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 299 LYS NZ :NH3+ 146:sc= -0.68 (180deg=-1.25) USER MOD Set 1.2: A 351 ASN : amide:sc= -0.0577 X(o=-0.74,f=-0.77) USER MOD Single : A 297 SER OG : rot 180:sc= 0 USER MOD Single : A 300 SER OG : rot 180:sc= 0 USER MOD Single : A 307 SER OG : rot 180:sc= 0.0108 USER MOD Single : A 308 SER OG : rot 145:sc= 0.627 USER MOD Single : A 310 LYS NZ :NH3+ -177:sc= -0.0701 (180deg=-0.0953) USER MOD Single : A 311 SER OG : rot 160:sc= 0 USER MOD Single : A 312 CYS SG : rot 17:sc= 0.263 USER MOD Single : A 321 CYS SG : rot 90:sc= -0.542 USER MOD Single : A 322 SER OG : rot 180:sc= 0.191 USER MOD Single : A 324 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 327 TYR OH : rot 180:sc= 0 USER MOD Single : A 334 LYS NZ :NH3+ 167:sc= 0.704 (180deg=0.645) USER MOD Single : A 335 LYS NZ :NH3+ 162:sc=-0.00546 (180deg=-0.116) USER MOD Single : A 341 GLN : amide:sc= -1.44 K(o=-1.4,f=-7.7!) 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 352 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 296 8.085 14.042 -14.300 1.00 13.00 N ATOM 2 CA GLY A 296 7.801 14.994 -15.397 1.00 45.03 C ATOM 3 C GLY A 296 8.860 14.862 -16.430 1.00 73.23 C ATOM 4 O GLY A 296 8.691 14.153 -17.427 1.00 42.04 O ATOM 0 HA2 GLY A 296 6.822 14.789 -15.831 1.00 45.03 H new ATOM 0 HA3 GLY A 296 7.772 16.014 -15.014 1.00 45.03 H new ATOM 10 N SER A 297 10.015 15.495 -16.184 1.00 4.31 N ATOM 11 CA SER A 297 11.100 15.451 -17.123 1.00 51.25 C ATOM 12 C SER A 297 11.806 14.143 -16.899 1.00 12.22 C ATOM 13 O SER A 297 12.029 13.741 -15.750 1.00 23.54 O ATOM 14 CB SER A 297 12.106 16.608 -16.921 1.00 64.21 C ATOM 15 OG SER A 297 11.399 17.839 -16.650 1.00 32.31 O ATOM 0 H SER A 297 10.204 16.037 -15.341 1.00 4.31 H new ATOM 0 HA SER A 297 10.705 15.550 -18.134 1.00 51.25 H new ATOM 0 HB2 SER A 297 12.778 16.376 -16.095 1.00 64.21 H new ATOM 0 HB3 SER A 297 12.724 16.723 -17.812 1.00 64.21 H new ATOM 0 HG SER A 297 12.044 18.565 -16.522 1.00 32.31 H new ATOM 21 N LEU A 298 12.136 13.438 -17.996 1.00 35.12 N ATOM 22 CA LEU A 298 12.794 12.158 -17.905 1.00 5.41 C ATOM 23 C LEU A 298 14.268 12.424 -17.780 1.00 43.22 C ATOM 24 O LEU A 298 14.727 13.555 -17.976 1.00 4.21 O ATOM 25 CB LEU A 298 12.577 11.262 -19.161 1.00 35.24 C ATOM 26 CG LEU A 298 11.111 10.794 -19.364 1.00 1.43 C ATOM 27 CD1 LEU A 298 10.258 11.805 -20.148 1.00 72.15 C ATOM 28 CD2 LEU A 298 11.033 9.393 -19.993 1.00 74.34 C ATOM 0 H LEU A 298 11.950 13.749 -18.949 1.00 35.12 H new ATOM 0 HA LEU A 298 12.375 11.626 -17.051 1.00 5.41 H new ATOM 0 HB2 LEU A 298 12.896 11.813 -20.046 1.00 35.24 H new ATOM 0 HB3 LEU A 298 13.219 10.385 -19.083 1.00 35.24 H new ATOM 0 HG LEU A 298 10.681 10.733 -18.364 1.00 1.43 H new ATOM 0 HD11 LEU A 298 9.244 11.419 -20.256 1.00 72.15 H new ATOM 0 HD12 LEU A 298 10.230 12.752 -19.610 1.00 72.15 H new ATOM 0 HD13 LEU A 298 10.694 11.961 -21.135 1.00 72.15 H new ATOM 0 HD21 LEU A 298 9.988 9.107 -20.116 1.00 74.34 H new ATOM 0 HD22 LEU A 298 11.524 9.403 -20.966 1.00 74.34 H new ATOM 0 HD23 LEU A 298 11.532 8.674 -19.343 1.00 74.34 H new ATOM 40 N LYS A 299 15.041 11.356 -17.453 1.00 1.14 N ATOM 41 CA LYS A 299 16.492 11.419 -17.348 1.00 73.23 C ATOM 42 C LYS A 299 16.897 12.393 -16.274 1.00 2.00 C ATOM 43 O LYS A 299 17.847 13.166 -16.441 1.00 0.43 O ATOM 44 CB LYS A 299 17.226 11.759 -18.670 1.00 45.11 C ATOM 45 CG LYS A 299 17.001 10.709 -19.765 1.00 52.34 C ATOM 46 CD LYS A 299 17.782 9.400 -19.532 1.00 21.21 C ATOM 47 CE LYS A 299 16.938 8.143 -19.755 1.00 23.50 C ATOM 48 NZ LYS A 299 16.260 8.213 -21.064 1.00 54.31 N ATOM 0 H LYS A 299 14.658 10.431 -17.257 1.00 1.14 H new ATOM 0 HA LYS A 299 16.804 10.407 -17.088 1.00 73.23 H new ATOM 0 HB2 LYS A 299 16.885 12.730 -19.029 1.00 45.11 H new ATOM 0 HB3 LYS A 299 18.294 11.849 -18.474 1.00 45.11 H new ATOM 0 HG2 LYS A 299 15.937 10.482 -19.826 1.00 52.34 H new ATOM 0 HG3 LYS A 299 17.293 11.131 -20.727 1.00 52.34 H new ATOM 0 HD2 LYS A 299 18.642 9.375 -20.201 1.00 21.21 H new ATOM 0 HD3 LYS A 299 18.170 9.393 -18.513 1.00 21.21 H new ATOM 0 HE2 LYS A 299 17.572 7.257 -19.712 1.00 23.50 H new ATOM 0 HE3 LYS A 299 16.200 8.045 -18.959 1.00 23.50 H new ATOM 0 HZ1 LYS A 299 16.189 7.258 -21.470 1.00 54.31 H new ATOM 0 HZ2 LYS A 299 15.306 8.608 -20.940 1.00 54.31 H new ATOM 0 HZ3 LYS A 299 16.806 8.822 -21.706 1.00 54.31 H new ATOM 62 N SER A 300 16.166 12.382 -15.156 1.00 3.12 N ATOM 63 CA SER A 300 16.519 13.185 -14.019 1.00 12.04 C ATOM 64 C SER A 300 17.240 12.245 -13.100 1.00 55.23 C ATOM 65 O SER A 300 17.561 11.130 -13.488 1.00 3.53 O ATOM 66 CB SER A 300 15.288 13.766 -13.284 1.00 32.21 C ATOM 67 OG SER A 300 14.409 14.376 -14.233 1.00 2.40 O ATOM 0 H SER A 300 15.326 11.818 -15.030 1.00 3.12 H new ATOM 0 HA SER A 300 17.113 14.043 -14.333 1.00 12.04 H new ATOM 0 HB2 SER A 300 14.766 12.975 -12.745 1.00 32.21 H new ATOM 0 HB3 SER A 300 15.606 14.500 -12.543 1.00 32.21 H new ATOM 0 HG SER A 300 13.628 14.742 -13.767 1.00 2.40 H new ATOM 73 N ALA A 301 17.507 12.660 -11.859 1.00 41.01 N ATOM 74 CA ALA A 301 18.233 11.809 -10.938 1.00 13.55 C ATOM 75 C ALA A 301 17.351 10.652 -10.531 1.00 40.31 C ATOM 76 O ALA A 301 16.182 10.833 -10.212 1.00 4.35 O ATOM 77 CB ALA A 301 18.666 12.538 -9.654 1.00 62.14 C ATOM 0 H ALA A 301 17.233 13.567 -11.481 1.00 41.01 H new ATOM 0 HA ALA A 301 19.131 11.479 -11.461 1.00 13.55 H new ATOM 0 HB1 ALA A 301 19.205 11.846 -9.007 1.00 62.14 H new ATOM 0 HB2 ALA A 301 19.316 13.374 -9.912 1.00 62.14 H new ATOM 0 HB3 ALA A 301 17.785 12.911 -9.133 1.00 62.14 H new ATOM 83 N CYS A 302 17.914 9.404 -10.586 1.00 65.22 N ATOM 84 CA CYS A 302 17.240 8.189 -10.090 1.00 52.23 C ATOM 85 C CYS A 302 16.914 8.475 -8.648 1.00 22.22 C ATOM 86 O CYS A 302 17.820 8.597 -7.855 1.00 13.50 O ATOM 87 CB CYS A 302 18.196 6.939 -10.159 1.00 40.05 C ATOM 88 SG CYS A 302 17.506 5.345 -9.529 1.00 41.41 S ATOM 0 H CYS A 302 18.840 9.228 -10.975 1.00 65.22 H new ATOM 0 HA CYS A 302 16.359 7.960 -10.690 1.00 52.23 H new ATOM 0 HB2 CYS A 302 18.497 6.795 -11.197 1.00 40.05 H new ATOM 0 HB3 CYS A 302 19.100 7.168 -9.594 1.00 40.05 H new ATOM 93 N VAL A 303 15.606 8.424 -8.284 1.00 60.23 N ATOM 94 CA VAL A 303 15.132 8.952 -6.996 1.00 1.53 C ATOM 95 C VAL A 303 15.658 8.135 -5.843 1.00 55.21 C ATOM 96 O VAL