOM 169 CB SER A 308 22.645 6.070 -12.011 1.00 4.12 C ATOM 170 OG SER A 308 21.950 5.315 -11.006 1.00 60.11 O ATOM 0 H SER A 308 22.375 7.171 -9.614 1.00 61.13 H new ATOM 0 HA SER A 308 23.552 7.997 -12.155 1.00 35.51 H new ATOM 0 HB2 SER A 308 22.154 5.938 -12.975 1.00 4.12 H new ATOM 0 HB3 SER A 308 23.662 5.692 -12.117 1.00 4.12 H new ATOM 0 HG SER A 308 21.446 5.926 -10.428 1.00 60.11 H new ATOM 176 N PHE A 309 21.230 8.462 -13.338 1.00 52.35 N ATOM 177 CA PHE A 309 20.006 9.020 -13.852 1.00 15.31 C ATOM 178 C PHE A 309 18.972 7.921 -13.873 1.00 53.04 C ATOM 179 O PHE A 309 19.286 6.738 -13.669 1.00 11.05 O ATOM 180 CB PHE A 309 20.149 9.610 -15.298 1.00 5.01 C ATOM 181 CG PHE A 309 20.396 8.603 -16.423 1.00 44.54 C ATOM 182 CD1 PHE A 309 21.519 7.784 -16.430 1.00 3.12 C ATOM 183 CD2 PHE A 309 19.505 8.498 -17.473 1.00 33.21 C ATOM 184 CE1 PHE A 309 21.731 6.895 -17.454 1.00 54.11 C ATOM 185 CE2 PHE A 309 19.727 7.604 -18.491 1.00 40.42 C ATOM 186 CZ PHE A 309 20.836 6.805 -18.482 1.00 60.35 C ATOM 0 H PHE A 309 21.947 8.300 -14.045 1.00 52.35 H new ATOM 0 HA PHE A 309 19.719 9.848 -13.204 1.00 15.31 H new ATOM 0 HB2 PHE A 309 19.241 10.167 -15.531 1.00 5.01 H new ATOM 0 HB3 PHE A 309 20.970 10.327 -15.295 1.00 5.01 H new ATOM 0 HD1 PHE A 309 22.232 7.848 -15.621 1.00 3.12 H new ATOM 0 HD2 PHE A 309 18.626 9.125 -17.493 1.00 33.21 H new ATOM 0 HE1 PHE A 309 22.608 6.265 -17.447 1.00 54.11 H new ATOM 0 HE2 PHE A 309 19.020 7.532 -19.305 1.00 40.42 H new ATOM 0 HZ PHE A 309 21.004 6.104 -19.286 1.00 60.35 H new ATOM 196 N LYS A 310 17.701 8.306 -13.987 1.00 32.30 N ATOM 197 CA LYS A 310 16.648 7.339 -14.112 1.00 34.31 C ATOM 198 C LYS A 310 16.480 7.059 -15.567 1.00 32.34 C ATOM 199 O LYS A 310 16.373 7.975 -16.378 1.00 3.50 O ATOM 200 CB LYS A 310 15.297 7.808 -13.548 1.00 2.30 C ATOM 201 CG LYS A 310 15.030 9.293 -13.743 1.00 31.25 C ATOM 202 CD LYS A 310 13.586 9.587 -14.097 1.00 21.25 C ATOM 203 CE LYS A 310 13.030 10.829 -13.416 1.00 52.41 C ATOM 204 NZ LYS A 310 13.149 10.723 -11.947 1.00 3.02 N ATOM 0 H LYS A 310 17.392 9.278 -13.994 1.00 32.30 H new ATOM 0 HA LYS A 310 16.934 6.461 -13.533 1.00 34.31 H new ATOM 0 HB2 LYS A 310 14.498 7.240 -14.025 1.00 2.30 H new ATOM 0 HB3 LYS A 310 15.260 7.579 -12.483 1.00 2.30 H new ATOM 0 HG2 LYS A 310 15.292 9.828 -12.830 1.00 31.25 H new ATOM 0 HG3 LYS A 310 15.678 9.674 -14.533 1.00 31.25 H new ATOM 0 HD2 LYS A 310 13.503 9.708 -15.177 1.00 21.25 H new ATOM 0 HD3 LYS A 310 12.972 8.728 -13.824 1.00 21.25 H new ATOM 0 HE2 LYS A 310 13.566 11.711 -13.766 1.00 52.41 H new ATOM 0 HE3 LYS A 310 11.984 10.962 -13.691 1.00 52.41 H new ATOM 0 HZ1 LYS A 310 12.201 10.743 -11.520 1.00 3.02 H new ATOM 0 HZ2 LYS A 310 13.621 9.830 -11.701 1.00 3.02 H new ATOM 0 HZ3 LYS A 310 13.708 11.522 -11.585 1.00 3.02 H new ATOM 218 N SER A 311 16.418 5.778 -15.901 1.00 11.14 N ATOM 219 CA SER A 311 16.327 5.350 -17.259 1.00 22.54 C ATOM 220 C SER A 311 15.306 4.242 -17.281 1.00 32.23 C ATOM 221 O SER A 311 15.418 3.290 -18.044 1.00 4.30 O ATOM 222 CB SER A 311 17.695 4.796 -17.795 1.00 2.43 C ATOM 223 OG SER A 311 18.676 4.749 -16.731 1.00 54.22 O ATOM 0 H SER A 311 16.431 5.016 -15.223 1.00 11.14 H new ATOM 0 HA SER A 311 16.052 6.191 -17.895 1.00 22.54 H new ATOM 0 HB2 SER A 311 17.552 3.798 -18.210 1.00 2.43 H new ATOM 0 HB3 SER A 311 18.058 5.429 -18.605 1.00 2.43 H new ATOM 0 HG SER A 311 19.456 5.288 -16.981 1.00 54.22 H new ATOM 229 N CYS A 312 14.268 4.346 -16.431 1.00 60.44 N ATOM 230 CA CYS A 312 13.275 3.299 -16.388 1.00 23.43 C ATOM 231 C CYS A 312 11.965 3.901 -16.005 1.00 41.45 C ATOM 232 O CYS A 312 11.832 4.601 -14.956 1.00 72.14 O ATOM 233 CB CYS A 312 13.578 2.167 -15.374 1.00 35.42 C ATOM 234 SG CYS A 312 14.881 1.029 -15.938 1.00 32.40 S ATOM 0 H CYS A 312 14.111 5.124 -15.791 1.00 60.44 H new ATOM 0 HA CYS A 312 13.269 2.850 -17.381 1.00 23.43 H new ATOM 0 HB2 CYS A 312 13.877 2.610 -14.424 1.00 35.42 H new ATOM 0 HB3 CYS A 312 12.665 1.601 -15.188 1.00 35.42 H new ATOM 0 HG CYS A 312 15.494 1.544 -16.962 1.00 32.40 H new ATOM 240 N VAL A 313 10.968 3.616 -16.864 1.00 23.14 N ATOM 241 CA VAL A 313 9.618 4.011 -16.668 1.00 42.01 C ATOM 242 C VAL A 313 8.986 2.805 -16.056 1.00 22.21 C ATOM 243 O VAL A 313 9.198 1.681 -16.519 1.00 72.23 O ATOM 244 CB VAL A 313 8.887 4.312 -17.977 1.00 21.50 C ATOM 245 CG1 VAL A 313 7.501 4.908 -17.667 1.00 43.32 C ATOM 246 CG2 VAL A 313 9.741 5.263 -18.836 1.00 23.42 C ATOM 0 H VAL A 313 11.114 3.090 -17.726 1.00 23.14 H new ATOM 0 HA VAL A 313 9.568 4.921 -16.070 1.00 42.01 H new ATOM 0 HB VAL A 313 8.736 3.394 -18.545 1.00 21.50 H new ATOM 0 HG11 VAL A 313 6.980 5.122 -18.600 1.00 43.32 H new ATOM 0 HG12 VAL A 313 6.920 4.194 -17.083 1.00 43.32 H new ATOM 0 HG13 VAL A 313 7.620 5.830 -17.098 1.00 43.32 H new ATOM 0 HG21 VAL A 313 9.220 5.477 -19.769 1.00 23.42 H new ATOM 0 HG22 VAL A 313 9.909 6.193 -18.292 1.00 23.42 H new ATOM 0 HG23 VAL A 313 10.700 4.793 -19.056 1.00 23.42 H new ATOM 256 N PHE A 314 