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 311 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 324 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 297 SER OG : rot 180:sc=-0.00662 USER MOD Single : A 299 LYS NZ :NH3+ -131:sc= 0.702 (180deg=-0.977) USER MOD Single : A 300 SER OG : rot -170:sc= 0 USER MOD Single : A 307 SER OG : rot 47:sc= 0.243 USER MOD Single : A 308 SER OG : rot 135:sc= 0.649 USER MOD Single : A 310 LYS NZ :NH3+ -129:sc= 0.109 (180deg=-1.12) USER MOD Single : A 312 CYS SG : rot 14:sc= 0.292 USER MOD Single : A 321 CYS SG : rot 64:sc= -0.892 USER MOD Single : A 322 SER OG : rot 180:sc= 0.14 USER MOD Single : A 327 TYR OH : rot 180:sc= 0 USER MOD Single : A 334 LYS NZ :NH3+ -160:sc= 0.223 (180deg=0.157) USER MOD Single : A 335 LYS NZ :NH3+ -109:sc= 0.449 (180deg=-1.18) USER MOD Single : A 341 GLN : amide:sc= -1.52 K(o=-1.5,f=-9.1!) 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 X(o=0,f=0) USER MOD Single : A 352 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 296 10.491 11.037 -10.534 1.00 13.00 N ATOM 2 CA GLY A 296 9.134 11.622 -10.706 1.00 45.03 C ATOM 3 C GLY A 296 9.168 12.627 -11.806 1.00 73.23 C ATOM 4 O GLY A 296 8.533 13.670 -11.734 1.00 42.04 O ATOM 0 HA2 GLY A 296 8.413 10.837 -10.937 1.00 45.03 H new ATOM 0 HA3 GLY A 296 8.807 12.092 -9.778 1.00 45.03 H new ATOM 10 N SER A 297 9.944 12.338 -12.846 1.00 4.31 N ATOM 11 CA SER A 297 10.080 13.229 -13.959 1.00 51.25 C ATOM 12 C SER A 297 10.414 12.339 -15.113 1.00 12.22 C ATOM 13 O SER A 297 9.722 11.348 -15.329 1.00 23.54 O ATOM 14 CB SER A 297 11.197 14.290 -13.755 1.00 64.21 C ATOM 15 OG SER A 297 10.958 15.018 -12.548 1.00 32.31 O ATOM 0 H SER A 297 10.488 11.479 -12.927 1.00 4.31 H new ATOM 0 HA SER A 297 9.167 13.805 -14.106 1.00 51.25 H new ATOM 0 HB2 SER A 297 12.171 13.802 -13.710 1.00 64.21 H new ATOM 0 HB3 SER A 297 11.222 14.973 -14.604 1.00 64.21 H new ATOM 0 HG SER A 297 11.665 15.685 -12.423 1.00 32.31 H new ATOM 21 N LEU A 298 11.487 12.652 -15.864 1.00 35.12 N ATOM 22 CA LEU A 298 11.905 11.820 -16.949 1.00 5.41 C ATOM 23 C LEU A 298 13.332 12.179 -17.169 1.00 43.22 C ATOM 24 O LEU A 298 13.650 13.356 -17.306 1.00 4.21 O ATOM 25 CB LEU A 298 11.128 12.069 -18.272 1.00 35.24 C ATOM 26 CG LEU A 298 11.117 10.850 -19.227 1.00 1.43 C ATOM 27 CD1 LEU A 298 9.702 10.484 -19.688 1.00 72.15 C ATOM 28 CD2 LEU A 298 12.076 11.026 -20.414 1.00 74.34 C ATOM 0 H LEU A 298 12.064 13.481 -15.719 1.00 35.12 H new ATOM 0 HA LEU A 298 11.728 10.775 -16.694 1.00 5.41 H new ATOM 0 HB2 LEU A 298 10.100 12.341 -18.033 1.00 35.24 H new ATOM 0 HB3 LEU A 298 11.572 12.920 -18.789 1.00 35.24 H new ATOM 0 HG LEU A 298 11.489 10.006 -18.646 1.00 1.43 H new ATOM 0 HD11 LEU A 298 9.748 9.624 -20.356 1.00 72.15 H new ATOM 0 HD12 LEU A 298 9.089 10.238 -18.821 1.00 72.15 H new ATOM 0 HD13 LEU A 298 9.261 11.330 -20.216 1.00 72.15 H new ATOM 0 HD21 LEU A 298 12.030 10.144 -21.053 1.00 74.34 H new ATOM 0 HD22 LEU A 298 11.786 11.906 -20.989 1.00 74.34 H new ATOM 0 HD23 LEU A 298 13.093 11.154 -20.044 1.00 74.34 H new ATOM 40 N LYS A 299 14.236 11.157 -17.148 1.00 1.14 N ATOM 41 CA LYS A 299 15.673 11.340 -17.387 1.00 73.23 C ATOM 42 C LYS A 299 16.233 12.379 -16.446 1.00 2.00 C ATOM 43 O LYS A 299 16.694 13.437 -16.860 1.00 0.43 O ATOM 44 CB LYS A 299 16.039 11.709 -18.843 1.00 45.11 C ATOM 45 CG LYS A 299 15.748 10.570 -19.840 1.00 52.34 C ATOM 46 CD LYS A 299 17.007 9.930 -20.453 1.00 21.21 C ATOM 47 CE LYS A 299 17.330 8.541 -19.882 1.00 23.50 C ATOM 48 NZ LYS A 299 17.921 8.657 -18.527 1.00 54.31 N ATOM 0 H LYS A 299 13.974 10.188 -16.964 1.00 1.14 H new ATOM 0 HA LYS A 299 16.124 10.366 -17.198 1.00 73.23 H new ATOM 0 HB2 LYS A 299 15.480 12.597 -19.139 1.00 45.11 H new ATOM 0 HB3 LYS A 299 17.097 11.967 -18.892 1.00 45.11 H new ATOM 0 HG2 LYS A 299 15.171 9.797 -19.332 1.00 52.34 H new ATOM 0 HG3 LYS A 299 15.123 10.957 -20.644 1.00 52.34 H new ATOM 0 HD2 LYS A 299 16.875 9.848 -21.532 1.00 21.21 H new ATOM 0 HD3 LYS A 299 17.858 10.590 -20.285 1.00 21.21 H new ATOM 0 HE2 LYS A 299 16.422 7.940 -19.838 1.00 23.50 H new ATOM 0 HE3 LYS A 299 18.024 8.022 -20.544 1.00 23.50 H new ATOM 0 HZ1 LYS A 299 18.784 8.079 -18.474 1.00 54.31 H new ATOM 0 HZ2 LYS A 299 18.159 9.651 -18.336 1.00 54.31 H new ATOM 0 HZ3 LYS A 299 17.236 8.323 -17.820 1.00 54.31 H new ATOM 62 N SER A 300 16.164 12.093 -15.156 1.00 3.12 N ATOM 63 CA SER A 300 16.708 12.961 -14.153 1.00 12.04 C ATOM 64 C SER A 300 17.368 12.023 -13.192 1.00 55.23 C ATOM 65 O SER A 300 17.671 10.895 -13.563 1.00 3.53 O ATOM 66 CB SER A 300 15.626 13.807 -13.424 1.00 32.21 C ATOM 67 OG SER A 300 14.660 14.277 -14.380 1.00 2.40 O ATOM 0 H SER A 300 15.727 11.249 -14.786 1.00 3.12 H new ATOM 0 HA SER A 300 17.384 13.695 -14.592 1.00 12.04 H new ATOM 0 HB2 SER A 300 15.134 13.206 -12.659 1.00 32.21 H new ATOM 0 HB3 SER A 300 16.091 14.652 -12.916 1.00 32.21 H new ATOM 0 HG SER A 300 14.072 14.935 -13.954 1.00 2.40 H new ATOM 73 N ALA A 301 17.594 12.437 -11.941 1.00 41.01 N ATOM 74 CA ALA A 301 18.267 11.573 -10.987 1.00 13.55 C ATOM 75 C ALA A 301 17.336 10.466 -10.576 1.00 40.31 C ATOM 76 O ALA A 301 16.162 10.693 -10.300 1.00 4.35 O ATOM 77 CB ALA A 301 18.711 12.299 -9.701 1.00 62.14 C ATOM 0 H ALA A 301 17.323 13.351 -11.577 1.00 41.01 H new ATOM 0 HA ALA A 301 19.159 11.203 -11.493 1.00 13.55 H new ATOM 0 HB1 ALA A 301 19.206 11.591 -9.036 1.00 62.14 H new ATOM 0 HB2 ALA A 301 19.403 13.102 -9.957 1.00 62.14 H new ATOM 0 HB3 ALA A 301 17.838 12.718 -9.200 1.00 62.14 H new ATOM 83 N CYS A 302 17.861 9.204 -10.588 1.00 65.22 N ATOM 84 CA CYS A 302 17.148 