A 303 15.724 8.614 -4.727 1.00 64.33 O ATOM 97 CB VAL A 303 13.606 9.001 -6.887 1.00 31.35 C ATOM 98 CG1 VAL A 303 13.052 9.901 -8.001 1.00 0.51 C ATOM 99 CG2 VAL A 303 13.015 7.570 -6.953 1.00 21.51 C ATOM 0 H VAL A 303 14.871 8.023 -8.867 1.00 60.23 H new ATOM 0 HA VAL A 303 15.514 9.972 -6.949 1.00 1.53 H new ATOM 0 HB VAL A 303 13.314 9.424 -5.926 1.00 31.35 H new ATOM 0 HG11 VAL A 303 11.965 9.941 -7.930 1.00 0.51 H new ATOM 0 HG12 VAL A 303 13.460 10.906 -7.893 1.00 0.51 H new ATOM 0 HG13 VAL A 303 13.337 9.496 -8.972 1.00 0.51 H new ATOM 0 HG21 VAL A 303 11.929 7.621 -6.874 1.00 21.51 H new ATOM 0 HG22 VAL A 303 13.289 7.107 -7.901 1.00 21.51 H new ATOM 0 HG23 VAL A 303 13.411 6.975 -6.130 1.00 21.51 H new ATOM 109 N VAL A 304 16.069 6.890 -6.112 1.00 52.44 N ATOM 110 CA VAL A 304 16.482 6.010 -5.050 1.00 52.14 C ATOM 111 C VAL A 304 17.963 6.190 -4.769 1.00 61.13 C ATOM 112 O VAL A 304 18.353 6.318 -3.622 1.00 1.01 O ATOM 113 CB VAL A 304 16.223 4.530 -5.363 1.00 44.11 C ATOM 114 CG1 VAL A 304 15.720 3.837 -4.083 1.00 12.12 C ATOM 115 CG2 VAL A 304 15.195 4.417 -6.514 1.00 53.52 C ATOM 0 H VAL A 304 16.119 6.487 -7.048 1.00 52.44 H new ATOM 0 HA VAL A 304 15.884 6.280 -4.180 1.00 52.14 H new ATOM 0 HB VAL A 304 17.140 4.038 -5.688 1.00 44.11 H new ATOM 0 HG11 VAL A 304 15.531 2.784 -4.290 1.00 12.12 H new ATOM 0 HG12 VAL A 304 16.475 3.924 -3.302 1.00 12.12 H new ATOM 0 HG13 VAL A 304 14.797 4.312 -3.750 1.00 12.12 H new ATOM 0 HG21 VAL A 304 15.011 3.366 -6.736 1.00 53.52 H new ATOM 0 HG22 VAL A 304 14.261 4.893 -6.216 1.00 53.52 H new ATOM 0 HG23 VAL A 304 15.587 4.912 -7.402 1.00 53.52 H new ATOM 125 N CYS A 305 18.824 6.199 -5.817 1.00 63.32 N ATOM 126 CA CYS A 305 20.270 6.224 -5.559 1.00 41.05 C ATOM 127 C CYS A 305 20.771 7.661 -5.551 1.00 43.21 C ATOM 128 O CYS A 305 21.544 8.028 -4.698 1.00 62.24 O ATOM 129 CB CYS A 305 21.116 5.336 -6.546 1.00 12.01 C ATOM 130 SG CYS A 305 20.864 5.725 -8.313 1.00 4.10 S ATOM 0 H CYS A 305 18.553 6.190 -6.800 1.00 63.32 H new ATOM 0 HA CYS A 305 20.415 5.776 -4.576 1.00 41.05 H new ATOM 0 HB2 CYS A 305 22.173 5.455 -6.307 1.00 12.01 H new ATOM 0 HB3 CYS A 305 20.867 4.288 -6.378 1.00 12.01 H new ATOM 135 N LEU A 306 20.366 8.461 -6.594 1.00 53.52 N ATOM 136 CA LEU A 306 20.681 9.909 -6.721 1.00 3.23 C ATOM 137 C LEU A 306 22.026 10.063 -7.397 1.00 5.21 C ATOM 138 O LEU A 306 22.531 11.173 -7.568 1.00 41.44 O ATOM 139 CB LEU A 306 20.664 10.770 -5.405 1.00 40.53 C ATOM 140 CG LEU A 306 19.250 11.018 -4.805 1.00 54.35 C ATOM 141 CD1 LEU A 306 18.203 11.420 -5.854 1.00 61.24 C ATOM 142 CD2 LEU A 306 18.762 9.865 -3.911 1.00 13.34 C ATOM 0 H LEU A 306 19.808 8.106 -7.370 1.00 53.52 H new ATOM 0 HA LEU A 306 19.856 10.311 -7.310 1.00 3.23 H new ATOM 0 HB2 LEU A 306 21.279 10.273 -4.655 1.00 40.53 H new ATOM 0 HB3 LEU A 306 21.129 11.734 -5.612 1.00 40.53 H new ATOM 0 HG LEU A 306 19.371 11.883 -4.153 1.00 54.35 H new ATOM 0 HD11 LEU A 306 17.241 11.577 -5.366 1.00 61.24 H new ATOM 0 HD12 LEU A 306 18.515 12.341 -6.345 1.00 61.24 H new ATOM 0 HD13 LEU A 306 18.108 10.627 -6.596 1.00 61.24 H new ATOM 0 HD21 LEU A 306 17.770 10.099 -3.524 1.00 13.34 H new ATOM 0 HD22 LEU A 306 18.715 8.946 -4.495 1.00 13.34 H new ATOM 0 HD23 LEU A 306 19.454 9.731 -3.079 1.00 13.34 H new ATOM 154 N SER A 307 22.611 8.947 -7.837 1.00 32.34 N ATOM 155 CA SER A 307 23.899 8.979 -8.491 1.00 55.11 C ATOM 156 C SER A 307 23.654 8.845 -9.973 1.00 41.01 C ATOM 157 O SER A 307 24.094 9.669 -10.764 1.00 35.33 O ATOM 158 CB SER A 307 24.815 7.809 -8.020 1.00 0.31 C ATOM 159 OG SER A 307 24.149 7.038 -6.995 1.00 34.14 O ATOM 0 H SER A 307 22.205 8.016 -7.747 1.00 32.34 H new ATOM 0 HA SER A 307 24.404 9.913 -8.244 1.00 55.11 H new ATOM 0 HB2 SER A 307 25.062 7.167 -8.866 1.00 0.31 H new ATOM 0 HB3 SER A 307 25.755 8.205 -7.635 1.00 0.31 H new ATOM 0 HG SER A 307 24.732 6.305 -6.707 1.00 34.14 H new ATOM 165 N SER A 308 22.881 7.820 -10.365 1.00 61.13 N ATOM 166 CA SER A 308 22.632 7.568 -11.768 1.00 35.51 C ATOM 167 C SER A 308 21.341 8.232 -12.102 1.00 24.53 C ATOM 168 O SER A 308 20.503 8.481 -11.211 1.00 72.34 O ATOM 169 CB SER A 308 22.500 6.062 -12.117 1.00 4.12 C ATOM 170 OG SER A 308 21.810 5.356 -11.077 1.00 60.11 O ATOM 0 H SER A 308 22.428 7.166 -9.727 1.00 61.13 H new ATOM 0 HA SER A 308 23.481 7.950 -12.335 1.00 35.51 H new ATOM 0 HB2 SER A 308 21.962 5.948 -13.058 1.00 4.12 H new ATOM 0 HB3 SER A 308 23.490 5.629 -12.261 1.00 4.12 H new ATOM 0 HG SER A 308 21.263 4.645 -11.472 1.00 60.11 H new ATOM 176 N PHE A 309 21.123 8.497 -13.396 1.00 52.35 N ATOM 177 CA PHE A 309 19.885 9.081 -13.853 1.00 15.31 C ATOM 178 C PHE A 309 18.829 8.002 -13.821 1.00 53.04 C ATOM 179 O PHE A 309 19.129 6.811 -13.635 1.00 11.05 O ATOM 180 CB PHE A 309 19.960 9.611 -15.313 1.00 5.01 C ATOM 181 CG PHE A 309 21.282 10.222 -15.693 1.00 44.54 C ATOM 182 CD1 PHE A 309 22.096 9.619 -16.639 1.00 3.12 C ATOM 183 CD2 PHE A 309 21.709 11.395 -15.105 1.00 33.21 C ATOM 184 CE1 PHE A 309 23.299 10.180 -16.982 1.00 54.11 C ATOM 185 CE2 PHE A 309 22.914 11.950 -15.454 1.00 40.42 C ATOM 186 CZ PHE A 309 23.708 11.342 -16.392 1.00 60.35 C ATOM 0 H PHE A 309 21.799 8.310 -14.137 1.00 52.35 H new ATOM 0 HA PHE A 309 19.661 9.925 -13.201 1.00 15.31 H new ATOM 0 HB2 PHE A 309 19.746 8.788 -15.995 1.00 5.01 H new ATOM 0 HB3 PHE A 309 19.177 10.355 -15.456 1.00 5.01 H new ATOM 0 HD1 PHE A 309 21.780 8.700 -17.110 1.00 3.12 H new ATOM 0 HD2 PHE A 309 21.090 11.880 -14.365 1.00 33.21 H new ATOM 0 HE1 PHE A 309 23.925 9.702 -17.721 1.00 54.11 H new ATOM 0 HE2 PHE A 309 23.238 12.869 -14.988 1.00 40.42 H new ATOM 0 HZ PHE A 309 24.656 11.782 -16.664 1.00 60.35 H new ATOM 196 N LYS A 310 17.551 8.414 -13.894 1.00 32.30 N ATOM 197 CA LYS A 310 16.459 7.476 -13.964 1.00 34.31 C ATOM 198 C LYS A 310 16.372 6.997 -15.379 1.00 32.34 C ATOM 199 O LYS A 310 16.301 7.786 -16.313 1.00 3.50 O ATOM 200 CB LYS A 310 15.090 8.065 -13.554 1.00 2.30 C ATOM 201 CG LYS A 310 14.871 9.511 -14.002 1.00 31.25 C ATOM 202 CD LYS A 310 13.494 9.752 -14.610 1.00 21.25 C ATOM 203 CE LYS A 310 12.857 11.061 -14.165 1.00 52.41 C ATOM 204 NZ LYS A 310 12.644 11.047 -12.706 1.00 3.02 N ATOM 0 H LYS A 310 17.267 9.394 -13.905 1.00 32.30 H new ATOM 0 HA LYS A 310 16.668 6.676 -13.254 1.00 34.31 H new ATOM 0 