8.231 2.993 -14.993 1.00 53.34 N ATOM 257 CA PHE A 314 7.590 1.885 -14.352 1.00 71.45 C ATOM 258 C PHE A 314 6.223 1.804 -14.916 1.00 24.23 C ATOM 259 O PHE A 314 5.404 2.761 -14.760 1.00 41.12 O ATOM 260 CB PHE A 314 7.505 2.023 -12.822 1.00 11.23 C ATOM 261 CG PHE A 314 8.817 1.776 -12.114 1.00 73.15 C ATOM 262 CD1 PHE A 314 9.711 0.812 -12.575 1.00 13.03 C ATOM 263 CD2 PHE A 314 9.154 2.499 -10.986 1.00 54.02 C ATOM 264 CE1 PHE A 314 10.887 0.584 -11.922 1.00 25.54 C ATOM 265 CE2 PHE A 314 10.344 2.261 -10.340 1.00 54.21 C ATOM 266 CZ PHE A 314 11.204 1.304 -10.808 1.00 0.53 C ATOM 0 H PHE A 314 8.053 3.901 -14.564 1.00 53.34 H new ATOM 0 HA PHE A 314 8.179 0.987 -14.536 1.00 71.45 H new ATOM 0 HB2 PHE A 314 7.153 3.025 -12.576 1.00 11.23 H new ATOM 0 HB3 PHE A 314 6.761 1.322 -12.444 1.00 11.23 H new ATOM 0 HD1 PHE A 314 9.471 0.239 -13.458 1.00 13.03 H new ATOM 0 HD2 PHE A 314 8.480 3.254 -10.610 1.00 54.02 H new ATOM 0 HE1 PHE A 314 11.569 -0.169 -12.288 1.00 25.54 H new ATOM 0 HE2 PHE A 314 10.601 2.831 -9.460 1.00 54.21 H new ATOM 0 HZ PHE A 314 12.136 1.119 -10.294 1.00 0.53 H new ATOM 276 N LEU A 315 5.909 0.657 -15.577 1.00 41.41 N ATOM 277 CA LEU A 315 4.622 0.515 -16.182 1.00 40.44 C ATOM 278 C LEU A 315 3.693 0.174 -15.082 1.00 63.54 C ATOM 279 O LEU A 315 3.671 -0.952 -14.563 1.00 3.15 O ATOM 280 CB LEU A 315 4.581 -0.664 -17.187 1.00 75.44 C ATOM 281 CG LEU A 315 3.647 -0.466 -18.387 1.00 13.32 C ATOM 282 CD1 LEU A 315 3.980 -1.443 -19.520 1.00 22.15 C ATOM 283 CD2 LEU A 315 2.159 -0.530 -18.000 1.00 54.14 C ATOM 0 H LEU A 315 6.532 -0.143 -15.685 1.00 41.41 H new ATOM 0 HA LEU A 315 4.369 1.432 -16.715 1.00 40.44 H new ATOM 0 HB2 LEU A 315 5.591 -0.840 -17.558 1.00 75.44 H new ATOM 0 HB3 LEU A 315 4.276 -1.565 -16.654 1.00 75.44 H new ATOM 0 HG LEU A 315 3.823 0.545 -18.756 1.00 13.32 H new ATOM 0 HD11 LEU A 315 3.300 -1.277 -20.355 1.00 22.15 H new ATOM 0 HD12 LEU A 315 5.006 -1.282 -19.850 1.00 22.15 H new ATOM 0 HD13 LEU A 315 3.871 -2.467 -19.162 1.00 22.15 H new ATOM 0 HD21 LEU A 315 1.545 -0.383 -18.889 1.00 54.14 H new ATOM 0 HD22 LEU A 315 1.938 -1.504 -17.563 1.00 54.14 H new ATOM 0 HD23 LEU A 315 1.938 0.252 -17.273 1.00 54.14 H new ATOM 295 N GLU A 316 3.052 1.180 -14.599 1.00 75.43 N ATOM 296 CA GLU A 316 1.945 1.060 -13.765 1.00 15.30 C ATOM 297 C GLU A 316 1.094 2.190 -14.184 1.00 13.31 C ATOM 298 O GLU A 316 0.071 2.088 -14.838 1.00 42.02 O ATOM 299 CB GLU A 316 2.268 1.128 -12.249 1.00 32.43 C ATOM 300 CG GLU A 316 3.784 1.221 -11.948 1.00 3.53 C ATOM 301 CD GLU A 316 3.987 1.690 -10.531 1.00 41.11 C ATOM 302 OE1 GLU A 316 3.338 2.715 -10.134 1.00 20.13 O ATOM 303 OE2 GLU A 316 4.852 1.158 -9.852 1.00 71.34 O ATOM 0 H GLU A 316 3.311 2.147 -14.794 1.00 75.43 H new ATOM 0 HA GLU A 316 1.478 0.080 -13.867 1.00 15.30 H new ATOM 0 HB2 GLU A 316 1.765 1.993 -11.816 1.00 32.43 H new ATOM 0 HB3 GLU A 316 1.861 0.244 -11.758 1.00 32.43 H new ATOM 0 HG2 GLU A 316 4.254 0.248 -12.091 1.00 3.53 H new ATOM 0 HG3 GLU A 316 4.262 1.912 -12.643 1.00 3.53 H new ATOM 310 N CYS A 317 1.697 3.340 -13.845 1.00 53.42 N ATOM 311 CA CYS A 317 1.130 4.649 -13.885 1.00 43.05 C ATOM 312 C CYS A 317 1.898 5.476 -14.909 1.00 2.30 C ATOM 313 O CYS A 317 1.435 6.522 -15.308 1.00 52.42 O ATOM 314 CB CYS A 317 1.393 5.327 -12.523 1.00 31.35 C ATOM 315 SG CYS A 317 3.087 4.875 -11.967 1.00 24.30 S ATOM 0 H CYS A 317 2.662 3.354 -13.515 1.00 53.42 H new ATOM 0 HA CYS A 317 0.068 4.585 -14.121 1.00 43.05 H new ATOM 0 HB2 CYS A 317 1.300 6.409 -12.614 1.00 31.35 H new ATOM 0 HB3 CYS A 317 0.654 5.004 -11.790 1.00 31.35 H new ATOM 320 N GLY A 318 3.126 5.027 -15.356 1.00 52.45 N ATOM 321 CA GLY A 318 3.892 5.853 -16.292 1.00 33.10 C ATOM 322 C GLY A 318 4.873 6.750 -15.558 1.00 72.43 C ATOM 323 O GLY A 318 5.372 7.720 -16.137 1.00 4.22 O ATOM 0 H GLY A 318 3.563 4.146 -15.087 1.00 52.45 H new ATOM 0 HA2 GLY A 318 4.433 5.212 -16.988 1.00 33.10 H new ATOM 0 HA3 GLY A 318 3.210 6.463 -16.884 1.00 33.10 H new ATOM 327 N HIS A 319 5.197 6.449 -14.269 1.00 34.30 N ATOM 328 CA HIS A 319 6.165 7.282 -13.525 1.00 21.20 C ATOM 329 C HIS A 319 7.526 6.813 -13.971 1.00 62.21 C ATOM 330 O HIS A 319 7.742 5.610 -14.109 1.00 54.24 O ATOM 331 CB HIS A 319 6.096 7.114 -11.962 1.00 11.44 C ATOM 332 CG HIS A 319 5.313 8.207 -11.197 1.00 55.21 C ATOM 333 ND1 HIS A 319 4.424 7.846 -10.170 1.00 71.11 N ATOM 334 CD2 HIS A 319 5.342 9.565 -11.328 1.00 41.04 C ATOM 335 CE1 HIS A 319 3.942 8.985 -9.714 1.00 32.43 C ATOM 336 NE2 HIS A 319 4.464 10.056 -10.377 1.00 24.34 N ATOM 0 H HIS A 319 4.814 5.663 -13.745 1.00 34.30 H new ATOM 0 HA HIS A 319 5.947 8.330 -13.732 1.00 21.20 H new ATOM 0 HB2 HIS A 319 5.643 6.148 -11.740 1.00 11.44 H new ATOM 0 HB3 HIS A 319 7.114 7.086 -11.574 1.00 11.44 H new ATOM 0 HD2 HIS A 319 5.929 10.139 -12.030 1.00 41.04 H new ATOM 0 HE1 HIS A 319 3.222 9.061 -8.913 1.00 32.43 H new ATOM 0 HE2 HIS A 319 4.248 11.038 -10.204 1.00 24.34 H new ATOM 344 N VAL A 320 8.469 7.740 -14.132 1.00 