8.025 -10.067 1.00 52.23 C ATOM 85 C CYS A 302 16.778 8.367 -8.647 1.00 22.22 C ATOM 86 O CYS A 302 17.655 8.475 -7.824 1.00 13.50 O ATOM 87 CB CYS A 302 18.090 6.765 -10.067 1.00 40.05 C ATOM 88 SG CYS A 302 17.369 5.185 -9.443 1.00 41.41 S ATOM 0 H CYS A 302 18.786 8.990 -10.960 1.00 65.22 H new ATOM 0 HA CYS A 302 16.277 7.790 -10.679 1.00 52.23 H new ATOM 0 HB2 CYS A 302 18.437 6.600 -11.087 1.00 40.05 H new ATOM 0 HB3 CYS A 302 18.969 6.998 -9.466 1.00 40.05 H new ATOM 93 N VAL A 303 15.450 8.390 -8.338 1.00 60.23 N ATOM 94 CA VAL A 303 14.937 8.952 -7.073 1.00 1.53 C ATOM 95 C VAL A 303 15.358 8.099 -5.909 1.00 55.21 C ATOM 96 O VAL A 303 15.352 8.536 -4.767 1.00 64.33 O ATOM 97 CB VAL A 303 13.415 9.055 -7.047 1.00 31.35 C ATOM 98 CG1 VAL A 303 12.957 9.847 -8.271 1.00 0.51 C ATOM 99 CG2 VAL A 303 12.783 7.643 -7.014 1.00 21.51 C ATOM 0 H VAL A 303 14.723 8.024 -8.953 1.00 60.23 H new ATOM 0 HA VAL A 303 15.358 9.955 -6.998 1.00 1.53 H new ATOM 0 HB VAL A 303 13.088 9.576 -6.147 1.00 31.35 H new ATOM 0 HG11 VAL A 303 11.870 9.929 -8.266 1.00 0.51 H new ATOM 0 HG12 VAL A 303 13.396 10.844 -8.244 1.00 0.51 H new ATOM 0 HG13 VAL A 303 13.278 9.334 -9.177 1.00 0.51 H new ATOM 0 HG21 VAL A 303 11.697 7.731 -6.996 1.00 21.51 H new ATOM 0 HG22 VAL A 303 13.087 7.087 -7.901 1.00 21.51 H new ATOM 0 HG23 VAL A 303 13.119 7.115 -6.122 1.00 21.51 H new ATOM 109 N VAL A 304 15.754 6.870 -6.204 1.00 52.44 N ATOM 110 CA VAL A 304 16.077 5.940 -5.184 1.00 52.14 C ATOM 111 C VAL A 304 17.533 6.112 -4.805 1.00 61.13 C ATOM 112 O VAL A 304 17.842 6.264 -3.641 1.00 1.01 O ATOM 113 CB VAL A 304 15.830 4.487 -5.621 1.00 44.11 C ATOM 114 CG1 VAL A 304 15.280 3.699 -4.424 1.00 12.12 C ATOM 115 CG2 VAL A 304 14.833 4.469 -6.809 1.00 53.52 C ATOM 0 H VAL A 304 15.853 6.512 -7.154 1.00 52.44 H new ATOM 0 HA VAL A 304 15.428 6.139 -4.331 1.00 52.14 H new ATOM 0 HB VAL A 304 16.759 4.022 -5.951 1.00 44.11 H new ATOM 0 HG11 VAL A 304 15.100 2.666 -4.720 1.00 12.12 H new ATOM 0 HG12 VAL A 304 16.004 3.722 -3.610 1.00 12.12 H new ATOM 0 HG13 VAL A 304 14.345 4.149 -4.091 1.00 12.12 H new ATOM 0 HG21 VAL A 304 14.657 3.439 -7.120 1.00 53.52 H new ATOM 0 HG22 VAL A 304 13.891 4.921 -6.500 1.00 53.52 H new ATOM 0 HG23 VAL A 304 15.250 5.034 -7.643 1.00 53.52 H new ATOM 125 N CYS A 305 18.460 6.152 -5.796 1.00 63.32 N ATOM 126 CA CYS A 305 19.883 6.166 -5.439 1.00 41.05 C ATOM 127 C CYS A 305 20.399 7.603 -5.373 1.00 43.21 C ATOM 128 O CYS A 305 21.125 7.954 -4.461 1.00 62.24 O ATOM 129 CB CYS A 305 20.802 5.256 -6.347 1.00 12.01 C ATOM 130 SG CYS A 305 20.700 5.590 -8.147 1.00 4.10 S ATOM 0 H CYS A 305 18.255 6.174 -6.795 1.00 63.32 H new ATOM 0 HA CYS A 305 19.948 5.713 -4.450 1.00 41.05 H new ATOM 0 HB2 CYS A 305 21.837 5.381 -6.029 1.00 12.01 H new ATOM 0 HB3 CYS A 305 