HB2 LYS A 310 14.299 7.443 -13.973 1.00 2.30 H new ATOM 0 HB3 LYS A 310 14.995 8.014 -12.469 1.00 2.30 H new ATOM 0 HG2 LYS A 310 15.004 10.173 -13.146 1.00 31.25 H new ATOM 0 HG3 LYS A 310 15.635 9.777 -14.733 1.00 31.25 H new ATOM 0 HD2 LYS A 310 13.579 9.749 -15.697 1.00 21.25 H new ATOM 0 HD3 LYS A 310 12.836 8.926 -14.340 1.00 21.25 H new ATOM 0 HE2 LYS A 310 13.498 11.899 -14.439 1.00 52.41 H new ATOM 0 HE3 LYS A 310 11.906 11.206 -14.678 1.00 52.41 H new ATOM 0 HZ1 LYS A 310 12.163 11.922 -12.417 1.00 3.02 H new ATOM 0 HZ2 LYS A 310 12.057 10.228 -12.449 1.00 3.02 H new ATOM 0 HZ3 LYS A 310 13.562 10.981 -12.222 1.00 3.02 H new ATOM 218 N SER A 311 16.382 5.681 -15.538 1.00 11.14 N ATOM 219 CA SER A 311 16.392 5.063 -16.820 1.00 22.54 C ATOM 220 C SER A 311 15.331 3.982 -16.795 1.00 32.23 C ATOM 221 O SER A 311 15.481 2.940 -17.413 1.00 4.30 O ATOM 222 CB SER A 311 17.781 4.402 -17.117 1.00 2.43 C ATOM 223 OG SER A 311 18.643 4.508 -15.963 1.00 54.22 O ATOM 0 H SER A 311 16.383 5.021 -14.760 1.00 11.14 H new ATOM 0 HA SER A 311 16.202 5.808 -17.593 1.00 22.54 H new ATOM 0 HB2 SER A 311 17.643 3.354 -17.382 1.00 2.43 H new ATOM 0 HB3 SER A 311 18.247 4.889 -17.974 1.00 2.43 H new ATOM 0 HG SER A 311 19.358 3.840 -16.026 1.00 54.22 H new ATOM 229 N CYS A 312 14.217 4.216 -16.088 1.00 60.44 N ATOM 230 CA CYS A 312 13.196 3.194 -16.014 1.00 23.43 C ATOM 231 C CYS A 312 11.889 3.865 -15.779 1.00 41.45 C ATOM 232 O CYS A 312 11.723 4.644 -14.799 1.00 72.14 O ATOM 233 CB CYS A 312 13.387 2.162 -14.869 1.00 35.42 C ATOM 234 SG CYS A 312 14.645 0.899 -15.233 1.00 32.40 S ATOM 0 H CYS A 312 14.014 5.077 -15.580 1.00 60.44 H new ATOM 0 HA CYS A 312 13.251 2.645 -16.954 1.00 23.43 H new ATOM 0 HB2 CYS A 312 13.667 2.690 -13.957 1.00 35.42 H new ATOM 0 HB3 CYS A 312 12.435 1.669 -14.672 1.00 35.42 H new ATOM 0 HG CYS A 312 15.388 1.299 -16.222 1.00 32.40 H new ATOM 240 N VAL A 313 10.933 3.570 -16.681 1.00 23.14 N ATOM 241 CA VAL A 313 9.589 4.021 -16.567 1.00 42.01 C ATOM 242 C VAL A 313 8.882 2.840 -15.984 1.00 22.21 C ATOM 243 O VAL A 313 9.030 1.719 -16.474 1.00 72.23 O ATOM 244 CB VAL A 313 8.932 4.335 -17.911 1.00 21.50 C ATOM 245 CG1 VAL A 313 7.621 5.112 -17.669 1.00 43.32 C ATOM 246 CG2 VAL A 313 9.917 5.110 -18.820 1.00 23.42 C ATOM 0 H VAL A 313 11.105 3.002 -17.510 1.00 23.14 H new ATOM 0 HA VAL A 313 9.546 4.942 -15.986 1.00 42.01 H new ATOM 0 HB VAL A 313 8.681 3.410 -18.431 1.00 21.50 H new ATOM 0 HG11 VAL A 313 7.150 5.338 -18.626 1.00 43.32 H new ATOM 0 HG12 VAL A 313 6.945 4.506 -17.066 1.00 43.32 H new ATOM 0 HG13 VAL A 313 7.841 6.042 -17.145 1.00 43.32 H new ATOM 0 HG21 VAL A 313 9.437 5.328 -19.774 1.00 23.42 H new ATOM 0 HG22 VAL A 313 10.201 6.044 -18.335 1.00 23.42 H new ATOM 0 HG23 VAL A 313 10.807 4.505 -18.991 1.00 23.42 H new ATOM 256 N PHE A 314 8.128 3.041 -14.925 1.00 53.34 N ATOM 257 CA PHE A 314 7.444 1.943 -14.309 1.00 71.45 C ATOM 258 C PHE A 314 6.077 1.908 -14.887 1.00 24.23 C ATOM 259 O PHE A 314 5.276 2.868 -14.694 1.00 41.12 O ATOM 260 CB PHE A 314 7.346 2.071 -12.778 1.00 11.23 C ATOM 261 CG PHE A 314 8.660 1.837 -12.069 1.00 73.15 C ATOM 262 CD1 PHE A 314 9.059 2.654 -11.025 1.00 13.03 C ATOM 263 CD2 PHE A 314 9.491 0.791 -12.446 1.00 54.02 C ATOM 264 CE1 PHE A 314 10.252 2.422 -10.380 1.00 25.54 C ATOM 265 CE2 PHE A 314 10.677 0.574 -11.800 1.00 54.21 C ATOM 266 CZ PHE A 314 11.057 1.383 -10.770 1.00 0.53 C ATOM 0 H PHE A 314 7.979 3.948 -14.482 1.00 53.34 H new ATOM 0 HA PHE A 314 8.005 1.029 -14.503 1.00 71.45 H new ATOM 0 HB2 PHE A 314 6.979 3.066 -12.527 1.00 11.23 H new ATOM 0 HB3 PHE A 314 6.610 1.357 -12.408 1.00 11.23 H new ATOM 0 HD1 PHE A 314 8.431 3.477 -10.716 1.00 13.03 H new ATOM 0 HD2 PHE A 314 9.198 0.142 -13.258 1.00 54.02 H new ATOM 0 HE1 PHE A 314 10.555 3.061 -9.564 1.00 25.54 H new ATOM 0 HE2 PHE A 314 11.315 -0.241 -12.107 1.00 54.21 H new ATOM 0 HZ PHE A 314 11.993 1.205 -10.261 1.00 0.53 H new ATOM 276 N LEU A 315 5.741 0.786 -15.591 1.00 41.41 N ATOM 277 CA LEU A 315 4.451 0.680 -16.198 1.00 40.44 C ATOM 278 C LEU A 315 3.538 0.290 -15.094 1.00 63.54 C ATOM 279 O LEU A 315 3.522 -0.864 -14.622 1.00 3.15 O ATOM 280 CB LEU A 315 4.403 -0.463 -17.257 1.00 75.44 C ATOM 281 CG LEU A 315 3.407 -0.245 -18.410 1.00 13.32 C ATOM 282 CD1 LEU A 315 3.729 -1.143 -19.611 1.00 22.15 C ATOM 283 CD2 LEU A 315 1.944 -0.411 -17.963 1.00 54.14 C ATOM 0 H LEU A 315 6.353 -0.018 -15.729 1.00 41.41 H new ATOM 0 HA LEU A 315 4.191 1.615 -16.694 1.00 40.44 H new ATOM 0 HB2 LEU A 315 5.400 -0.589 -17.678 1.00 75.44 H new ATOM 0 HB3 LEU A 315 4.151 -1.395 -16.751 1.00 75.44 H new ATOM 0 HG LEU A 315 3.523 0.791 -18.728 1.00 13.32 H new ATOM 0 HD11 LEU A 315 3.005 -0.962 -20.405 1.00 22.15 H new ATOM 0 HD12 LEU A 315 4.731 -0.918 -19.975 1.00 22.15 H new ATOM 0 HD13 LEU A 315 3.680 -2.189 -19.307 1.00 22.15 H new ATOM 0 HD21 LEU A 315 1.283 -0.247 -18.814 1.00 54.14 H new ATOM 0 HD22 LEU A 315 1.794 -1.419 -17.576 1.00 54.14 H new ATOM 0 HD23 LEU A 315 1.718 0.315 -17.182 1.00 54.14 H new ATOM 295 N GLU A 316 2.906 1.283 -14.556 1.00 75.43 N ATOM 296 CA GLU A 316 1.823 1.135 -13.696 1.00 15.30 C ATOM 297 C GLU A 316 0.957 2.283 -14.048 1.00 13.31 C ATOM 298 O GLU A 316 -0.160 2.194 -14.519 1.00 42.02 O ATOM 299 CB GLU A 316 2.183 1.131 -12.194 1.00 32.43 C ATOM 300 CG GLU A 316 3.702 1.240 -11.930 1.00 3.53 C ATOM 301 CD GLU A 316 3.927 1.678 -10.508 1.00 41.11 C ATOM 302 OE1 GLU A 316 3.361 2.754 -10.115 1.00 20.13 O ATOM 303 OE2 GLU A 316 4.722 1.065 -9.818 1.00 71.34 O ATOM 0 H GLU A 316 3.159 2.257 -14.725 1.00 75.43 H new ATOM 0 HA GLU A 316 1.350 0.161 -13.825 1.00 15.30 H new ATOM 0 HB2 GLU A 316 1.675 1.961 -11.703 1.00 32.43 H new ATOM 0 HB3 GLU A 316 1.807 0.214 -11.740 1.00 32.43 H new ATOM 0 HG2 GLU A 316 4.184 0.279 -12.108 1.00 3.53 H new ATOM 0 HG3 GLU A 316 4.153 1.955 -12.619 1.00 3.53 H new ATOM 310 N CYS A 317 1.609 3.435 -13.787 1.00 53.42 N ATOM 311 CA CYS A 317 1.062 4.765 -13.834 1.00 43.05 C ATOM 312 C CYS A 317 1.840 5.584 -14.868 1.00 2.30 C ATOM 313 O CYS A 317 1.392 6.641 -15.256 1.00 52.42 O ATOM 314 CB CYS A 317 1.348 5.452 -12.475 1.00 31.35 C ATOM 315 SG CYS A 317 3.038 4.939 -11.927 1.00 24.30 S ATOM 0 H CYS A 317 2.594 3.437 -13.523 1.00 53.42 H new ATOM 0 HA CYS A 317 -0.002 4.712 -14.067 