23.20 N ATOM 345 CA VAL A 320 9.815 7.408 -14.542 1.00 11.20 C ATOM 346 C VAL A 320 10.599 7.756 -13.344 1.00 73.52 C ATOM 347 O VAL A 320 10.547 8.903 -12.910 1.00 5.12 O ATOM 348 CB VAL A 320 10.320 8.258 -15.712 1.00 73.32 C ATOM 349 CG1 VAL A 320 11.513 7.544 -16.376 1.00 52.12 C ATOM 350 CG2 VAL A 320 9.159 8.490 -16.702 1.00 42.11 C ATOM 0 H VAL A 320 8.313 8.737 -13.980 1.00 23.20 H new ATOM 0 HA VAL A 320 9.885 6.374 -14.879 1.00 11.20 H new ATOM 0 HB VAL A 320 10.665 9.232 -15.366 1.00 73.32 H new ATOM 0 HG11 VAL A 320 11.878 8.144 -17.210 1.00 52.12 H new ATOM 0 HG12 VAL A 320 12.312 7.414 -15.646 1.00 52.12 H new ATOM 0 HG13 VAL A 320 11.195 6.568 -16.743 1.00 52.12 H new ATOM 0 HG21 VAL A 320 9.509 9.095 -17.539 1.00 42.11 H new ATOM 0 HG22 VAL A 320 8.800 7.530 -17.073 1.00 42.11 H new ATOM 0 HG23 VAL A 320 8.346 9.010 -16.194 1.00 42.11 H new ATOM 360 N CYS A 321 11.300 6.785 -12.705 1.00 65.43 N ATOM 361 CA CYS A 321 11.968 7.183 -11.472 1.00 0.22 C ATOM 362 C CYS A 321 13.175 6.341 -11.157 1.00 51.53 C ATOM 363 O CYS A 321 13.977 6.731 -10.288 1.00 51.33 O ATOM 364 CB CYS A 321 11.020 7.166 -10.233 1.00 24.13 C ATOM 365 SG CYS A 321 9.544 6.104 -10.462 1.00 22.10 S ATOM 0 H CYS A 321 11.406 5.814 -12.998 1.00 65.43 H new ATOM 0 HA CYS A 321 12.288 8.207 -11.663 1.00 0.22 H new ATOM 0 HB2 CYS A 321 11.577 6.819 -9.363 1.00 24.13 H new ATOM 0 HB3 CYS A 321 10.696 8.184 -10.018 1.00 24.13 H new ATOM 0 HG CYS A 321 9.914 4.861 -10.552 1.00 22.10 H new ATOM 371 N SER A 322 13.397 5.192 -11.823 1.00 34.11 N ATOM 372 CA SER A 322 14.492 4.353 -11.381 1.00 22.42 C ATOM 373 C SER A 322 15.460 4.155 -12.485 1.00 62.14 C ATOM 374 O SER A 322 15.279 4.607 -13.582 1.00 5.32 O ATOM 375 CB SER A 322 14.074 2.974 -10.811 1.00 51.01 C ATOM 376 OG SER A 322 15.034 2.534 -9.816 1.00 44.43 O ATOM 0 H SER A 322 12.861 4.850 -12.620 1.00 34.11 H new ATOM 0 HA SER A 322 14.945 4.894 -10.550 1.00 22.42 H new ATOM 0 HB2 SER A 322 13.082 3.042 -10.365 1.00 51.01 H new ATOM 0 HB3 SER A 322 14.012 2.242 -11.617 1.00 51.01 H new ATOM 0 HG SER A 322 14.761 1.663 -9.460 1.00 44.43 H new ATOM 382 N CYS A 323 16.542 3.446 -12.145 1.00 5.25 N ATOM 383 CA CYS A 323 17.620 3.168 -13.046 1.00 1.21 C ATOM 384 C CYS A 323 17.652 1.686 -13.046 1.00 1.33 C ATOM 385 O CYS A 323 17.374 1.091 -11.998 1.00 5.33 O ATOM 386 CB CYS A 323 19.023 3.814 -12.610 1.00 11.13 C ATOM 387 SG CYS A 323 20.022 2.911 -11.340 1.00 60.31 S ATOM 0 H CYS A 323 16.677 3.051 -11.214 1.00 5.25 H new ATOM 0 HA CYS A 323 17.464 3.609 -14.031 1.00 1.21 H new ATOM 0 HB2 CYS A 323 19.636 3.923 -13.505 1.00 11.13 H new ATOM 0 HB3 CYS A 323 18.828 4.818 -12.233 1.00 11.13 H new ATOM 392 N THR A 324 17.960 1.070 -14.200 1.00 73.12 N ATOM 393 CA THR A 324 17.854 -0.380 -14.406 1.00 14.10 C ATOM 394 C THR A 324 18.512 -1.170 -13.297 1.00 0.50 C ATOM 395 O THR A 324 17.904 -2.081 -12.744 1.00 11.40 O ATOM 396 CB THR A 324 18.447 -0.817 -15.727 1.00 24.21 C ATOM 397 OG1 THR A 324 18.333 0.243 -16.686 1.00 40.33 O ATOM 398 CG2 THR A 324 17.710 -2.077 -16.220 1.00 22.34 C ATOM 0 H THR A 324 18.293 1.572 -15.023 1.00 73.12 H new ATOM 0 HA THR A 324 16.784 -0.590 -14.406 1.00 14.10 H new ATOM 0 HB THR A 324 19.504 -1.051 -15.599 1.00 24.21 H new ATOM 0 HG1 THR A 324 17.428 0.618 -16.653 1.00 40.33 H new ATOM 0 HG21 THR A 324 18.133 -2.397 -17.172 1.00 22.34 H new ATOM 0 HG22 THR A 324 17.823 -2.875 -15.486 1.00 22.34 H new ATOM 0 HG23 THR A 324 16.652 -1.852 -16.351 1.00 22.34 H new ATOM 406 N GLU A 325 19.748 -0.797 -12.917 1.00 32.31 N ATOM 407 CA GLU A 325 20.490 -1.573 -11.941 1.00 3.13 C ATOM 408 C GLU A 325 19.795 -1.520 -10.603 1.00 73.11 C ATOM 409 O GLU A 325 19.788 -2.481 -9.878 1.00 53.33 O ATOM 410 CB GLU A 325 21.920 -1.073 -11.756 1.00 13.20 C ATOM 411 CG GLU A 325 22.719 -1.029 -13.083 1.00 20.24 C ATOM 412 CD GLU A 325 22.871 0.418 -13.520 1.00 23.20 C ATOM 413 OE1 GLU A 325 24.034 0.916 -13.600 1.00 0.43 O ATOM 414 OE2 GLU A 325 21.800 1.063 -13.771 1.00 1.21 O ATOM 0 H GLU A 325 20.236 0.025 -13.272 1.00 32.31 H new ATOM 0 HA GLU A 325 20.530 -2.593 -12.322 1.00 3.13 H new ATOM 0 HB2 GLU A 325 21.897 -0.075 -11.318 1.00 13.20 H new ATOM 0 HB3 GLU A 325 22.437 -1.720 -11.047 1.00 13.20 H new ATOM 0 HG2 GLU A 325 23.699 -1.487 -12.948 1.00 20.24 H new ATOM 0 HG3 GLU A 325 22.203 -1.603 -13.853 1.00 20.24 H new ATOM 421 N CYS A 326 19.151 -0.379 -10.282 1.00 11.31 N ATOM 422 CA CYS A 326 18.475 -0.240 -8.982 1.00 73.35 C ATOM 423 C CYS A 326 17.317 -1.190 -8.954 1.00 74.41 C ATOM 424 O CYS A 326 16.979 -1.719 -7.914 1.00 34.23 O ATOM 425 CB CYS A 326 17.885 1.173 -8.700 1.00 12.13 C ATOM 426 SG CYS A 326 18.934 2.244 -7.682 1.00 12.13 S ATOM 0 H CYS A 326 19.086 0.438 -10.889 1.00 11.31 H new ATOM 0 HA CYS A 326 19.238 -0.437 -8.229 1.00 73.35 H new ATOM 0 HB2 CYS A 326 17.698 1.670 -9.652 1.00 12.13 H new ATOM 0 HB3 CYS A 326 16.920 1.057 -8.206 1.00 12.13 H new ATOM 431 N TYR A 327 16.620 -1.340 -10.100 1.00 1.14 N ATOM 432 CA TYR A 327 