20.539 4.213 -6.172 1.00 12.01 H new ATOM 135 N LEU A 306 20.042 8.436 -6.401 1.00 53.52 N ATOM 136 CA LEU A 306 20.404 9.874 -6.470 1.00 3.23 C ATOM 137 C LEU A 306 21.838 9.963 -6.915 1.00 5.21 C ATOM 138 O LEU A 306 22.570 10.883 -6.551 1.00 41.44 O ATOM 139 CB LEU A 306 20.234 10.724 -5.157 1.00 40.53 C ATOM 140 CG LEU A 306 18.771 10.931 -4.686 1.00 54.35 C ATOM 141 CD1 LEU A 306 17.820 11.371 -5.809 1.00 61.24 C ATOM 142 CD2 LEU A 306 18.221 9.745 -3.884 1.00 13.34 C ATOM 0 H LEU A 306 19.495 8.120 -7.201 1.00 53.52 H new ATOM 0 HA LEU A 306 19.689 10.313 -7.166 1.00 3.23 H new ATOM 0 HB2 LEU A 306 20.791 10.239 -4.355 1.00 40.53 H new ATOM 0 HB3 LEU A 306 20.689 11.702 -5.315 1.00 40.53 H new ATOM 0 HG LEU A 306 18.818 11.771 -3.993 1.00 54.35 H new ATOM 0 HD11 LEU A 306 16.815 11.496 -5.406 1.00 61.24 H new ATOM 0 HD12 LEU A 306 18.164 12.317 -6.227 1.00 61.24 H new ATOM 0 HD13 LEU A 306 17.805 10.612 -6.592 1.00 61.24 H new ATOM 0 HD21 LEU A 306 17.194 9.953 -3.584 1.00 13.34 H new ATOM 0 HD22 LEU A 306 18.244 8.847 -4.501 1.00 13.34 H new ATOM 0 HD23 LEU A 306 18.834 9.591 -2.996 1.00 13.34 H new ATOM 154 N SER A 307 22.273 8.969 -7.690 1.00 32.34 N ATOM 155 CA SER A 307 23.621 8.934 -8.189 1.00 55.11 C ATOM 156 C SER A 307 23.521 8.760 -9.676 1.00 41.01 C ATOM 157 O SER A 307 24.012 9.575 -10.450 1.00 35.33 O ATOM 158 CB SER A 307 24.427 7.753 -7.601 1.00 0.31 C ATOM 159 OG SER A 307 23.531 6.761 -7.085 1.00 34.14 O ATOM 0 H SER A 307 21.696 8.179 -7.979 1.00 32.34 H new ATOM 0 HA SER A 307 24.138 9.851 -7.906 1.00 55.11 H new ATOM 0 HB2 SER A 307 25.063 7.316 -8.371 1.00 0.31 H new ATOM 0 HB3 SER A 307 25.085 8.109 -6.808 1.00 0.31 H new ATOM 0 HG SER A 307 22.829 6.580 -7.744 1.00 34.14 H new ATOM 165 N SER A 308 22.841 7.678 -10.099 1.00 61.13 N ATOM 166 CA SER A 308 22.697 7.381 -11.502 1.00 35.51 C ATOM 167 C SER A 308 21.392 7.978 -11.927 1.00 24.53 C ATOM 168 O SER A 308 20.485 8.180 -11.085 1.00 72.34 O ATOM 169 CB SER A 308 22.666 5.862 -11.816 1.00 4.12 C ATOM 170 OG SER A 308 21.948 5.131 -10.806 1.00 60.11 O ATOM 0 H SER A 308 22.390 7.007 -9.476 1.00 61.13 H new ATOM 0 HA SER A 308 23.558 7.788 -12.032 1.00 35.51 H new ATOM 0 HB2 SER A 308 22.198 5.699 -12.787 1.00 4.12 H new ATOM 0 HB3 SER A 308 23.685 5.483 -11.886 1.00 4.12 H new ATOM 0 HG SER A 308 21.342 4.490 -11.234 1.00 60.11 H new ATOM 176 N PHE A 309 21.234 8.216 -13.238 1.00 52.35 N ATOM 177 CA PHE A 309 20.013 8.794 -13.762 1.00 15.31 C ATOM 178 C PHE A 309 18.964 7.726 -13.760 1.00 53.04 C ATOM 179 O PHE A 309 19.253 6.536 -13.590 1.00 11.05 O ATOM 180 CB PHE A 309 20.139 9.303 -15.224 1.00 5.01 C ATOM 181 CG PHE A 309 20.843 10.623 -15.364 1.00 44.54 C ATOM 182 CD1 PHE A 309 20.127 11.780 -15.603 1.00 3.12 C ATOM 183 CD2 PHE A 309 22.217 10.707 -15.251 1.00 33.21 C