1.00 43.05 H new ATOM 0 HB2 CYS A 317 1.292 6.536 -12.576 1.00 31.35 H new ATOM 0 HB3 CYS A 317 0.602 5.161 -11.735 1.00 31.35 H new ATOM 320 N GLY A 318 3.055 5.124 -15.316 1.00 52.45 N ATOM 321 CA GLY A 318 3.845 5.950 -16.234 1.00 33.10 C ATOM 322 C GLY A 318 4.782 6.860 -15.466 1.00 72.43 C ATOM 323 O GLY A 318 5.203 7.890 -15.978 1.00 4.22 O ATOM 0 H GLY A 318 3.474 4.230 -15.060 1.00 52.45 H new ATOM 0 HA2 GLY A 318 4.420 5.310 -16.904 1.00 33.10 H new ATOM 0 HA3 GLY A 318 3.180 6.548 -16.857 1.00 33.10 H new ATOM 327 N HIS A 319 5.122 6.518 -14.196 1.00 34.30 N ATOM 328 CA HIS A 319 6.082 7.338 -13.434 1.00 21.20 C ATOM 329 C HIS A 319 7.443 6.877 -13.893 1.00 62.21 C ATOM 330 O HIS A 319 7.647 5.676 -14.073 1.00 54.24 O ATOM 331 CB HIS A 319 6.018 7.120 -11.885 1.00 11.44 C ATOM 332 CG HIS A 319 5.245 8.186 -11.091 1.00 55.21 C ATOM 333 ND1 HIS A 319 4.430 7.803 -10.027 1.00 71.11 N ATOM 334 CD2 HIS A 319 5.229 9.536 -11.226 1.00 41.04 C ATOM 335 CE1 HIS A 319 3.945 8.927 -9.547 1.00 32.43 C ATOM 336 NE2 HIS A 319 4.399 10.003 -10.234 1.00 24.34 N ATOM 0 H HIS A 319 4.756 5.707 -13.697 1.00 34.30 H new ATOM 0 HA HIS A 319 5.861 8.391 -13.611 1.00 21.20 H new ATOM 0 HB2 HIS A 319 5.562 6.149 -11.692 1.00 11.44 H new ATOM 0 HB3 HIS A 319 7.037 7.076 -11.501 1.00 11.44 H new ATOM 0 HD2 HIS A 319 5.759 10.123 -11.961 1.00 41.04 H new ATOM 0 HE1 HIS A 319 3.268 8.985 -8.708 1.00 32.43 H new ATOM 0 HE2 HIS A 319 4.168 10.979 -10.049 1.00 24.34 H new ATOM 344 N VAL A 320 8.403 7.798 -14.019 1.00 23.20 N ATOM 345 CA VAL A 320 9.750 7.458 -14.441 1.00 11.20 C ATOM 346 C VAL A 320 10.578 7.863 -13.274 1.00 73.52 C ATOM 347 O VAL A 320 10.547 9.032 -12.892 1.00 5.12 O ATOM 348 CB VAL A 320 10.215 8.256 -15.660 1.00 73.32 C ATOM 349 CG1 VAL A 320 11.367 7.501 -16.345 1.00 52.12 C ATOM 350 CG2 VAL A 320 9.014 8.472 -16.606 1.00 42.11 C ATOM 0 H VAL A 320 8.263 8.791 -13.831 1.00 23.20 H new ATOM 0 HA VAL A 320 9.818 6.408 -14.725 1.00 11.20 H new ATOM 0 HB VAL A 320 10.589 9.237 -15.367 1.00 73.32 H new ATOM 0 HG11 VAL A 320 11.704 8.064 -17.215 1.00 52.12 H new ATOM 0 HG12 VAL A 320 12.194 7.386 -15.644 1.00 52.12 H new ATOM 0 HG13 VAL A 320 11.020 6.517 -16.661 1.00 52.12 H new ATOM 0 HG21 VAL A 320 9.336 9.040 -17.479 1.00 42.11 H new ATOM 0 HG22 VAL A 320 8.624 7.506 -16.926 1.00 42.11 H new ATOM 0 HG23 VAL A 320 8.233 9.023 -16.082 1.00 42.11 H new ATOM 360 N CYS A 321 11.302 6.921 -12.611 1.00 65.43 N ATOM 361 CA CYS A 321 12.007 7.375 -11.412 1.00 0.22 C ATOM 362 C CYS A 321 13.208 6.526 -11.075 1.00 51.53 C ATOM 363 O CYS A 321 14.099 6.995 -10.335 1.00 51.33 O ATOM 364 CB CYS A 321 11.092 7.451 -10.153 1.00 24.13 C ATOM 365 SG CYS A 321 9.528 6.515 -10.342 1.00 22.10 S ATOM 0 H CYS A 321 11.402 5.938 -12.863 1.00 65.43 H new ATOM 0 HA CYS A 321 12.340 8.380 -11.670 1.00 0.22 H new ATOM 0 HB2 CYS A 321 11.637 7.065 -9.291 1.00 24.13 H new ATOM 0 HB3 CYS A 321 10.860 8.495 -9.942 1.00 24.13 H new ATOM 0 HG CYS A 321 9.702 5.293 -9.934 1.00 22.10 H new ATOM 371 N SER A 322 13.315 5.275 -11.570 1.00 34.11 N ATOM 372 CA SER A 322 14.416 4.444 -11.123 1.00 22.42 C ATOM 373 C SER A 322 15.354 4.232 -12.245 1.00 62.14 C ATOM 374 O SER A 322 15.152 4.697 -13.319 1.00 5.32 O ATOM 375 CB SER A 322 14.028 3.074 -10.521 1.00 51.01 C ATOM 376 OG SER A 322 15.062 2.638 -9.608 1.00 44.43 O ATOM 0 H SER A 322 12.680 4.848 -12.245 1.00 34.11 H new ATOM 0 HA SER A 322 14.871 4.997 -10.301 1.00 22.42 H new ATOM 0 HB2 SER A 322 13.075 3.152 -9.998 1.00 51.01 H new ATOM 0 HB3 SER A 322 13.896 2.340 -11.316 1.00 51.01 H new ATOM 0 HG SER A 322 14.816 1.770 -9.225 1.00 44.43 H new ATOM 382 N CYS A 323 16.444 3.516 -11.945 1.00 5.25 N ATOM 383 CA CYS A 323 17.492 3.246 -12.895 1.00 1.21 C ATOM 384 C CYS A 323 17.565 1.766 -12.919 1.00 1.33 C ATOM 385 O CYS A 323 17.288 1.144 -11.885 1.00 5.33 O ATOM 386 CB CYS A 323 18.902 3.896 -12.521 1.00 11.13 C ATOM 387 SG CYS A 323 19.899 3.019 -11.240 1.00 60.31 S ATOM 0 H CYS A 323 16.610 3.111 -11.024 1.00 5.25 H new ATOM 0 HA CYS A 323 17.266 3.692 -13.864 1.00 1.21 H new ATOM 0 HB2 CYS A 323 19.499 3.963 -13.431 1.00 11.13 H new ATOM 0 HB3 CYS A 323 18.727 4.916 -12.178 1.00 11.13 H new ATOM 392 N THR A 324 17.947 1.181 -14.068 1.00 73.12 N ATOM 393 CA THR A 324 17.954 -0.268 -14.289 1.00 14.10 C ATOM 394 C THR A 324 18.635 -1.002 -13.157 1.00 0.50 C ATOM 395 O THR A 324 18.056 -1.903 -12.561 1.00 11.40 O ATOM 396 CB THR A 324 18.646 -0.639 -15.587 1.00 24.21 C ATOM 397 OG1 THR A 324 18.610 0.473 -16.496 1.00 40.33 O ATOM 398 CG2 THR A 324 17.944 -1.863 -16.201 1.00 22.34 C ATOM 0 H THR A 324 18.263 1.713 -14.878 1.00 73.12 H new ATOM 0 HA THR A 324 16.907 -0.568 -14.340 1.00 14.10 H new ATOM 0 HB THR A 324 19.689 -0.887 -15.391 1.00 24.21 H new ATOM 0 HG1 THR A 324 19.060 0.227 -17.331 1.00 40.33 H new ATOM 0 HG21 THR A 324 18.437 -2.135 -17.134 1.00 22.34 H new ATOM 0 HG22 THR A 324 17.998 -2.700 -15.505 1.00 22.34 H new ATOM 0 HG23 THR A 324 16.900 -1.622 -16.399 1.00 22.34 H new ATOM 406 N GLU A 325 19.858 -0.574 -12.794 1.00 32.31 N ATOM 407 CA GLU A 325 20.658 -1.290 -11.818 1.00 3.13 C ATOM 408 C GLU A 325 20.000 -1.268 -10.462 1.00 73.11 C ATOM 409 O GLU A 325 20.138 -2.188 -9.703 1.00 53.33 O ATOM 410 CB GLU A 325 22.053 -0.701 -11.680 1.00 13.20 C ATOM 411 CG GLU A 325 22.812 -0.645 -13.029 1.00 20.24 C ATOM 412 CD GLU A 325 22.851 0.800 -13.531 1.00 23.20 C ATOM 413 OE1 GLU A 325 21.776 1.492 -13.428 1.00 0.43 O ATOM 414 OE2 GLU A 325 23.928 1.237 -14.029 1.00 1.21 O ATOM 0 H GLU A 325 20.302 0.264 -13.169 1.00 32.31 H new ATOM 0 HA GLU A 325 20.739 -2.314 -12.181 1.00 3.13 H new ATOM 0 HB2 GLU A 325 21.979 0.305 -11.267 1.00 13.20 H new ATOM 0 HB3 GLU A 325 22.626 -1.296 -10.969 1.00 13.20 H new ATOM 0 HG2 GLU A 325 23.826 -1.026 -12.905 1.00 20.24 H new ATOM 0 HG3 GLU A 325 22.320 -1.283 -13.763 1.00 20.24 H new ATOM 421 N CYS A 326 19.268 -0.192 -10.147 1.00 11.31 N ATOM 422 CA CYS A 326 18.587 -0.098 -8.843 1.00 73.35 C ATOM 423 C CYS A 326 17.522 -1.175 -8.799 1.00 74.41 C ATOM 424 O CYS A 326 17.358 -1.855 -7.791 1.00 34.23 O ATOM 425 CB CYS A 326 17.843 1.260 -8.616 1.00 12.13 C ATOM 426 SG CYS A 326 18.731 2.464 -7.588 1.00 12.13 S ATOM 0 H CYS A 326 19.131 0.612 -10.760 1.00 11.31 H new ATOM 0 HA CYS A 326 19.358 -0.198 -8.079 1.00 73.35 H new ATOM 0 HB2 CYS A 326 17.642 1.713 -9.587 1.00 12.13 H new ATOM 0 HB3 CYS A 326 16.877 1.054 -8.155 1.00 12.13 H new ATOM 431 N TYR A 327 16.776 -1.319 -9.916 1.00 1.14 N ATOM 432 CA TYR A 327 15.660 -2.231 -9.975 1.00 53.51 C ATOM 433 C TYR A 327 16.189 -3.639 -9.866 1.00 40.03 C ATOM 434 O TYR A 327 15.982 -4.314 -8.859 1.00 65.21 O ATOM 435 CB TYR A 327 14.864 -2.072 -11.321 1.00 2.03 C ATOM 436 CG TYR A 327 13.678 -2.989 -11.532 1.00 15.30 C ATOM 437 CD1 TYR A 327 13.831 -4.188 -12.197 1.00 15.14 C ATOM 438 CD2 TYR A 327 12.417 -2.637 -11.085 1.00 22.40 C ATOM 439 CE1 TYR A 327 12.756 -5.010 -12.412 1.00 25.31 C ATOM 440 CE2 TYR A 327 11.341 -3.469 -11.301 1.00 42.42 C ATOM 441 CZ TYR A 327 11.513 -4.655 -11.966 1.00 12.12 C ATOM 442 OH TYR A 327 10.410 -5.508 -12.198 1.00 32.23 O ATOM 0 H TYR A 327 16.944 -0.805 -10.781 1.00 1.14 H new ATOM 0 HA TYR A 327 14.978 -2.010 -9.154 1.00 53.51 H new ATOM 0 HB2 TYR A 327 14.512 -1.043 -11.386 1.00 2.03 H new ATOM 0 HB3 TYR A 327 15.560 -2.224 -12.146 1.00 2.03 H new ATOM 0 HD1 TYR A 327 14.808 -4.482 -12.552 1.00 15.14 H new ATOM 0 HD2 TYR A 327 12.275 -1.702 -10.563 1.00 22.40 H new ATOM 0 HE1 TYR A 327 12.891 -5.944 -12.937 1.00 25.31 H new ATOM 0 HE2 TYR A 327 10.361 -3.187 -10.946 1.00 42.42 H new ATOM 0 HH TYR A 327 9.601 -5.108 -11.816 1.00 32.23 H new ATOM 452 N ARG A 328 17.029 -4.037 -10.854 1.00 14.23 N ATOM 453 CA ARG A 328 17.450 -5.425 -11.001 1.00 1.44 C ATOM 454 C ARG A 328 18.245 -5.883 -9.814 1.00 2.01 C ATOM 455 O ARG A 328 18.294 -7.078 -9.515 1.00 33.14 O ATOM 456 CB ARG A 328 18.276 -5.689 -12.279 1.00 60.12 C ATOM 457 CG ARG A 328 19.479 -4.751 -12.461 1.00 4.13 C ATOM 458 CD ARG A 328 20.790 -5.503 -12.779 1.00 42.02 C ATOM 459 NE ARG A 328 21.451 -4.845 -13.957 1.00 74.14 N ATOM 460 CZ ARG A 328 20.990 -5.056 -15.241 1.00 61.41 C ATOM 461 NH1 ARG A 328 19.920 -5.894 -15.475 1.00 40.03 N ATOM 462 NH2 ARG A 328 21.597 -4.421 -16.291 1.00 74.14 N ATOM 0 H ARG A 328 17.420 -3.405 -11.553 1.00 14.23 H new ATOM 0 HA ARG A 328 16.523 -5.993 -11.078 1.00 1.44 H new ATOM 0 HB2 ARG A 328 18.633 -6.719 -12.260 1.00 60.12 H new ATOM 0 HB3 ARG A 328 17.622 -5.594 -13.146 1.00 60.12 H new ATOM 0 HG2 ARG A 328 19.266 -4.048 -13.266 1.00 4.13 H new ATOM 0 HG3 ARG A 328 19.615 -4.164 -11.553 1.00 4.13 H new ATOM 0 HD2 ARG A 328 21.454 -5.486 -11.915 1.00 42.02 H new ATOM 0 HD3 ARG A 328 20.581 -6.550 -12.999 1.00 42.02 H new ATOM 0 HE ARG A 328 22.253 -4.233 -13.806 1.00 74.14 H new ATOM 0 HH11 ARG A 328 19.461 -6.365 -14.695 1.00 40.03 H new ATOM 0 HH12 ARG A 328 19.588 -6.043 -16.428 1.00 40.03 H new ATOM 0 HH21 ARG A 328 22.385 -3.796 -16.122 1.00 74.14 H new ATOM 0 HH22 ARG A 328 21.261 -4.573 -17.242 1.00 74.14 H new ATOM 476 N ALA A 329 18.887 -4.949 -9.116 1.00 34.12 N ATOM 477 CA ALA A 329 19.684 -5.309 -7.979 1.00 32.33 C ATOM 478 C ALA A 329 18.769 -5.642 -6.839 1.00 20.24 C ATOM 479 O ALA A 329 18.924 -6.670 -6.215 1.00 24.43 O ATOM 480 CB ALA A 329 20.630 -4.191 -7.511 1.00 35.35 C ATOM 0 H ALA A 329 18.863 -3.951 -9.326 1.00 34.12 H new ATOM 0 HA ALA A 329 20.300 -6.155 -8.284 1.00 32.33 H new ATOM 0 HB1 ALA A 329 21.200 -4.535 -6.648 1.00 35.35 H new ATOM 0 HB2 ALA A 329 21.314 -3.932 -8.319 1.00 35.35 H new ATOM 0 HB3 ALA A 329 20.047 -3.313 -7.234 1.00 35.35 H new ATOM 486 N LEU A 330 17.837 -4.732 -6.525 1.00 55.31 N ATOM 487 CA LEU A 330 16.936 -4.890 -5.380 1.00 12.04 C ATOM 488 C LEU A 330 15.853 -5.876 -5.737 1.00 34.21 C ATOM 489 O LEU A 330 14.996 -5.545 -6.532 1.00 64.45 O ATOM 490 CB LEU A 330 16.247 -3.536 -5.043 1.00 2.21 C ATOM 491 CG LEU A 330 15.202 -3.579 -3.912 1.00 11.05 C ATOM 492 CD1 LEU A 330 15.707 -4.307 -2.658 1.00 21.32 C ATOM 493 CD2 LEU A 330 14.665 -2.177 -3.577 1.00 35.24 C ATOM 0 H LEU A 330 17.688 -3.873 -7.054 1.00 55.31 H new ATOM 0 HA LEU A 330 17.518 -5.235 -4.526 1.00 12.04 H new ATOM 0 HB2 LEU A 330 17.018 -2.815 -4.772 1.00 2.21 H new ATOM 0 HB3 LEU A 330 15.763 -3.162 -5.945 1.00 2.21 H new ATOM 0 HG LEU A 330 14.368 -4.169 -4.293 1.00 11.05 H new ATOM 0 HD11 LEU A 330 14.927 -4.304 -1.897 1.00 21.32 H new ATOM 0 HD12 LEU A 330 15.962 -5.336 -2.913 1.00 21.32 H new ATOM 0 HD13 LEU A 330 16.591 -3.798 -2.273 1.00 21.32 H new ATOM 0 HD21 LEU A 330 13.931 -2.251 -2.775 1.00 35.24 H new ATOM 0 HD22 LEU A 330 15.489 -1.539 -3.257 1.00 35.24 H new ATOM 0 HD23 LEU A 330 14.194 -1.747 -4.461 1.00 35.24 H new ATOM 505 N PRO A 331 15.821 -7.106 -5.187 1.00 43.45 N ATOM 506 CA PRO A 331 14.691 -7.945 -5.496 1.00 14.23 C ATOM 507 C PRO A 331 13.645 -7.891 -4.418 1.00 32.41 C ATOM 508 O PRO A 331 13.849 -8.335 -3.272 1.00 72.24 O ATOM 509 CB PRO A 331 15.344 -9.341 -5.513 1.00 20.10 C ATOM 510 CG PRO A 331 16.538 -9.234 -4.520 1.00 42.23 C ATOM 511 CD PRO A 331 16.758 -7.727 -4.266 1.00 11.40 C ATOM 0 HA PRO A 331 14.180 -7.658 -6.415 1.00 14.23 H new ATOM 0 HB2 PRO A 331 14.639 -10.111 -5.202 1.00 20.10 H new ATOM 0 HB3 PRO A 331 15.685 -9.606 -6.514 1.00 20.10 H new ATOM 0 HG2 PRO A 331 16.318 -9.757 -3.589 1.00 42.23 H new ATOM 0 HG3 PRO A 331 17.434 -9.692 -4.939 1.00 42.23 H new ATOM 0 HD2 PRO A 331 16.548 -7.456 -3.231 1.00 11.40 H new ATOM 0 HD3 PRO A 331 17.786 -7.428 -4.471 1.00 11.40 H new ATOM 519 N GLU A 332 12.516 -7.334 -4.767 1.00 4.04 N ATOM 520 CA GLU A 332 11.310 -7.379 -3.999 1.00 11.33 C ATOM 521 C GLU A 332 10.299 -7.273 -5.059 1.00 1.43 C ATOM 522 O GLU A 332 10.664 -7.152 -6.237 1.00 51.41 O ATOM 523 CB GLU A 332 11.149 -6.195 -2.996 1.00 42.54 C ATOM 524 CG GLU A 332 12.187 -5.104 -3.197 1.00 31.41 C ATOM 525 CD GLU A 332 11.895 -3.967 -2.248 1.00 12.14 C ATOM 526 OE1 GLU A 332 11.082 -3.069 -2.618 1.00 22.30 O ATOM 527 OE2 GLU A 332 12.492 -3.965 -1.129 1.00 13.13 O ATOM 0 H GLU A 332 12.412 -6.812 -5.637 1.00 4.04 H new ATOM 0 HA GLU A 332 11.257 -8.265 -3.366 1.00 11.33 H new ATOM 0 HB2 GLU A 332 10.153 -5.766 -3.105 1.00 42.54 H new ATOM 0 HB3 GLU A 332 11.222 -6.576 -1.977 1.00 42.54 H new ATOM 0 HG2 GLU A 332 13.187 -5.498 -3.016 1.00 31.41 H new ATOM 0 HG3 GLU A 332 12.166 -4.749 -4.227 1.00 31.41 H new ATOM 534 N PRO A 333 9.031 -7.317 -4.730 1.00 43.41 N ATOM 535 CA PRO A 333 8.099 -6.680 -5.615 1.00 0.21 C ATOM 536 C PRO A 333 8.216 -5.207 -5.296 1.00 55.03 C ATOM 537 O PRO A 333 7.994 -4.799 -4.150 