15.471 -2.207 -10.148 1.00 53.51 C ATOM 433 C TYR A 327 15.937 -3.629 -9.977 1.00 40.03 C ATOM 434 O TYR A 327 15.726 -4.239 -8.934 1.00 65.21 O ATOM 435 CB TYR A 327 14.708 -2.084 -11.514 1.00 2.03 C ATOM 436 CG TYR A 327 13.449 -2.908 -11.646 1.00 15.30 C ATOM 437 CD1 TYR A 327 12.274 -2.494 -11.061 1.00 15.14 C ATOM 438 CD2 TYR A 327 13.448 -4.085 -12.373 1.00 22.40 C ATOM 439 CE1 TYR A 327 11.128 -3.237 -11.194 1.00 25.31 C ATOM 440 CE2 TYR A 327 12.298 -4.827 -12.501 1.00 42.42 C ATOM 441 CZ TYR A 327 11.138 -4.401 -11.911 1.00 12.12 C ATOM 442 OH TYR A 327 9.955 -5.159 -12.030 1.00 32.23 O ATOM 0 H TYR A 327 16.844 -0.872 -10.979 1.00 1.14 H new ATOM 0 HA TYR A 327 14.787 -1.916 -9.351 1.00 53.51 H new ATOM 0 HB2 TYR A 327 14.451 -1.036 -11.671 1.00 2.03 H new ATOM 0 HB3 TYR A 327 15.390 -2.368 -12.315 1.00 2.03 H new ATOM 0 HD1 TYR A 327 12.254 -1.576 -10.492 1.00 15.14 H new ATOM 0 HD2 TYR A 327 14.359 -4.424 -12.844 1.00 22.40 H new ATOM 0 HE1 TYR A 327 10.213 -2.900 -10.730 1.00 25.31 H new ATOM 0 HE2 TYR A 327 12.309 -5.747 -13.067 1.00 42.42 H new ATOM 0 HH TYR A 327 10.131 -5.956 -12.572 1.00 32.23 H new ATOM 452 N ARG A 328 16.750 -4.105 -10.944 1.00 14.23 N ATOM 453 CA ARG A 328 17.085 -5.518 -11.035 1.00 1.44 C ATOM 454 C ARG A 328 17.870 -5.986 -9.832 1.00 2.01 C ATOM 455 O ARG A 328 17.831 -7.171 -9.476 1.00 33.14 O ATOM 456 CB ARG A 328 17.823 -5.902 -12.338 1.00 60.12 C ATOM 457 CG ARG A 328 19.145 -5.166 -12.576 1.00 4.13 C ATOM 458 CD ARG A 328 20.299 -6.133 -12.839 1.00 42.02 C ATOM 459 NE ARG A 328 21.510 -5.347 -13.231 1.00 74.14 N ATOM 460 CZ ARG A 328 22.374 -4.869 -12.280 1.00 61.41 C ATOM 461 NH1 ARG A 328 22.072 -4.988 -10.948 1.00 40.03 N ATOM 462 NH2 ARG A 328 23.534 -4.256 -12.665 1.00 74.14 N ATOM 0 H ARG A 328 17.179 -3.524 -11.664 1.00 14.23 H new ATOM 0 HA ARG A 328 16.125 -6.035 -11.055 1.00 1.44 H new ATOM 0 HB2 ARG A 328 18.019 -6.974 -12.324 1.00 60.12 H new ATOM 0 HB3 ARG A 328 17.161 -5.710 -13.182 1.00 60.12 H new ATOM 0 HG2 ARG A 328 19.037 -4.491 -13.425 1.00 4.13 H new ATOM 0 HG3 ARG A 328 19.379 -4.550 -11.707 1.00 4.13 H new ATOM 0 HD2 ARG A 328 20.506 -6.724 -11.947 1.00 42.02 H new ATOM 0 HD3 ARG A 328 20.031 -6.833 -13.631 1.00 42.02 H new ATOM 0 HE ARG A 328 21.695 -5.165 -14.217 1.00 74.14 H new ATOM 0 HH11 ARG A 328 21.201 -5.434 -10.660 1.00 40.03 H new ATOM 0 HH12 ARG A 328 22.718 -4.631 -10.245 1.00 40.03 H new ATOM 0 HH21 ARG A 328 23.753 -4.156 -13.656 1.00 74.14 H new ATOM 0 HH22 ARG A 328 24.180 -3.899 -11.961 1.00 74.14 H new ATOM 476 N ALA A 329 18.589 -5.065 -9.174 1.00 34.12 N ATOM 477 CA ALA A 329 19.355 -5.428 -8.013 1.00 32.33 C ATOM 478 C ALA A 329 18.420 -5.608 -6.855 1.00 20.24 C ATOM 479 O ALA A 329 18.433 -6.636 -6.224 1.00 24.43 O ATOM 480 CB ALA A 329 20.397 -4.367 -7.596 1.00 35.35 C ATOM 0 H ALA A 329 18.645 -4.081 -9.435 1.00 34.12 H new ATOM 0 HA ALA A 329 19.891 -6.340 -8.274 1.00 32.33 H new ATOM 0 HB1 ALA A 329 20.935 -4.713 -6.713 1.00 35.35 H new ATOM 0 HB2 ALA A 329 21.102 -4.209 -8.412 1.00 35.35 H new ATOM 0 HB3 ALA A 329 19.890 -3.429 -7.368 1.00 35.35 H new ATOM 486 N LEU A 330 17.591 -4.574 -6.576 1.00 55.31 N ATOM 487 CA LEU A 330 16.753 -4.526 -5.360 1.00 12.04 C ATOM 488 C LEU A 330 15.635 -5.519 -5.475 1.00 34.21 C ATOM 489 O LEU A 330 14.689 -5.275 -6.209 1.00 64.45 O ATOM 490 CB LEU A 330 16.096 -3.123 -5.173 1.00 2.21 C ATOM 491 CG LEU A 330 15.174 -2.977 -3.937 1.00 11.05 C ATOM 492 CD1 LEU A 330 15.796 -3.510 -2.642 1.00 21.32 C ATOM 493 CD2 LEU A 330 14.656 -1.539 -3.771 1.00 35.24 C ATOM 0 H LEU A 330 17.487 -3.760 -7.181 1.00 55.31 H new ATOM 0 HA LEU A 330 17.403 -4.748 -4.514 1.00 12.04 H new ATOM 0 HB2 LEU A 330 16.888 -2.377 -5.104 1.00 2.21 H new ATOM 0 HB3 LEU A 330 15.516 -2.891 -6.066 1.00 2.21 H new ATOM 0 HG LEU A 330 14.314 -3.616 -4.138 1.00 11.05 H new ATOM 0 HD11 LEU A 330 15.094 -3.375 -1.819 1.00 21.32 H new ATOM 0 HD12 LEU A 330 16.022 -4.570 -2.756 1.00 21.32 H new ATOM 0 HD13 LEU A 330 16.715 -2.964 -2.428 1.00 21.32 H new ATOM 0 HD21 LEU A 330 14.014 -1.483 -2.892 1.00 35.24 H new ATOM 0 HD22 LEU A 330 15.500 -0.860 -3.648 1.00 35.24 H new ATOM 0 HD23 LEU A 330 14.087 -1.253 -4.655 1.00 35.24 H new ATOM 505 N PRO A 331 15.662 -6.650 -4.760 1.00 43.45 N ATOM 506 CA PRO A 331 14.540 -7.532 -4.856 1.00 14.23 C ATOM 507 C PRO A 331 13.560 -7.333 -3.729 1.00 32.41 C ATOM 508 O PRO A 331 13.859 -7.559 -2.547 1.00 72.24 O ATOM 509 CB PRO A 331 15.220 -8.905 -4.722 1.00 20.10 C ATOM 510 CG PRO A 331 16.501 -8.644 -3.883 1.00 42.23 C ATOM 511 CD PRO A 331 16.676 -7.120 -3.825 1.00 11.40 C ATOM 0 HA PRO A 331 13.959 -7.387 -5.766 1.00 14.23 H new ATOM 0 HB2 PRO A 331 14.565 -9.622 -4.228 1.00 20.10 H new ATOM 0 HB3 PRO A 331 15.467 -9.319 -5.699 1.00 20.10 H new ATOM 0 HG2 PRO A 331 16.401 -9.062 -2.881 1.00 42.23 H new ATOM 0 HG3 PRO A 331 17.369 -9.118 -4.341 1.00 42.23 H new ATOM 0 HD2 PRO A 331 16.513 -6.731 -2.820 1.00 11.40 H new ATOM 0 HD3 PRO A 331 17.678 -6.815 -4.126 1.00 11.40 H new ATOM 519 N GLU A 332 12.393 -6.871 -4.093 1.00 4.04 N ATOM 520 CA GLU A 332 11.220 -6.836 -3.278 1.00 11.33 C ATOM 521 C GLU A 332 10.184 -6.936 -4.323 1.00 1.43 C ATOM 522 O GLU A 332 10.533 -7.003 -5.506 1.00 51.41 O ATOM 523 CB GLU A 332 11.039 -5.504 -2.474 1.00 42.54 C ATOM 524 CG GLU A 332 11.927 -4.344 -2.973 1.00 31.41 C ATOM 525 CD GLU A 332 11.288 -3.020 -2.569 1.00 12.14 C ATOM 526 OE1 GLU A 332 10.763 -2.939 -1.429 1.00 22.30 O ATOM 527 OE2 GLU A 332 11.301 -2.072 -3.398 1.00 13.13 O ATOM 0 H GLU A 332 12.233 -6.487 -5.024 1.00 4.04 H new ATOM 0 HA GLU A 332 11.217 -7.603 -2.503 1.00 11.33 H new ATOM 0 HB2 GLU A 332 9.994 -5.198 -2.529 1.00 42.54 H new ATOM 0 HB3 GLU A 332 11.261 -5.692 -1.424 1.00 42.54 H new ATOM 0 HG2 GLU A 332 12.927 -4.425 -2.547 1.00 31.41 H new ATOM 0 HG3 GLU A 332 12.037 -4.394 -4.056 1.00 31.41 H new ATOM 534 N PRO A 333 8.920 -6.972 -3.980 1.00 43.41 N ATOM 535 CA PRO A 333 7.963 -6.512 -4.950 1.00 0.21 C ATOM 536 C PRO A 333 8.069 -5.014 -4.878 1.00 55.03 C ATOM 537 O PRO A 333 7.843 -4.427 -3.810 1.00 73.34 O ATOM 538 CB PRO A 333 6.598 -6.983 -4.428 1.00 53.41 C ATOM 539 CG PRO A 333 6.820 -7.395 -2.964 1.00 33.34 C ATOM 540 CD PRO A 333 8.336 -7.507 -2.746 1.00 61.22 C ATOM 0 HA PRO A 333 8.110 -6.867 -5.970 1.00 0.21 H new ATOM 0 HB2 PRO A 333 5.857 -6.187 -4.501 1.00 53.41 H new ATOM 0 HB3 PRO A 333 6.224 -7.821 -5.016 1.00 53.41 H new ATOM 0 HG2 PRO A 333 6.388 -6.658 -2.288 1.00 33.34 H new ATOM 0 HG3 PRO A 333 6.330 -8.346 -2.754 1.00 33.34 H new ATOM 0 HD2 PRO A 333 8.656 -6.936 -1.874 1.00 61.22 H new ATOM 0 HD3 PRO A 333 8.638 -8.541 -2.578 1.00 61.22 H new ATOM 548 N LYS A 334 8.410 -4.357 -5.975 1.00 63.34 N ATOM 549 CA LYS A 334 8.730 -2.962 -5.877 1.00 42.33 C ATOM 550 C LYS A 334 7.506 -2.162 -6.035 1.00 74.32 C ATOM 551 O LYS A 334 6.612 -2.497 -6.814 1.00 41.42 O ATOM 552 CB LYS A 334 9.782 -2.497 -6.901 1.00 1.23 C ATOM 553 CG LYS A 334 11.213 -2.888 -6.518 1.00 33.31 C ATOM 554 CD LYS A 334 11.971 -3.597 -7.632 1.00 65.11 C ATOM 555 CE LYS A 334 11.734 -5.103 -7.625 1.00 3.41 C ATOM 556 NZ LYS A 334 11.838 -5.668 -8.981 1.00 42.02 N ATOM 0 H LYS A 334 8.469 -4.760 -6.910 1.00 63.34 H new ATOM 0 HA LYS A 334 9.167 -2.813 -4.890 1.00 42.33 H new ATOM 0 HB2 LYS A 334 9.544 -2.924 -7.875 1.00 1.23 H new ATOM 0 HB3 LYS A 334 9.724 -1.414 -7.005 1.00 1.23 H new ATOM 0 HG2 LYS A 334 11.761 -1.991 -6.231 1.00 33.31 H new ATOM 0 HG3 LYS A 334 11.181 -3.536 -5.642 1.00 33.31 H new ATOM 0 HD2 LYS A 334 11.665 -3.188 -8.595 1.00 65.11 H new ATOM 0 HD3 LYS A 334 13.038 -3.399 -7.526 1.00 65.11 H new ATOM 0 HE2 LYS A 334 12.461 -5.585 -6.971 1.00 3.41 H new ATOM 0 HE3 LYS A 334 10.747 -5.316 -7.215 1.00 3.41 H new ATOM 0 HZ1 LYS A 334 11.180 -6.468 -9.075 1.00 42.02 H new ATOM 0 HZ2 LYS A 334 11.597 -4.937 -9.681 1.00 42.02 H new ATOM 0 HZ3 LYS A 334 12.810 -5.998 -9.146 1.00 42.02 H new ATOM 570 N LYS A 335 7.439 -1.096 -5.244 1.00 53.21 N ATOM 571 CA LYS A 335 6.362 -0.180 -5.298 1.00 2.12 C ATOM 572 C LYS A 335 6.924 1.032 -5.946 1.00 32.14 C ATOM 573 O LYS A 335 8.120 1.297 -5.864 1.00 5.11 O ATOM 574 CB LYS A 335 5.812 0.220 -3.900 1.00 11.43 C ATOM 575 CG LYS A 335 5.440 -0.987 -3.014 1.00 64.11 C ATOM 576 CD LYS A 335 4.087 -1.628 -3.389 1.00 32.13 C ATOM 577 CE LYS A 335 4.203 -3.073 -3.894 1.00 3.03 C ATOM 578 NZ LYS A 335 4.943 -3.902 -2.924 1.00 3.33 N ATOM 0 H LYS A 335 8.149 -0.863 -4.550 1.00 53.21 H new ATOM 0 HA LYS A 335 5.526 -0.633 -5.831 1.00 2.12 H new ATOM 0 HB2 LYS A 335 6.559 0.822 -3.384 1.00 11.43 H new ATOM 0 HB3 LYS A 335 4.931 0.849 -4.032 1.00 11.43 H new ATOM 0 HG2 LYS A 335 6.224 -1.740 -3.091 1.00 64.11 H new ATOM 0 HG3 LYS A 335 5.406 -0.667 -1.973 1.00 64.11 H new ATOM 0 HD2 LYS A 335 3.433 -1.609 -2.517 1.00 32.13 H new ATOM 0 HD3 LYS A 335 3.609 -1.022 -4.159 1.00 32.13 H new ATOM 0 HE2 LYS A 335 3.208 -3.490 -4.053 1.00 3.03 H new ATOM 0 HE3 LYS A 335 4.713 -3.088 -4.857 1.00 3.03 H new ATOM 0 HZ1 LYS A 335 4.466 -4.820 -2.817 1.00 3.33 H new ATOM 0 HZ2 LYS A 335 5.914 -4.053 -3.266 1.00 3.33 H new ATOM 0 HZ3 LYS A 335 4.972 -3.418 -2.004 1.00 3.33 H new ATOM 592 N CYS A 336 6.063 1.775 -6.646 1.00 61.41 N ATOM 593 CA CYS A 336 6.421 3.029 -7.279 1.00 71.43 C ATOM 594 C CYS A 336 6.921 3.937 -6.178 1.00 61.25 C ATOM 595 O CYS A 336 6.154 4.310 -5.337 1.00 34.14 O ATOM 596 CB CYS A 336 5.188 3.727 -7.924 1.00 32.33 C ATOM 597 SG CYS A 336 5.603 4.757 -9.378 1.00 64.11 S ATOM 0 H CYS A 336 5.088 1.512 -6.786 1.00 61.41 H new ATOM 0 HA CYS A 336 7.158 2.838 -8.059 1.00 71.43 H new ATOM 0 HB2 CYS A 336 4.466 2.967 -8.223 1.00 32.33 H new ATOM 0 HB3 CYS A 336 4.702 4.351 -7.174 1.00 32.33 H new ATOM 602 N PRO A 337 8.167 4.360 -6.224 1.00 34.42 N ATOM 603 CA PRO A 337 8.740 5.192 -5.145 1.00 21.33 C ATOM 604 C PRO A 337 8.078 6.539 -4.994 1.00 73.22 C ATOM 605 O PRO A 337 8.300 7.237 -4.023 1.00 63.54 O ATOM 606 CB PRO A 337 10.219 5.357 -5.533 1.00 45.24 C ATOM 607 CG PRO A 337 10.262 