ATOM 184 CE1 PHE A 309 20.771 12.984 -15.724 1.00 54.11 C ATOM 185 CE2 PHE A 309 22.852 11.915 -15.375 1.00 40.42 C ATOM 186 CZ PHE A 309 22.131 13.050 -15.610 1.00 60.35 C ATOM 0 H PHE A 309 21.942 8.013 -13.944 1.00 52.35 H new ATOM 0 HA PHE A 309 19.770 9.649 -13.132 1.00 15.31 H new ATOM 0 HB2 PHE A 309 20.674 8.556 -15.811 1.00 5.01 H new ATOM 0 HB3 PHE A 309 19.141 9.390 -15.653 1.00 5.01 H new ATOM 0 HD1 PHE A 309 19.052 11.736 -15.695 1.00 3.12 H new ATOM 0 HD2 PHE A 309 22.795 9.814 -15.064 1.00 33.21 H new ATOM 0 HE1 PHE A 309 20.202 13.883 -15.910 1.00 54.11 H new ATOM 0 HE2 PHE A 309 23.927 11.969 -15.286 1.00 40.42 H new ATOM 0 HZ PHE A 309 22.635 14.000 -15.706 1.00 60.35 H new ATOM 196 N LYS A 310 17.699 8.148 -13.832 1.00 32.30 N ATOM 197 CA LYS A 310 16.608 7.225 -13.932 1.00 34.31 C ATOM 198 C LYS A 310 16.439 6.911 -15.374 1.00 32.34 C ATOM 199 O LYS A 310 16.302 7.809 -16.206 1.00 3.50 O ATOM 200 CB LYS A 310 15.273 7.769 -13.405 1.00 2.30 C ATOM 201 CG LYS A 310 15.092 9.259 -13.634 1.00 31.25 C ATOM 202 CD LYS A 310 13.667 9.620 -13.989 1.00 21.25 C ATOM 203 CE LYS A 310 13.195 10.944 -13.396 1.00 52.41 C ATOM 204 NZ LYS A 310 13.381 10.965 -11.928 1.00 3.02 N ATOM 0 H LYS A 310 17.423 9.130 -13.822 1.00 32.30 H new ATOM 0 HA LYS A 310 16.852 6.358 -13.318 1.00 34.31 H new ATOM 0 HB2 LYS A 310 14.456 7.234 -13.888 1.00 2.30 H new ATOM 0 HB3 LYS A 310 15.202 7.563 -12.337 1.00 2.30 H new ATOM 0 HG2 LYS A 310 15.388 9.800 -12.735 1.00 31.25 H new ATOM 0 HG3 LYS A 310 15.756 9.584 -14.435 1.00 31.25 H new ATOM 0 HD2 LYS A 310 13.575 9.666 -15.074 1.00 21.25 H new ATOM 0 HD3 LYS A 310 13.006 8.824 -13.647 1.00 21.25 H new ATOM 0 HE2 LYS A 310 13.749 11.767 -13.848 1.00 52.41 H new ATOM 0 HE3 LYS A 310 12.143 11.099 -13.635 1.00 52.41 H new ATOM 0 HZ1 LYS A 310 12.492 11.250 -11.469 1.00 3.02 H new ATOM 0 HZ2 LYS A 310 13.652 10.016 -11.599 1.00 3.02 H new ATOM 0 HZ3 LYS A 310 14.130 11.644 -11.683 1.00 3.02 H new ATOM 218 N SER A 311 16.414 5.633 -15.677 1.00 11.14 N ATOM 219 CA SER A 311 16.337 5.179 -17.016 1.00 22.54 C ATOM 220 C SER A 311 15.296 4.098 -17.040 1.00 32.23 C ATOM 221 O SER A 311 15.429 3.116 -17.763 1.00 4.30 O ATOM 222 CB SER A 311 17.690 4.582 -17.485 1.00 2.43 C ATOM 223 OG SER A 311 18.432 4.061 -16.351 1.00 54.22 O ATOM 0 H SER A 311 16.448 4.886 -14.983 1.00 11.14 H new ATOM 0 HA SER A 311 16.091 6.008 -17.679 1.00 22.54 H new ATOM 0 HB2 SER A 311 17.513 3.786 -18.209 1.00 2.43 H new ATOM 0 HB3 SER A 311 18.277 5.348 -17.991 1.00 2.43 H new ATOM 0 HG SER A 311 19.283 3.686 -16.661 1.00 54.22 H new ATOM 229 N CYS A 312 14.232 4.248 -16.237 1.00 60.44 N ATOM 230 CA CYS A 312 13.233 3.214 -16.182 1.00 23.43 C ATOM 231 C CYS A 312 11.926 3.841 -15.872 1.00 41.45 C ATOM 232 O CYS A 312 11.759 4.537 -14.831 1.00 