1.00 73.34 O ATOM 538 CB PRO A 333 6.718 -7.222 -5.203 1.00 53.41 C ATOM 539 CG PRO A 333 6.907 -7.829 -3.802 1.00 33.34 C ATOM 540 CD PRO A 333 8.417 -8.023 -3.594 1.00 61.22 C ATOM 0 HA PRO A 333 8.264 -6.853 -6.678 1.00 0.21 H new ATOM 0 HB2 PRO A 333 5.974 -6.425 -5.187 1.00 53.41 H new ATOM 0 HB3 PRO A 333 6.366 -7.973 -5.910 1.00 53.41 H new ATOM 0 HG2 PRO A 333 6.494 -7.170 -3.038 1.00 33.34 H new ATOM 0 HG3 PRO A 333 6.381 -8.780 -3.720 1.00 33.34 H new ATOM 0 HD2 PRO A 333 8.745 -7.606 -2.642 1.00 61.22 H new ATOM 0 HD3 PRO A 333 8.686 -9.079 -3.589 1.00 61.22 H new ATOM 548 N LYS A 334 8.582 -4.385 -6.275 1.00 63.34 N ATOM 549 CA LYS A 334 8.862 -3.005 -5.968 1.00 42.33 C ATOM 550 C LYS A 334 7.624 -2.206 -6.131 1.00 74.32 C ATOM 551 O LYS A 334 6.746 -2.531 -6.952 1.00 41.42 O ATOM 552 CB LYS A 334 9.978 -2.400 -6.848 1.00 1.23 C ATOM 553 CG LYS A 334 11.386 -2.820 -6.405 1.00 33.31 C ATOM 554 CD LYS A 334 12.258 -3.326 -7.547 1.00 65.11 C ATOM 555 CE LYS A 334 12.150 -4.834 -7.751 1.00 3.41 C ATOM 556 NZ LYS A 334 13.059 -5.280 -8.829 1.00 42.02 N ATOM 0 H LYS A 334 8.687 -4.648 -7.255 1.00 63.34 H new ATOM 0 HA LYS A 334 9.216 -2.974 -4.938 1.00 42.33 H new ATOM 0 HB2 LYS A 334 9.823 -2.705 -7.883 1.00 1.23 H new ATOM 0 HB3 LYS A 334 9.904 -1.313 -6.822 1.00 1.23 H new ATOM 0 HG2 LYS A 334 11.878 -1.970 -5.932 1.00 33.31 H new ATOM 0 HG3 LYS A 334 11.302 -3.601 -5.649 1.00 33.31 H new ATOM 0 HD2 LYS A 334 11.973 -2.818 -8.468 1.00 65.11 H new ATOM 0 HD3 LYS A 334 13.297 -3.065 -7.348 1.00 65.11 H new ATOM 0 HE2 LYS A 334 12.396 -5.350 -6.823 1.00 3.41 H new ATOM 0 HE3 LYS A 334 11.123 -5.100 -8.001 1.00 3.41 H new ATOM 0 HZ1 LYS A 334 13.140 -6.317 -8.808 1.00 42.02 H new ATOM 0 HZ2 LYS A 334 12.679 -4.980 -9.750 1.00 42.02 H new ATOM 0 HZ3 LYS A 334 13.999 -4.857 -8.688 1.00 42.02 H new ATOM 570 N LYS A 335 7.518 -1.149 -5.312 1.00 53.21 N ATOM 571 CA LYS A 335 6.417 -0.253 -5.387 1.00 2.12 C ATOM 572 C LYS A 335 6.960 0.994 -5.966 1.00 32.14 C ATOM 573 O LYS A 335 8.138 1.302 -5.819 1.00 5.11 O ATOM 574 CB LYS A 335 5.762 0.089 -4.021 1.00 11.43 C ATOM 575 CG LYS A 335 5.280 -1.147 -3.253 1.00 64.11 C ATOM 576 CD LYS A 335 3.997 -1.756 -3.838 1.00 32.13 C ATOM 577 CE LYS A 335 4.142 -3.234 -4.204 1.00 3.03 C ATOM 578 NZ LYS A 335 4.430 -4.022 -2.998 1.00 3.33 N ATOM 0 H LYS A 335 8.202 -0.916 -4.593 1.00 53.21 H new ATOM 0 HA LYS A 335 5.632 -0.726 -5.977 1.00 2.12 H new ATOM 0 HB2 LYS A 335 6.481 0.632 -3.407 1.00 11.43 H new ATOM 0 HB3 LYS A 335 4.917 0.757 -4.188 1.00 11.43 H new ATOM 0 HG2 LYS A 335 6.068 -1.900 -3.257 1.00 64.11 H new ATOM 0 HG3 LYS A 335 5.105 -0.875 -2.212 1.00 64.11 H new ATOM 0 HD2 LYS A 335 3.188 -1.645 -3.116 1.00 32.13 H new ATOM 0 HD3 LYS A 335 3.709 -1.195 -4.727 1.00 32.13 H new ATOM 0 HE2 LYS A 335 3.226 -3.593 -4.673 1.00 3.03 H new ATOM 0 HE3 LYS A 335 4.944 -3.360 -4.932 1.00 3.03 H new ATOM 0 HZ1 LYS A 335 4.229 -5.026 -3.183 1.00 3.33 H new ATOM 0 HZ2 LYS A 335 5.432 -3.911 -2.742 1.00 3.33 H new ATOM 0 HZ3 LYS A 335 3.833 -3.688 -2.214 1.00 3.33 H new ATOM 592 N CYS A 336 6.094 1.733 -6.655 1.00 61.41 N ATOM 593 CA CYS A 336 6.439 3.004 -7.260 1.00 71.43 C ATOM 594 C CYS A 336 6.921 3.913 -6.138 1.00 61.25 C ATOM 595 O CYS A 336 6.151 4.217 -5.262 1.00 34.14 O ATOM 596 CB CYS A 336 5.198 3.676 -7.897 1.00 32.33 C ATOM 597 SG CYS A 336 5.589 4.697 -9.352 1.00 64.11 S ATOM 0 H CYS A 336 5.124 1.458 -6.807 1.00 61.41 H new ATOM 0 HA CYS A 336 7.191 2.844 -8.033 1.00 71.43 H new ATOM 0 HB2 CYS A 336 4.485 2.904 -8.186 1.00 32.33 H new ATOM 0 HB3 CYS A 336 4.707 4.298 -7.148 1.00 32.33 H new ATOM 602 N PRO A 337 8.150 4.410 -6.202 1.00 34.42 N ATOM 603 CA PRO A 337 8.701 5.254 -5.117 1.00 21.33 C ATOM 604 C PRO A 337 7.985 6.568 -4.949 1.00 73.22 C ATOM 605 O PRO A 337 8.160 7.258 -3.948 1.00 63.54 O ATOM 606 CB PRO A 337 10.171 5.497 -5.519 1.00 45.24 C ATOM 607 CG PRO A 337 10.231 5.203 -7.014 1.00 3.53 C ATOM 608 CD PRO A 337 9.123 4.189 -7.291 1.00 43.01 C ATOM 0 HA PRO A 337 8.587 4.752 -4.156 1.00 21.33 H new ATOM 0 HB2 PRO A 337 10.473 6.523 -5.307 1.00 45.24 H new ATOM 0 HB3 PRO A 337 10.844 4.845 -4.962 1.00 45.24 H new ATOM 0 HG2 PRO A 337 10.082 6.112 -7.596 1.00 3.53 H new ATOM 0 HG3 PRO A 337 11.205 4.802 -7.294 1.00 3.53 H new ATOM 0 HD2 PRO A 337 8.670 4.351 -8.269 1.00 43.01 H new ATOM 0 HD3 PRO A 337 9.506 3.168 -7.282 1.00 43.01 H new ATOM 616 N ILE A 338 7.178 6.944 -5.955 1.00 63.43 N ATOM 617 CA ILE A 338 6.474 8.194 -5.920 1.00 31.43 C ATOM 618 C ILE A 338 5.035 7.973 -5.483 1.00 42.52 C ATOM 619 O ILE A 338 4.457 8.823 -4.845 1.00 3.14 O ATOM 620 CB ILE A 338 6.438 8.888 -7.276 1.00 53.34 C ATOM 621 CG1 ILE A 338 7.654 8.540 -8.151 1.00 0.02 C ATOM 622 CG2 ILE A 338 6.327 10.391 -7.056 1.00 15.10 C ATOM 623 CD1 ILE A 338 8.961 9.160 -7.653 1.00 54.23 C ATOM 0 H ILE A 338 7.011 6.387 -6.793 1.00 63.43 H new ATOM 0 HA ILE A 338 7.014 8.825 -5.214 1.00 31.43 H new ATOM 0 HB ILE A 338 5.566 8.529 -7.823 1.00 53.34 H new ATOM 0 HG12 ILE A 338 7.766 7.456 -8.189 1.00 0.02 H new ATOM 0 HG13 ILE A 338 7.466 8.877 -9.171 1.00 0.02 H new ATOM 0 HG21 ILE A 338 6.300 10.899 -8.020 1.00 15.10 H new ATOM 0 HG22 ILE A 338 5.413 10.611 -6.504 1.00 15.10 H new ATOM 0 HG23 ILE A 338 7.188 10.740 -6.486 1.00 15.10 H new ATOM 0 HD11 ILE A 338 9.776 8.873 -8.317 1.00 54.23 H new ATOM 0 HD12 ILE A 338 8.867 10.246 -7.642 1.00 54.23 H new ATOM 0 HD13 ILE A 338 9.172 8.803 -6.645 1.00 54.23 H new ATOM 635 N CYS A 339 4.409 6.819 -5.851 1.00 23.50 N ATOM 636 CA CYS A 339 2.958 6.720 -5.629 1.00 62.11 C ATOM 637 C CYS A 339 2.586 5.450 -4.878 1.00 22.20 C ATOM 638 O CYS A 339 1.423 5.225 -4.605 1.00 44.02 O ATOM 639 CB CYS A 339 2.144 6.822 -6.964 1.00 74.34 C ATOM 640 SG CYS A 339 2.234 5.317 -7.995 1.00 23.45 S ATOM 0 H CYS A 339 4.856 6.005 -6.272 1.00 23.50 H new ATOM 0 HA CYS A 339 2.687 7.575 -5.009 1.00 62.11 H new ATOM 0 HB2 CYS A 339 1.100 7.028 -6.728 1.00 74.34 H new ATOM 0 HB3 CYS A 339 2.514 7.670 -7.541 1.00 74.34 H new ATOM 645 N ARG A 340 3.569 4.566 -4.609 1.00 0.23 N ATOM 646 CA ARG A 340 3.363 3.329 -3.820 1.00 44.01 C ATOM 647 C ARG A 340 2.511 2.290 -4.539 1.00 41.33 C ATOM 648 O ARG A 340 2.113 1.306 -3.925 1.00 40.31 O ATOM 649 CB ARG A 340 2.796 3.531 -2.398 1.00 2.21 C ATOM 650 CG ARG A 