5.064 -7.029 1.00 3.53 C ATOM 608 CD PRO A 337 9.141 4.066 -7.286 1.00 43.01 C ATOM 0 HA PRO A 337 8.592 4.712 -4.178 1.00 21.33 H new ATOM 0 HB2 PRO A 337 10.575 6.364 -5.316 1.00 45.24 H new ATOM 0 HB3 PRO A 337 10.854 4.668 -4.976 1.00 45.24 H new ATOM 0 HG2 PRO A 337 10.117 5.974 -7.611 1.00 3.53 H new ATOM 0 HG3 PRO A 337 11.228 4.651 -7.319 1.00 3.53 H new ATOM 0 HD2 PRO A 337 8.706 4.198 -8.277 1.00 43.01 H new ATOM 0 HD3 PRO A 337 9.498 3.038 -7.229 1.00 43.01 H new ATOM 616 N ILE A 338 7.284 6.938 -6.005 1.00 63.43 N ATOM 617 CA ILE A 338 6.604 8.197 -5.959 1.00 31.43 C ATOM 618 C ILE A 338 5.180 7.984 -5.474 1.00 42.52 C ATOM 619 O ILE A 338 4.680 8.754 -4.684 1.00 3.14 O ATOM 620 CB ILE A 338 6.534 8.902 -7.317 1.00 53.34 C ATOM 621 CG1 ILE A 338 7.714 8.521 -8.237 1.00 0.02 C ATOM 622 CG2 ILE A 338 6.488 10.416 -7.077 1.00 15.10 C ATOM 623 CD1 ILE A 338 9.051 9.086 -7.764 1.00 54.23 C ATOM 0 H ILE A 338 7.113 6.393 -6.850 1.00 63.43 H new ATOM 0 HA ILE A 338 7.178 8.829 -5.281 1.00 31.43 H new ATOM 0 HB ILE A 338 5.631 8.578 -7.835 1.00 53.34 H new ATOM 0 HG12 ILE A 338 7.786 7.435 -8.295 1.00 0.02 H new ATOM 0 HG13 ILE A 338 7.511 8.881 -9.246 1.00 0.02 H new ATOM 0 HG21 ILE A 338 6.438 10.935 -8.034 1.00 15.10 H new ATOM 0 HG22 ILE A 338 5.608 10.664 -6.484 1.00 15.10 H new ATOM 0 HG23 ILE A 338 7.385 10.727 -6.542 1.00 15.10 H new ATOM 0 HD11 ILE A 338 9.839 8.782 -8.453 1.00 54.23 H new ATOM 0 HD12 ILE A 338 8.996 10.174 -7.733 1.00 54.23 H new ATOM 0 HD13 ILE A 338 9.275 8.706 -6.767 1.00 54.23 H new ATOM 635 N CYS A 339 4.502 6.885 -5.920 1.00 23.50 N ATOM 636 CA CYS A 339 3.048 6.810 -5.695 1.00 62.11 C ATOM 637 C CYS A 339 2.660 5.555 -4.911 1.00 22.20 C ATOM 638 O CYS A 339 1.502 5.356 -4.618 1.00 44.02 O ATOM 639 CB CYS A 339 2.224 6.895 -7.034 1.00 74.34 C ATOM 640 SG CYS A 339 2.286 5.381 -8.040 1.00 23.45 S ATOM 0 H CYS A 339 4.917 6.091 -6.407 1.00 23.50 H new ATOM 0 HA CYS A 339 2.792 7.684 -5.096 1.00 62.11 H new ATOM 0 HB2 CYS A 339 1.184 7.117 -6.795 1.00 74.34 H new ATOM 0 HB3 CYS A 339 2.600 7.729 -7.627 1.00 74.34 H new ATOM 645 N ARG A 340 3.635 4.671 -4.625 1.00 0.23 N ATOM 646 CA ARG A 340 3.428 3.452 -3.812 1.00 44.01 C ATOM 647 C ARG A 340 2.573 2.395 -4.501 1.00 41.33 C ATOM 648 O ARG A 340 2.205 1.406 -3.884 1.00 40.31 O ATOM 649 CB ARG A 340 2.920 3.687 -2.374 1.00 2.21 C ATOM 650 CG ARG A 340 3.749 4.727 -1.604 1.00 62.24 C ATOM 651 CD ARG A 340 5.234 4.340 -1.443 1.00 24.30 C ATOM 652 NE ARG A 340 6.034 5.599 -1.406 1.00 41.44 N ATOM 653 CZ ARG A 340 7.372 5.569 -1.111 1.00 5.34 C ATOM 654 NH1 ARG A 340 8.002 4.377 -0.855 1.00 52.12 N ATOM 655 NH2 ARG A 340 8.079 6.735 -1.077 1.00 23.13 N ATOM 0 H ARG A 340 4.595 4.781 -4.952 1.00 0.23 H new ATOM 0 HA ARG A 340 4.444 3.069 -3.718 1.00 44.01 H new ATOM 0 HB2 ARG A 340 1.881 4.015 -2.411 1.00 2.21 H new ATOM 0 HB3 ARG A 340 2.937 2.743 -1.830 1.00 2.21 H new ATOM 0 HG2 ARG A 340 3.686 5.684 -2.122 1.00 62.24 H new ATOM 0 HG3 ARG A 340 3.311 4.869 -0.616 1.00 62.24 H new ATOM 0 HD2 ARG A 340 5.382 3.767 -0.528 1.00 24.30 H new ATOM 0 HD3 ARG A 340 5.556 3.708 -2.271 1.00 24.30 H new ATOM 0 HE ARG A 340 5.580 6.491 -1.602 1.00 41.44 H new ATOM 0 HH11 ARG A 340 7.474 3.505 -0.884 1.00 52.12 H new ATOM 0 HH12 ARG A 340 8.998 4.363 -0.636 1.00 52.12 H new ATOM 0 HH21 ARG A 340 7.612 7.621 -1.270 1.00 23.13 H new ATOM 0 HH22 ARG A 340 9.075 6.721 -0.858 1.00 23.13 H new ATOM 669 N GLN A 341 2.243 2.571 -5.799 1.00 53.15 N ATOM 670 CA GLN A 341 1.512 1.524 -6.526 1.00 53.13 C ATOM 671 C GLN A 341 2.520 0.472 -6.871 1.00 72.12 C ATOM 672 O GLN A 341 3.663 0.804 -7.148 1.00 65.32 O ATOM 673 CB GLN A 341 0.961 1.988 -7.875 1.00 23.21 C ATOM 674 CG GLN A 341 -0.267 2.889 -7.798 1.00 72.31 C ATOM 675 CD GLN A 341 -0.419 3.529 -9.174 1.00 1.15 C ATOM 676 OE1 GLN A 341 0.596 3.842 -9.837 1.00 63.43 O ATOM 677 NE2 GLN A 341 -1.656 3.717 -9.634 1.00 64.15 N ATOM 0 H GLN A 341 2.465 3.403 -6.346 1.00 53.15 H new ATOM 0 HA GLN A 341 0.683 1.204 -5.894 1.00 53.13 H new ATOM 0 HB2 GLN A 341 1.749 2.519 -8.408 1.00 23.21 H new ATOM 0 HB3 GLN A 341 0.711 1.109 -8.469 1.00 23.21 H new ATOM 0 HG2 GLN A 341 -1.155 2.313 -7.537 1.00 72.31 H new ATOM 0 HG3 GLN A 341 -0.143 3.650 -7.027 1.00 72.31 H new ATOM 0 HE21 GLN A 341 -2.458 3.449 -9.064 1.00 64.15 H new ATOM 0 HE22 GLN A 341 -1.800 4.129 -10.556 1.00 64.15 H new ATOM 686 N ALA A 342 2.099 -0.804 -6.865 1.00 72.33 N ATOM 687 CA ALA A 342 2.962 -1.926 -7.250 1.00 40.11 C ATOM 688 C ALA A 342 3.423 -1.737 -8.687 1.00 22.54 C ATOM 689 O ALA A 342 2.732 -1.116 -9.512 1.00 31.10 O ATOM 690 CB ALA A 342 2.261 -3.294 -7.156 1.00 13.42 C ATOM 0 H ALA A 342 1.156 -1.082 -6.594 1.00 72.33 H new ATOM 0 HA ALA A 342 3.797 -1.927 -6.549 1.00 40.11 H new ATOM 0 HB1 ALA A 342 2.955 -4.080 -7.454 1.00 13.42 H new ATOM 0 HB2 ALA A 342 1.937 -3.467 -6.130 1.00 13.42 H new ATOM 0 HB3 ALA A 342 1.394 -3.305 -7.817 1.00 13.42 H new ATOM 696 N ILE A 343 4.612 -2.273 -9.005 1.00 72.15 N