72.14 O ATOM 233 CB CYS A 312 13.494 2.135 -15.102 1.00 35.42 C ATOM 234 SG CYS A 312 14.780 0.945 -15.586 1.00 32.40 S ATOM 0 H CYS A 312 14.059 5.056 -15.640 1.00 60.44 H new ATOM 0 HA CYS A 312 13.254 2.717 -17.152 1.00 23.43 H new ATOM 0 HB2 CYS A 312 13.789 2.622 -14.173 1.00 35.42 H new ATOM 0 HB3 CYS A 312 12.567 1.598 -14.901 1.00 35.42 H new ATOM 0 HG CYS A 312 15.433 1.405 -16.612 1.00 32.40 H new ATOM 240 N VAL A 313 10.965 3.598 -16.785 1.00 23.14 N ATOM 241 CA VAL A 313 9.620 4.014 -16.629 1.00 42.01 C ATOM 242 C VAL A 313 8.952 2.811 -16.056 1.00 22.21 C ATOM 243 O VAL A 313 9.127 1.702 -16.555 1.00 72.23 O ATOM 244 CB VAL A 313 8.944 4.342 -17.955 1.00 21.50 C ATOM 245 CG1 VAL A 313 7.626 5.101 -17.691 1.00 43.32 C ATOM 246 CG2 VAL A 313 9.925 5.148 -18.831 1.00 23.42 C ATOM 0 H VAL A 313 11.139 3.096 -17.656 1.00 23.14 H new ATOM 0 HA VAL A 313 9.561 4.917 -16.021 1.00 42.01 H new ATOM 0 HB VAL A 313 8.687 3.431 -18.495 1.00 21.50 H new ATOM 0 HG11 VAL A 313 7.144 5.335 -18.640 1.00 43.32 H new ATOM 0 HG12 VAL A 313 6.962 4.479 -17.090 1.00 43.32 H new ATOM 0 HG13 VAL A 313 7.840 6.026 -17.155 1.00 43.32 H new ATOM 0 HG21 VAL A 313 9.450 5.388 -19.783 1.00 23.42 H new ATOM 0 HG22 VAL A 313 10.197 6.071 -18.318 1.00 23.42 H new ATOM 0 HG23 VAL A 313 10.822 4.556 -19.012 1.00 23.42 H new ATOM 256 N PHE A 314 8.208 2.986 -14.987 1.00 53.34 N ATOM 257 CA PHE A 314 7.547 1.873 -14.380 1.00 71.45 C ATOM 258 C PHE A 314 6.182 1.832 -14.958 1.00 24.23 C ATOM 259 O PHE A 314 5.383 2.799 -14.784 1.00 41.12 O ATOM 260 CB PHE A 314 7.452 1.977 -12.845 1.00 11.23 C ATOM 261 CG PHE A 314 8.749 1.659 -12.127 1.00 73.15 C ATOM 262 CD1 PHE A 314 9.594 0.649 -12.585 1.00 13.03 C ATOM 263 CD2 PHE A 314 9.118 2.360 -10.995 1.00 54.02 C ATOM 264 CE1 PHE A 314 10.758 0.361 -11.927 1.00 25.54 C ATOM 265 CE2 PHE A 314 10.292 2.060 -10.344 1.00 54.21 C ATOM 266 CZ PHE A 314 11.105 1.061 -10.810 1.00 0.53 C ATOM 0 H PHE A 314 8.052 3.884 -14.529 1.00 53.34 H new ATOM 0 HA PHE A 314 8.121 0.969 -14.581 1.00 71.45 H new ATOM 0 HB2 PHE A 314 7.138 2.986 -12.578 1.00 11.23 H new ATOM 0 HB3 PHE A 314 6.676 1.298 -12.492 1.00 11.23 H new ATOM 0 HD1 PHE A 314 9.327 0.088 -13.468 1.00 13.03 H new ATOM 0 HD2 PHE A 314 8.481 3.147 -10.619 1.00 54.02 H new ATOM 0 HE1 PHE A 314 11.404 -0.423 -12.293 1.00 25.54 H new ATOM 0 HE2 PHE A 314 10.574 2.615 -9.461 1.00 54.21 H new ATOM 0 HZ PHE A 314 12.023 0.827 -10.291 1.00 0.53 H new ATOM 276 N LEU A 315 5.848 0.703 -15.654 1.00 41.41 N ATOM 277 CA LEU A 315 4.564 0.597 -16.259 1.00 40.44 C ATOM 278 C LEU A 315 3.643 0.251 -15.153 1.00 63.54 C ATOM 279 O LEU A 315 3.612 -0.883 -14.659 1.00 3.15 O ATOM 280 CB LEU A 315 4.501 -0.569 -17.291 1.00 75.44 C ATOM 281 CG LEU A 315 3.542 -0.348 -18.477 1.00 13.32 C ATOM 282 CD1 LEU A 315 