340 3.621 4.486 -1.549 1.00 62.24 C ATOM 651 CD ARG A 340 5.088 4.067 -1.437 1.00 24.30 C ATOM 652 NE ARG A 340 5.715 4.936 -0.409 1.00 41.44 N ATOM 653 CZ ARG A 340 7.069 5.031 -0.307 1.00 5.34 C ATOM 654 NH1 ARG A 340 7.886 4.264 -1.099 1.00 52.12 N ATOM 655 NH2 ARG A 340 7.611 5.890 0.597 1.00 23.13 N ATOM 0 H ARG A 340 4.529 4.688 -4.932 1.00 0.23 H new ATOM 0 HA ARG A 340 4.383 2.961 -3.712 1.00 44.01 H new ATOM 0 HB2 ARG A 340 1.777 3.910 -2.472 1.00 2.21 H new ATOM 0 HB3 ARG A 340 2.741 2.565 -1.896 1.00 2.21 H new ATOM 0 HG2 ARG A 340 3.566 5.486 -1.979 1.00 62.24 H new ATOM 0 HG3 ARG A 340 3.188 4.544 -0.551 1.00 62.24 H new ATOM 0 HD2 ARG A 340 5.168 3.017 -1.154 1.00 24.30 H new ATOM 0 HD3 ARG A 340 5.594 4.178 -2.396 1.00 24.30 H new ATOM 0 HE ARG A 340 5.123 5.469 0.229 1.00 41.44 H new ATOM 0 HH11 ARG A 340 7.480 3.615 -1.773 1.00 52.12 H new ATOM 0 HH12 ARG A 340 8.899 4.343 -1.014 1.00 52.12 H new ATOM 0 HH21 ARG A 340 7.004 6.455 1.191 1.00 23.13 H new ATOM 0 HH22 ARG A 340 8.624 5.969 0.682 1.00 23.13 H new ATOM 669 N GLN A 341 2.192 2.484 -5.837 1.00 53.15 N ATOM 670 CA GLN A 341 1.456 1.451 -6.577 1.00 53.13 C ATOM 671 C GLN A 341 2.448 0.385 -6.916 1.00 72.12 C ATOM 672 O GLN A 341 3.622 0.695 -7.142 1.00 65.32 O ATOM 673 CB GLN A 341 0.926 1.932 -7.936 1.00 23.21 C ATOM 674 CG GLN A 341 -0.311 2.830 -7.876 1.00 72.31 C ATOM 675 CD GLN A 341 -0.446 3.475 -9.256 1.00 1.15 C ATOM 676 OE1 GLN A 341 0.578 3.765 -9.917 1.00 63.43 O ATOM 677 NE2 GLN A 341 -1.680 3.691 -9.718 1.00 64.15 N ATOM 0 H GLN A 341 2.425 3.319 -6.375 1.00 53.15 H new ATOM 0 HA GLN A 341 0.617 1.140 -5.955 1.00 53.13 H new ATOM 0 HB2 GLN A 341 1.723 2.473 -8.447 1.00 23.21 H new ATOM 0 HB3 GLN A 341 0.692 1.059 -8.545 1.00 23.21 H new ATOM 0 HG2 GLN A 341 -1.200 2.250 -7.630 1.00 72.31 H new ATOM 0 HG3 GLN A 341 -0.202 3.589 -7.102 1.00 72.31 H new ATOM 0 HE21 GLN A 341 -2.489 3.441 -9.149 1.00 64.15 H new ATOM 0 HE22 GLN A 341 -1.814 4.106 -10.640 1.00 64.15 H new ATOM 686 N ALA A 342 1.990 -0.882 -6.945 1.00 72.33 N ATOM 687 CA ALA A 342 2.814 -2.019 -7.368 1.00 40.11 C ATOM 688 C ALA A 342 3.242 -1.808 -8.799 1.00 22.54 C ATOM 689 O ALA A 342 2.530 -1.163 -9.597 1.00 31.10 O ATOM 690 CB ALA A 342 2.076 -3.370 -7.293 1.00 13.42 C ATOM 0 H ALA A 342 1.041 -1.140 -6.676 1.00 72.33 H new ATOM 0 HA ALA A 342 3.661 -2.062 -6.684 1.00 40.11 H new ATOM 0 HB1 ALA A 342 2.743 -4.168 -7.620 1.00 13.42 H new ATOM 0 HB2 ALA A 342 1.763 -3.557 -6.266 1.00 13.42 H new ATOM 0 HB3 ALA A 342 1.199 -3.342 -7.940 1.00 13.42 H new ATOM 696 N ILE A 343 4.417 -2.351 -9.150 1.00 72.15 N ATOM 697 CA ILE A 343 4.930 -2.249 -10.487 1.00 61.45 C ATOM 698 C ILE A 343 4.407 -3.438 -11.261 1.00 71.34 C ATOM 699 O ILE A 343 4.491 -4.585 -10.810 1.00 40.31 O ATOM 700 CB ILE A 343 6.455 -2.213 -10.515 1.00 13.03 C ATOM 701 CG1 ILE A 343 6.957 -0.960 -9.773 1.00 23.30 C ATOM 702 CG2 ILE A 343 6.967 -2.242 -11.970 1.00 44.44 C ATOM 703 CD1 ILE A 343 8.432 -0.990 -9.468 1.00 45.33 C ATOM 0 H ILE A 343 5.020 -2.865 -8.507 1.00 72.15 H new ATOM 0 HA ILE A 343 4.598 -1.314 -10.937 1.00 61.45 H new ATOM 0 HB ILE A 343 6.846 -3.095 -10.008 1.00 13.03 H new ATOM 0 HG12 ILE A 343 6.737 -0.079 -10.375 1.00 23.30 H new ATOM 0 HG13 ILE A 343 6.404 -0.854 -8.840 1.00 23.30 H new ATOM 0 HG21 ILE A 343 8.057 -2.216 -11.973 1.00 44.44 H new ATOM 0 HG22 ILE A 343 6.625 -3.155 -12.458 1.00 44.44 H new ATOM 0 HG23 ILE A 343 6.582 -1.376 -12.509 1.00 44.44 H new ATOM 0 HD11 ILE A 343 8.714 -0.076 -8.945 1.00 45.33 H new ATOM 0 HD12 ILE A 343 8.656 -1.852 -8.839 1.00 45.33 H new ATOM 0 HD13 ILE A 343 8.995 -1.064 -10.399 1.00 45.33 H new ATOM 715 N THR A 344 3.843 -3.160 -12.452 1.00 34.40 N ATOM 716 CA THR A 344 3.276 -4.184 -13.290 1.00 43.12 C ATOM 717 C THR A 344 4.325 -4.541 -14.338 1.00 75.41 C ATOM 718 O THR A 344 4.484 -5.711 -14.714 1.00 13.44 O ATOM 719 CB THR A 344 1.966 -3.694 -13.938 1.00 21.25 C ATOM 720 OG1 THR A 344 0.858 -3.984 -13.082 1.00 55.15 O ATOM 721 CG2 THR A 344 1.741 -4.312 -15.328 1.00 63.24 C ATOM 0 H THR A 344 3.778 -2.219 -12.841 1.00 34.40 H new ATOM 0 HA THR A 344 3.018 -5.068 -12.706 1.00 43.12 H new ATOM 0 HB THR A 344 2.049 -2.616 -14.073 1.00 21.25 H new ATOM 0 HG1 THR A 344 0.030 -3.668 -13.500 1.00 55.15 H new ATOM 0 HG21 THR A 344 0.806 -3.938 -15.746 1.00 63.24 H new ATOM 0 HG22 THR A 344 2.567 -4.040 -15.985 1.00 63.24 H new ATOM 0 HG23 THR A 344 1.690 -5.397 -15.240 1.00 63.24 H new ATOM 729 N ARG A 345 5.109 -3.553 -14.762 1.00 24.51 N ATOM 730 CA ARG A 345 6.118 -3.800 -15.760 1.00 0.13 C ATOM 731 C ARG A 345 7.045 -2.675 -15.678 1.00 24.52 C ATOM 732 O ARG A 345 6.725 -1.652 -15.098 1.00 52.01 O ATOM 733 CB ARG A 345 5.571 -3.875 -17.218 1.00 40.52 C ATOM 734 CG ARG A 345 6.157 -5.027 -18.032 1.00 75.14 C ATOM 735 CD ARG A 345 5.966 -4.853 -19.545 1.00 64.11 C ATOM 736 NE ARG A 345 6.715 -5.945 -20.248 1.00 73.23 N ATOM 737 CZ ARG A 345 8.033 -5.778 -20.625 1.00 42.14 C ATOM 738 NH1 ARG A 345 8.716 -4.632 -20.297 1.00 41.43 N ATOM 739 NH2 ARG A 345 8.676 -6.771 -21.321 1.00 4.44 N ATOM 0 H ARG A 345 5.059 -2.590 -14.429 1.00 24.51 H new ATOM 0 HA ARG A 345 6.570 -4.771 -15.558 1.00 0.13 H new ATOM 0 HB2 ARG A 345 4.486 -3.979 -17.185 1.00 40.52 H new ATOM 0 HB3 ARG A 345 5.786 -2.935 -17.727 1.00 40.52 H new ATOM 0 HG2 ARG A 345 7.221 -5.114 -17.814 1.00 75.14 H new ATOM 0 HG3 ARG A 345 5.690 -5.960 -17.718 1.00 75.14 H new ATOM 0 HD2 ARG A 345 4.907 -4.895 -19.800 1.00 64.11 H new ATOM 0 HD3 ARG A 345 6.332 -3.877 -19.863 1.00 64.11 H new ATOM 0 HE ARG A 345 6.243 -6.826 -20.451 1.00 73.23 H new ATOM 0 HH11 ARG A 345 8.250 -3.894 -19.770 1.00 41.43 H new ATOM 0 HH12 ARG A 345 9.689 -4.519 -20.581 1.00 41.43 H new ATOM 0 HH21 ARG A 345 8.180 -7.630 -21.559 1.00 4.44 H new ATOM 0 HH22 ARG A 345 9.649 -6.650 -21.600 1.00 4.44 H new ATOM 753 N VAL A 346 8.239 -2.852 -16.223 1.00 34.30 N ATOM 754 CA VAL A 346 9.187 -1.794 -16.255 1.00 20.22 C ATOM 755 C VAL A 346 9.599 -1.635 -17.683 1.00 64.23 C ATOM 756 O VAL A 346 9.969 -2.604 -18.363 1.00 41.44 O ATOM 757 CB VAL A 346 10.407 -2.036 -15.357 1.00 22.53 C ATOM 758 CG1 VAL A 346 11.143 -3.335 -15.758 1.00 40.31 C ATOM 759 CG2 VAL A 346 11.323 -0.801 -15.382 1.00 44.52 C ATOM 0 H VAL A 346 8.557 -3.725 -16.644 1.00 34.30 H new ATOM 