ATOM 697 CA ILE A 343 5.157 -2.172 -10.329 1.00 61.45 C ATOM 698 C ILE A 343 4.679 -3.364 -11.105 1.00 71.34 C ATOM 699 O ILE A 343 4.842 -4.508 -10.688 1.00 40.31 O ATOM 700 CB ILE A 343 6.677 -2.102 -10.328 1.00 13.03 C ATOM 701 CG1 ILE A 343 7.123 -0.815 -9.619 1.00 23.30 C ATOM 702 CG2 ILE A 343 7.211 -2.161 -11.775 1.00 44.44 C ATOM 703 CD1 ILE A 343 8.604 -0.728 -9.402 1.00 45.33 C ATOM 0 H ILE A 343 5.202 -2.780 -8.345 1.00 72.15 H new ATOM 0 HA ILE A 343 4.816 -1.244 -10.789 1.00 61.45 H new ATOM 0 HB ILE A 343 7.087 -2.956 -9.789 1.00 13.03 H new ATOM 0 HG12 ILE A 343 6.800 0.044 -10.207 1.00 23.30 H new ATOM 0 HG13 ILE A 343 6.619 -0.749 -8.655 1.00 23.30 H new ATOM 0 HG21 ILE A 343 8.300 -2.110 -11.763 1.00 44.44 H new ATOM 0 HG22 ILE A 343 6.896 -3.095 -12.241 1.00 44.44 H new ATOM 0 HG23 ILE A 343 6.815 -1.320 -12.344 1.00 44.44 H new ATOM 0 HD11 ILE A 343 8.843 0.208 -8.897 1.00 45.33 H new ATOM 0 HD12 ILE A 343 8.932 -1.567 -8.788 1.00 45.33 H new ATOM 0 HD13 ILE A 343 9.115 -0.762 -10.364 1.00 45.33 H new ATOM 715 N THR A 344 4.078 -3.093 -12.275 1.00 34.40 N ATOM 716 CA THR A 344 3.538 -4.130 -13.095 1.00 43.12 C ATOM 717 C THR A 344 4.569 -4.461 -14.167 1.00 75.41 C ATOM 718 O THR A 344 4.694 -5.617 -14.592 1.00 13.44 O ATOM 719 CB THR A 344 2.204 -3.695 -13.699 1.00 21.25 C ATOM 720 OG1 THR A 344 1.166 -3.855 -12.737 1.00 55.15 O ATOM 721 CG2 THR A 344 1.868 -4.473 -14.981 1.00 63.24 C ATOM 0 H THR A 344 3.966 -2.153 -12.654 1.00 34.40 H new ATOM 0 HA THR A 344 3.334 -5.023 -12.505 1.00 43.12 H new ATOM 0 HB THR A 344 2.290 -2.644 -13.974 1.00 21.25 H new ATOM 0 HG1 THR A 344 0.312 -3.573 -13.127 1.00 55.15 H new ATOM 0 HG21 THR A 344 0.911 -4.130 -15.375 1.00 63.24 H new ATOM 0 HG22 THR A 344 2.648 -4.304 -15.724 1.00 63.24 H new ATOM 0 HG23 THR A 344 1.807 -5.538 -14.755 1.00 63.24 H new ATOM 729 N ARG A 345 5.370 -3.479 -14.569 1.00 24.51 N ATOM 730 CA ARG A 345 6.364 -3.731 -15.577 1.00 0.13 C ATOM 731 C ARG A 345 7.327 -2.621 -15.529 1.00 24.52 C ATOM 732 O ARG A 345 7.115 -1.633 -14.841 1.00 52.01 O ATOM 733 CB ARG A 345 5.806 -3.863 -17.029 1.00 40.52 C ATOM 734 CG ARG A 345 6.132 -5.211 -17.674 1.00 75.14 C ATOM 735 CD ARG A 345 7.192 -5.114 -18.780 1.00 64.11 C ATOM 736 NE ARG A 345 7.869 -6.451 -18.878 1.00 73.23 N ATOM 737 CZ ARG A 345 9.203 -6.624 -18.569 1.00 42.14 C ATOM 738 NH1 ARG A 345 9.998 -5.557 -18.255 1.00 41.43 N ATOM 739 NH2 ARG A 345 9.746 -7.877 -18.605 1.00 4.44 N ATOM 0 H ARG A 345 5.344 -2.523 -14.214 1.00 24.51 H new ATOM 0 HA ARG A 345 6.814 -4.698 -15.352 1.00 0.13 H new ATOM 0 HB2 ARG A 345 4.725 -3.727 -17.011 1.00 40.52 H new ATOM 0 HB3 ARG A 345 6.217 -3.063 -17.645 1.00 40.52 H new ATOM 0 HG2 ARG A 345 6.482 -5.899 -16.904 1.00 75.14 H new ATOM 0 HG3 ARG A 345 5.219 -5.637 -18.091 1.00 75.14 H new ATOM 0 HD2 ARG A 345 6.730 -4.848 -19.731 1.00 64.11 H new ATOM 0 HD3 ARG A 345 7.917 -4.334 -18.548 1.00 64.11 H new ATOM 0 HE ARG A 345 7.325 -7.258 -19.183 1.00 73.23 H new ATOM 0 HH11 ARG A 345 9.607 -4.615 -18.247 1.00 41.43 H new ATOM 0 HH12 ARG A 345 10.982 -5.703 -18.029 1.00 41.43 H new ATOM 0 HH21 ARG A 345 9.166 -8.677 -18.859 1.00 4.44 H new ATOM 0 HH22 ARG A 345 10.731 -8.013 -18.378 1.00 4.44 H new ATOM 753 N VAL A 346 8.418 -2.780 -16.256 1.00 34.30 N ATOM 754 CA VAL A 346 9.427 -1.785 -16.300 1.00 20.22 C ATOM 755 C VAL A 346 9.807 -1.647 -17.740 1.00 64.23 C ATOM 756 O VAL A 346 10.032 -2.634 -18.434 1.00 41.44 O ATOM 757 CB VAL A 346 10.649 -2.116 -15.438 1.00 22.53 C ATOM 758 CG1 VAL A 346 11.193 -3.521 -15.776 1.00 40.31 C ATOM 759 CG2 VAL A 346 11.705 -1.006 -15.583 1.00 44.52 C ATOM 0 H VAL A 346 8.612 -3.605 -16.823 1.00 34.30 H new ATOM 0 HA VAL A 346 9.043 -0.854 -15.884 1.00 20.22 H new ATOM 0 HB VAL A 346 10.360 -2.149 -14.387 1.00 22.53 H new ATOM 0 HG11 VAL A 346 12.061 -3.735 -15.152 1.00 40.31 H new ATOM 0 HG12 VAL A 346 10.419 -4.265 -15.589 1.00 40.31 H new ATOM 0 HG13 VAL A 346 11.484 -3.556 -16.826 1.00 40.31 H new ATOM 0 HG21 VAL A 346 12.572 -1.246 -14.968 1.00 44.52 H new ATOM 0 HG22 VAL A 346 12.011 -0.929 -16.626 1.00 44.52 H new ATOM 0 HG23 VAL A 346 11.281 -0.056 -15.258 1.00 44.52 H new ATOM 769 N ILE A 347 9.783 -0.408 -18.227 1.00 42.12 N ATOM 770 CA ILE A 347 10.164 -0.110 -19.571 1.00 60.23 C ATOM 771 C ILE A 347 11.485 0.616 -19.469 1.00 63.13 C ATOM 772 O ILE A 347 11.559 1.699 -18.880 1.00 53.02 O ATOM 773 CB ILE A 347 9.172 0.829 -20.251 1.00 15.40 C ATOM 774 CG1 ILE A 347 7.722 0.360 -20.035 1.00 12.44 C ATOM 775 CG2 ILE A 347 9.513 0.933 -21.741 1.00 1.03 C ATOM 776 CD1 ILE A 347 6.919 1.310 -19.167 1.00 60.32 C ATOM 0 H ILE A 347 9.495 0.407 -17.685 1.00 42.12 H new ATOM 0 HA ILE A 347 10.208 -1.030 -20.154 1.00 60.23 H new ATOM 0 HB ILE A 347 9.253 1.819 -19.802 1.00 15.40 H new ATOM 0 HG12 ILE A 347 7.231 0.256 -21.003 1.00 12.44 H new ATOM 0 HG13 ILE A 347 7.729 -0.628 -19.574 1.00 12.44 H new ATOM 0 HG21 ILE A 347 8.806 1.603 -22.230 1.00 1.03 H new ATOM 0 HG22 ILE A 347 10.524 