3.862 -1.298 -19.644 1.00 22.15 C ATOM 283 CD2 LEU A 315 2.061 -0.443 -18.063 1.00 54.14 C ATOM 0 H LEU A 315 6.459 -0.103 -15.785 1.00 41.41 H new ATOM 0 HA LEU A 315 4.320 1.523 -16.779 1.00 40.44 H new ATOM 0 HB2 LEU A 315 5.504 -0.740 -17.683 1.00 75.44 H new ATOM 0 HB3 LEU A 315 4.203 -1.478 -16.769 1.00 75.44 H new ATOM 0 HG LEU A 315 3.704 0.672 -18.824 1.00 13.32 H new ATOM 0 HD11 LEU A 315 3.167 -1.115 -20.463 1.00 22.15 H new ATOM 0 HD12 LEU A 315 4.882 -1.122 -19.987 1.00 22.15 H new ATOM 0 HD13 LEU A 315 3.765 -2.331 -19.310 1.00 22.15 H new ATOM 0 HD21 LEU A 315 1.428 -0.280 -18.935 1.00 54.14 H new ATOM 0 HD22 LEU A 315 1.861 -1.432 -17.650 1.00 54.14 H new ATOM 0 HD23 LEU A 315 1.844 0.315 -17.310 1.00 54.14 H new ATOM 295 N GLU A 316 3.020 1.264 -14.638 1.00 75.43 N ATOM 296 CA GLU A 316 1.938 1.143 -13.769 1.00 15.30 C ATOM 297 C GLU A 316 1.074 2.285 -14.140 1.00 13.31 C ATOM 298 O GLU A 316 -0.027 2.181 -14.646 1.00 42.02 O ATOM 299 CB GLU A 316 2.306 1.170 -12.269 1.00 32.43 C ATOM 300 CG GLU A 316 3.827 1.262 -12.011 1.00 3.53 C ATOM 301 CD GLU A 316 4.062 1.680 -10.585 1.00 41.11 C ATOM 302 OE1 GLU A 316 4.872 1.065 -9.913 1.00 20.13 O ATOM 303 OE2 GLU A 316 3.484 2.729 -10.170 1.00 71.34 O ATOM 0 H GLU A 316 3.278 2.231 -14.833 1.00 75.43 H new ATOM 0 HA GLU A 316 1.459 0.170 -13.876 1.00 15.30 H new ATOM 0 HB2 GLU A 316 1.813 2.020 -11.797 1.00 32.43 H new ATOM 0 HB3 GLU A 316 1.918 0.271 -11.791 1.00 32.43 H new ATOM 0 HG2 GLU A 316 4.299 0.299 -12.203 1.00 3.53 H new ATOM 0 HG3 GLU A 316 4.281 1.981 -12.693 1.00 3.53 H new ATOM 310 N CYS A 317 1.712 3.445 -13.866 1.00 53.42 N ATOM 311 CA CYS A 317 1.153 4.780 -13.902 1.00 43.05 C ATOM 312 C CYS A 317 1.960 5.606 -14.903 1.00 2.30 C ATOM 313 O CYS A 317 1.541 6.687 -15.287 1.00 52.42 O ATOM 314 CB CYS A 317 1.395 5.451 -12.519 1.00 31.35 C ATOM 315 SG CYS A 317 3.061 4.905 -11.928 1.00 24.30 S ATOM 0 H CYS A 317 2.696 3.454 -13.598 1.00 53.42 H new ATOM 0 HA CYS A 317 0.095 4.731 -14.158 1.00 43.05 H new ATOM 0 HB2 CYS A 317 1.355 6.537 -12.606 1.00 31.35 H new ATOM 0 HB3 CYS A 317 0.621 5.159 -11.809 1.00 31.35 H new ATOM 320 N GLY A 318 3.171 5.118 -15.340 1.00 52.45 N ATOM 321 CA GLY A 318 3.980 5.919 -16.249 1.00 33.10 C ATOM 322 C GLY A 318 4.943 6.792 -15.491 1.00 72.43 C ATOM 323 O GLY A 318 5.427 7.771 -16.029 1.00 4.22 O ATOM 0 H GLY A 318 3.569 4.216 -15.078 1.00 52.45 H new ATOM 0 HA2 GLY A 318 4.532 5.264 -16.923 1.00 33.10 H new ATOM 0 HA3 GLY A 318 3.331 6.539 -16.867 1.00 33.10 H new ATOM 327 N HIS A 319 5.266 6.464 -14.215 1.00 34.30 N ATOM 328 CA HIS A 319 6.230 7.289 -13.470 1.00 21.20 C ATOM 329 C HIS A 319 7.594 6.817 -13.913 1.00 62.21 C ATOM 330 O HIS A 319 7.820 5.608 -14.002 1.00 54.24 O ATOM 331 CB HIS A 319 6.145 7.119 -11.914 1.00 11.44 C ATOM 332 