0 HA VAL A 346 8.728 -0.888 -15.860 1.00 20.22 H new ATOM 0 HB VAL A 346 10.077 -2.180 -14.328 1.00 22.53 H new ATOM 0 HG11 VAL A 346 12.003 -3.482 -15.105 1.00 40.31 H new ATOM 0 HG12 VAL A 346 10.465 -4.183 -15.660 1.00 40.31 H new ATOM 0 HG13 VAL A 346 11.481 -3.258 -16.792 1.00 40.31 H new ATOM 0 HG21 VAL A 346 12.188 -0.977 -14.743 1.00 44.52 H new ATOM 0 HG22 VAL A 346 11.657 -0.617 -16.403 1.00 44.52 H new ATOM 0 HG23 VAL A 346 10.773 0.067 -15.018 1.00 44.52 H new ATOM 769 N ILE A 347 9.468 -0.405 -18.185 1.00 42.12 N ATOM 770 CA ILE A 347 9.894 -0.080 -19.504 1.00 60.23 C ATOM 771 C ILE A 347 11.240 0.564 -19.288 1.00 63.13 C ATOM 772 O ILE A 347 11.335 1.636 -18.690 1.00 53.02 O ATOM 773 CB ILE A 347 8.979 0.931 -20.197 1.00 15.40 C ATOM 774 CG1 ILE A 347 7.487 0.561 -20.009 1.00 12.44 C ATOM 775 CG2 ILE A 347 9.360 1.007 -21.687 1.00 1.03 C ATOM 776 CD1 ILE A 347 6.746 1.511 -19.086 1.00 60.32 C ATOM 0 H ILE A 347 9.061 0.377 -17.671 1.00 42.12 H new ATOM 0 HA ILE A 347 9.899 -0.966 -20.139 1.00 60.23 H new ATOM 0 HB ILE A 347 9.115 1.913 -19.743 1.00 15.40 H new ATOM 0 HG12 ILE A 347 6.996 0.554 -20.982 1.00 12.44 H new ATOM 0 HG13 ILE A 347 7.418 -0.451 -19.610 1.00 12.44 H new ATOM 0 HG21 ILE A 347 8.714 1.725 -22.192 1.00 1.03 H new ATOM 0 HG22 ILE A 347 10.398 1.324 -21.781 1.00 1.03 H new ATOM 0 HG23 ILE A 347 9.238 0.025 -22.144 1.00 1.03 H new ATOM 0 HD11 ILE A 347 5.706 1.195 -18.997 1.00 60.32 H new ATOM 0 HD12 ILE A 347 7.214 1.500 -18.101 1.00 60.32 H new ATOM 0 HD13 ILE A 347 6.785 2.520 -19.495 1.00 60.32 H new ATOM 788 N PRO A 348 12.303 -0.077 -19.735 1.00 41.14 N ATOM 789 CA PRO A 348 13.624 0.426 -19.492 1.00 43.13 C ATOM 790 C PRO A 348 14.056 1.416 -20.513 1.00 35.30 C ATOM 791 O PRO A 348 13.663 1.349 -21.691 1.00 25.30 O ATOM 792 CB PRO A 348 14.507 -0.822 -19.556 1.00 53.14 C ATOM 793 CG PRO A 348 13.797 -1.731 -20.559 1.00 51.43 C ATOM 794 CD PRO A 348 12.320 -1.310 -20.546 1.00 51.21 C ATOM 0 HA PRO A 348 13.680 0.956 -18.541 1.00 43.13 H new ATOM 0 HB2 PRO A 348 15.517 -0.579 -19.884 1.00 53.14 H new ATOM 0 HB3 PRO A 348 14.595 -1.298 -18.580 1.00 53.14 H new ATOM 0 HG2 PRO A 348 14.225 -1.621 -21.555 1.00 51.43 H new ATOM 0 HG3 PRO A 348 13.906 -2.779 -20.280 1.00 51.43 H new ATOM 0 HD2 PRO A 348 11.949 -1.129 -21.555 1.00 51.21 H new ATOM 0 HD3 PRO A 348 11.689 -2.084 -20.108 1.00 51.21 H new ATOM 802 N LEU A 349 14.898 2.327 -20.092 1.00 53.12 N ATOM 803 CA LEU A 349 15.449 3.304 -20.951 1.00 21.10 C ATOM 804 C LEU A 349 16.868 2.942 -20.869 1.00 60.53 C ATOM 805 O LEU A 349 17.393 2.838 -19.771 1.00 41.33 O ATOM 806 CB LEU A 349 15.260 4.755 -20.429 1.00 23.30 C ATOM 807 CG LEU A 349 13.797 5.091 -20.036 1.00 64.42 C ATOM 808 CD1 LEU A 349 13.646 6.494 -19.433 1.00 32.20 C ATOM 809 CD2 LEU A 349 12.808 4.862 -21.186 1.00 2.21 C ATOM 0 H LEU A 349 15.215 2.398 -19.125 1.00 53.12 H new ATOM 0 HA LEU A 349 14.997 3.308 -21.943 1.00 21.10 H new ATOM 0 HB2 LEU A 349 15.904 4.907 -19.562 1.00 23.30 H new ATOM 0 HB3 LEU A 349 15.590 5.454 -21.197 1.00 23.30 H new ATOM 0 HG LEU A 349 13.539 4.383 -19.248 1.00 64.42 H new ATOM 0 HD11 LEU A 349 12.601 6.670 -19.179 1.00 32.20 H new ATOM 0 HD12 LEU A 349 14.256 6.571 -18.533 1.00 32.20 H new ATOM 0 HD13 LEU A 349 13.973 7.239 -20.158 1.00 32.20 H new ATOM 0 HD21 LEU A 349 11.800 5.113 -20.855 1.00 2.21 H new ATOM 0 HD22 LEU A 349 13.080 5.494 -22.031 1.00 2.21 H new ATOM 0 HD23 LEU A 349 12.840 3.816 -21.490 1.00 2.21 H new ATOM 821 N TYR A 350 17.550 2.724 -21.988 1.00 0.44 N ATOM 822 CA TYR A 350 18.895 2.230 -21.883 1.00 72.32 C ATOM 823 C TYR A 350 19.785 3.405 -21.861 1.00 45.21 C ATOM 824 O TYR A 350 20.105 4.001 -22.888 1.00 60.21 O ATOM 825 CB TYR A 350 19.307 1.281 -23.031 1.00 4.41 C ATOM 826 CG TYR A 350 18.955 -0.155 -22.737 1.00 12.51 C ATOM 827 CD1 TYR A 350 19.821 -0.955 -22.018 1.00 71.23 C ATOM 828 CD2 TYR A 350 17.754 -0.688 -23.156 1.00 43.54 C ATOM 829 CE1 TYR A 350 19.495 -2.257 -21.726 1.00 4.31 C ATOM 830 CE2 TYR A 350 17.432 -1.993 -22.866 1.00 43.21 C ATOM 831 CZ TYR A 350 18.303 -2.776 -22.149 1.00 41.13 C ATOM 832 OH TYR A 350 17.964 -4.120 -21.846 1.00 34.11 O ATOM 0 H TYR A 350 17.203 2.877 -22.935 1.00 0.44 H new ATOM 0 HA TYR A 350 18.970 1.632 -20.974 1.00 72.32 H new ATOM 0 HB2 TYR A 350 18.815 1.593 -23.952 1.00 4.41 H new ATOM 0 HB3 TYR A 350 20.381 1.363 -23.200 1.00 4.41 H new ATOM 0 HD1 TYR A 350 20.765 -0.553 -21.682 1.00 71.23 H new ATOM 0 HD2 TYR A 350 17.062 -0.076 -23.716 1.00 43.54 H new ATOM 0 HE1 TYR A 350 20.181 -2.871 -21.162 1.00 4.31 H new ATOM 0 HE2 TYR A 350 16.492 -2.403 -23.203 1.00 43.21 H new ATOM 0 HH TYR A 350 17.082 -4.327 -22.220 1.00 34.11 H new ATOM 842 N ASN A 351 20.157 3.769 -20.651 1.00 24.45 N ATOM 843 CA ASN A 351 21.047 4.837 -20.373 1.00 20.31 C ATOM 844 C ASN A 351 21.513 4.469 -19.017 1.00 73.13 C ATOM 845 O ASN A 351 21.110 3.423 -18.503 1.00 32.42 O ATOM 846 CB ASN A 351 20.366 6.240 -20.321 1.00 63.41 C ATOM 847 CG ASN A 351 20.332 6.927 -21.692 1.00 2.31 C ATOM 848 OD1 ASN A 351 21.381 7.229 -22.275 1.00 43.02 O ATOM 849 ND2 ASN A 351 19.120 7.193 -22.223 1.00 13.00 N ATOM 0 H ASN A 351 19.823 3.298 -19.810 1.00 24.45 H new ATOM 0 HA ASN A 351 21.812 4.942 -21.142 1.00 20.31 H new ATOM 0 HB2 ASN A 351 19.348 6.133 -19.947 1.00 63.41 H new ATOM 0 HB3 ASN A 351 20.901 6.874 -19.614 1.00 63.41 H new ATOM 0 HD21 ASN A 351 19.051 7.655 -23.130 1.00 13.00 H new ATOM 0 HD22 ASN A 351 18.273 6.932 -21.718 1.00 13.00 H new ATOM 856 N SER A 352 22.318 5.286 -18.371 1.00 51.13 N ATOM 857 CA SER A 352 22.739 4.946 -17.031 1.00 4.42 C ATOM 858 C SER A 352 21.626 5.402 -16.070 1.00 21.35 C ATOM 859 O SER A 352 20.922 6.407 -16.396 1.00 0.00 O ATOM 860 CB SER A 352 24.037 5.651 -16.617 1.00 40.32 C ATOM 861 OG SER A 352 25.083 5.342 -17.546 1.00 71.31 O ATOM 862 OXT SER A 352 21.468 4.761 -14.994 1.00 0.00 O ATOM 0 H SER A 352 22.684 6.164 -18.739 1.00 51.13 H new ATOM 0 HA SER A 352 22.921 3.872 -16.995 1.00 4.42 H new ATOM 0 HB2 SER A 352 23.879 6.729 -16.581 1.00 40.32 H new ATOM 0 HB3 SER A 352 24.326 5.337 -15.614 1.00 40.32 H new ATOM 0 HG SER A 352 25.907 5.798 -17.274 1.00 71.31 H new TER 868 SER A 352 HETATM 869 ZN ZN A 500 19.407 4.055 -9.151 1.00 0.00 ZN HETATM 870 ZN ZN A 501 3.606 5.844 -9.846 1.00 0.00 ZN