1.325 -21.856 1.00 1.03 H new ATOM 0 HG23 ILE A 347 9.452 -0.055 -22.198 1.00 1.03 H new ATOM 0 HD11 ILE A 347 5.905 0.927 -19.050 1.00 60.32 H new ATOM 0 HD12 ILE A 347 7.390 1.395 -18.188 1.00 60.32 H new ATOM 0 HD13 ILE A 347 6.884 2.292 -19.639 1.00 60.32 H new ATOM 788 N PRO A 348 12.556 0.028 -19.997 1.00 41.14 N ATOM 789 CA PRO A 348 13.843 0.688 -19.989 1.00 43.13 C ATOM 790 C PRO A 348 13.930 1.779 -21.021 1.00 35.30 C ATOM 791 O PRO A 348 13.402 1.651 -22.147 1.00 25.30 O ATOM 792 CB PRO A 348 14.861 -0.426 -20.280 1.00 53.14 C ATOM 793 CG PRO A 348 14.071 -1.486 -21.044 1.00 51.43 C ATOM 794 CD PRO A 348 12.611 -1.321 -20.602 1.00 51.21 C ATOM 0 HA PRO A 348 14.027 1.182 -19.035 1.00 43.13 H new ATOM 0 HB2 PRO A 348 15.697 -0.053 -20.871 1.00 53.14 H new ATOM 0 HB3 PRO A 348 15.278 -0.831 -19.358 1.00 53.14 H new ATOM 0 HG2 PRO A 348 14.171 -1.348 -22.121 1.00 51.43 H new ATOM 0 HG3 PRO A 348 14.438 -2.487 -20.816 1.00 51.43 H new ATOM 0 HD2 PRO A 348 11.929 -1.405 -21.448 1.00 51.21 H new ATOM 0 HD3 PRO A 348 12.325 -2.090 -19.884 1.00 51.21 H new ATOM 802 N LEU A 349 14.611 2.863 -20.659 1.00 53.12 N ATOM 803 CA LEU A 349 14.793 3.975 -21.530 1.00 21.10 C ATOM 804 C LEU A 349 16.253 3.995 -21.754 1.00 60.53 C ATOM 805 O LEU A 349 17.003 4.492 -20.921 1.00 41.33 O ATOM 806 CB LEU A 349 14.377 5.334 -20.881 1.00 23.30 C ATOM 807 CG LEU A 349 13.012 5.873 -21.368 1.00 64.42 C ATOM 808 CD1 LEU A 349 11.930 4.783 -21.495 1.00 32.20 C ATOM 809 CD2 LEU A 349 12.532 7.075 -20.535 1.00 2.21 C ATOM 0 H LEU A 349 15.047 2.976 -19.744 1.00 53.12 H new ATOM 0 HA LEU A 349 14.184 3.870 -22.428 1.00 21.10 H new ATOM 0 HB2 LEU A 349 14.342 5.212 -19.798 1.00 23.30 H new ATOM 0 HB3 LEU A 349 15.146 6.077 -21.094 1.00 23.30 H new ATOM 0 HG LEU A 349 13.184 6.233 -22.382 1.00 64.42 H new ATOM 0 HD11 LEU A 349 10.999 5.233 -21.841 1.00 32.20 H new ATOM 0 HD12 LEU A 349 12.256 4.028 -22.210 1.00 32.20 H new ATOM 0 HD13 LEU A 349 11.768 4.316 -20.523 1.00 32.20 H new ATOM 0 HD21 LEU A 349 11.570 7.419 -20.914 1.00 2.21 H new ATOM 0 HD22 LEU A 349 12.425 6.776 -19.492 1.00 2.21 H new ATOM 0 HD23 LEU A 349 13.261 7.882 -20.608 1.00 2.21 H new ATOM 821 N TYR A 350 16.703 3.447 -22.888 1.00 0.44 N ATOM 822 CA TYR A 350 18.113 3.397 -23.152 1.00 72.32 C ATOM 823 C TYR A 350 18.417 4.591 -23.964 1.00 45.21 C ATOM 824 O TYR A 350 18.188 4.613 -25.177 1.00 60.21 O ATOM 825 CB TYR A 350 18.563 2.140 -23.936 1.00 4.41 C ATOM 826 CG TYR A 350 18.612 0.887 -23.102 1.00 12.51 C ATOM 827 CD1 TYR A 350 17.978 -0.268 -23.520 1.00 71.23 C ATOM 828 CD2 TYR A 350 19.305 0.867 -21.902 1.00 43.54 C ATOM 829 CE1 TYR A 350 18.039 -1.409 -22.758 1.00 4.31 C ATOM 830 CE2 TYR A 350 19.357 -0.272 -21.148 1.00 43.21 C ATOM 831 CZ TYR A 350 18.727 -1.408 -21.573 1.00 41.13 C ATOM 832 OH TYR A 350 18.803 -2.583 -20.797 1.00 34.11 O ATOM 0 H TYR A 350 16.111 3.044 -23.614 1.00 0.44 H new ATOM 0 HA TYR A 350 18.643 3.362 -22.200 1.00 72.32 H new ATOM 0 HB2 TYR A 350 17.882 1.982 -24.772 1.00 4.41 H new ATOM 0 HB3 TYR A 350 19.551 2.322 -24.359 1.00 4.41 H new ATOM 0 HD1 TYR A 350 17.431 -0.273 -24.451 1.00 71.23 H new ATOM 0 HD2 TYR A 350 19.808 1.759 -21.560 1.00 43.54 H new ATOM 0 HE1 TYR A 350 17.544 -2.308 -23.093 1.00 4.31 H new ATOM 0 HE2 TYR A 350 19.898 -0.274 -20.213 1.00 43.21 H new ATOM 0 HH TYR A 350 19.329 -2.408 -19.989 1.00 34.11 H new ATOM 842 N ASN A 351 18.926 5.616 -23.305 1.00 24.45 N ATOM 843 CA ASN A 351 19.264 6.845 -23.943 1.00 20.31 C ATOM 844 C ASN A 351 20.345 7.374 -23.085 1.00 73.13 C ATOM 845 O ASN A 351 20.461 6.977 -21.923 1.00 32.42 O ATOM 846 CB ASN A 351 18.098 7.877 -23.955 1.00 63.41 C ATOM 847 CG ASN A 351 18.230 8.954 -25.041 1.00 2.31 C ATOM 848 OD1 ASN A 351 19.336 9.329 -25.439 1.00 43.02 O ATOM 849 ND2 ASN A 351 17.087 9.459 -25.540 1.00 13.00 N ATOM 0 H ASN A 351 19.113 5.604 -22.302 1.00 24.45 H new ATOM 0 HA ASN A 351 19.525 6.683 -24.989 1.00 20.31 H new ATOM 0 HB2 ASN A 351 17.157 7.345 -24.097 1.00 63.41 H new ATOM 0 HB3 ASN A 351 18.046 8.362 -22.980 1.00 63.41 H new ATOM 0 HD21 ASN A 351 17.120 10.172 -26.268 1.00 13.00 H new ATOM 0 HD22 ASN A 351 16.188 9.128 -25.190 1.00 13.00 H new ATOM 856 N SER A 352 21.137 8.273 -23.607 1.00 51.13 N ATOM 857 CA SER A 352 22.232 8.825 -22.872 1.00 4.42 C ATOM 858 C SER A 352 22.464 10.221 -23.464 1.00 21.35 C ATOM 859 O SER A 352 21.441 10.932 -23.721 1.00 0.00 O ATOM 860 CB SER A 352 23.539 8.000 -23.011 1.00 40.32 C ATOM 861 OG SER A 352 23.360 6.664 -22.498 1.00 71.31 O ATOM 862 OXT SER A 352 23.642 10.599 -23.675 1.00 0.00 O ATOM 0 H SER A 352 21.037 8.640 -24.554 1.00 51.13 H new ATOM 0 HA SER A 352 21.988 8.833 -21.810 1.00 4.42 H new ATOM 0 HB2 SER A 352 23.836 7.955 -24.059 1.00 40.32 H new ATOM 0 HB3 SER A 352 24.346 8.496 -22.472 1.00 40.32 H new ATOM 0 HG SER A 352 24.195 6.161 -22.597 1.00 71.31 H new TER 868 SER A 352 HETATM 869 ZN ZN A 500 19.521 3.892 -9.217 1.00 0.00 ZN HETATM 870 ZN ZN A 501 3.617 5.878 -9.929 1.00 0.00 ZN