CG HIS A 319 5.346 8.202 -11.165 1.00 55.21 C ATOM 333 ND1 HIS A 319 4.464 7.841 -10.132 1.00 71.11 N ATOM 334 CD2 HIS A 319 5.337 9.557 -11.331 1.00 41.04 C ATOM 335 CE1 HIS A 319 3.947 8.977 -9.714 1.00 32.43 C ATOM 336 NE2 HIS A 319 4.440 10.046 -10.399 1.00 24.34 N ATOM 0 H HIS A 319 4.888 5.667 -13.704 1.00 34.30 H new ATOM 0 HA HIS A 319 6.022 8.339 -13.676 1.00 21.20 H new ATOM 0 HB2 HIS A 319 5.698 6.149 -11.697 1.00 11.44 H new ATOM 0 HB3 HIS A 319 7.159 7.099 -11.513 1.00 11.44 H new ATOM 0 HD2 HIS A 319 5.912 10.129 -12.044 1.00 41.04 H new ATOM 0 HE1 HIS A 319 3.218 9.053 -8.921 1.00 32.43 H new ATOM 0 HE2 HIS A 319 4.194 11.025 -10.252 1.00 24.34 H new ATOM 344 N VAL A 320 8.535 7.747 -14.114 1.00 23.20 N ATOM 345 CA VAL A 320 9.884 7.392 -14.510 1.00 11.20 C ATOM 346 C VAL A 320 10.655 7.767 -13.315 1.00 73.52 C ATOM 347 O VAL A 320 10.606 8.930 -12.905 1.00 5.12 O ATOM 348 CB VAL A 320 10.412 8.192 -15.699 1.00 73.32 C ATOM 349 CG1 VAL A 320 11.685 7.519 -16.241 1.00 52.12 C ATOM 350 CG2 VAL A 320 9.307 8.294 -16.768 1.00 42.11 C ATOM 0 H VAL A 320 8.377 8.749 -14.006 1.00 23.20 H new ATOM 0 HA VAL A 320 9.945 6.350 -14.823 1.00 11.20 H new ATOM 0 HB VAL A 320 10.678 9.205 -15.396 1.00 73.32 H new ATOM 0 HG11 VAL A 320 12.064 8.088 -17.090 1.00 52.12 H new ATOM 0 HG12 VAL A 320 12.442 7.488 -15.457 1.00 52.12 H new ATOM 0 HG13 VAL A 320 11.452 6.503 -16.560 1.00 52.12 H new ATOM 0 HG21 VAL A 320 9.677 8.864 -17.620 1.00 42.11 H new ATOM 0 HG22 VAL A 320 9.024 7.294 -17.096 1.00 42.11 H new ATOM 0 HG23 VAL A 320 8.437 8.797 -16.345 1.00 42.11 H new ATOM 360 N CYS A 321 11.329 6.807 -12.646 1.00 65.43 N ATOM 361 CA CYS A 321 11.962 7.211 -11.406 1.00 0.22 C ATOM 362 C CYS A 321 13.143 6.348 -11.051 1.00 51.53 C ATOM 363 O CYS A 321 14.001 6.776 -10.257 1.00 51.33 O ATOM 364 CB CYS A 321 10.973 7.204 -10.209 1.00 24.13 C ATOM 365 SG CYS A 321 9.514 6.125 -10.481 1.00 22.10 S ATOM 0 H CYS A 321 11.437 5.832 -12.924 1.00 65.43 H new ATOM 0 HA CYS A 321 12.306 8.230 -11.586 1.00 0.22 H new ATOM 0 HB2 CYS A 321 11.499 6.873 -9.314 1.00 24.13 H new ATOM 0 HB3 CYS A 321 10.633 8.223 -10.021 1.00 24.13 H new ATOM 0 HG CYS A 321 9.902 4.888 -10.583 1.00 22.10 H new ATOM 371 N SER A 322 13.268 5.128 -11.603 1.00 34.11 N ATOM 372 CA SER A 322 14.335 4.266 -11.149 1.00 22.42 C ATOM 373 C SER A 322 15.314 4.081 -12.247 1.00 62.14 C ATOM 374 O SER A 322 15.156 4.581 -13.326 1.00 5.32 O ATOM 375 CB SER A 322 13.884 2.885 -10.618 1.00 51.01 C ATOM 376 OG SER A 322 14.867 2.365 -9.690 1.00 44.43 O ATOM 0 H SER A 322 12.666 4.743 -12.331 1.00 34.11 H new ATOM 0 HA SER A 322 14.780 4.773 -10.293 1.00 22.42 H new ATOM 0 HB2 SER A 322 12.917 2.975 -10.123 1.00 51.01 H new ATOM 0 HB3 SER A 322 13.754 2.192 -11.449 1.00 51.01 H new ATOM 0 HG SER A 322 14.573 1.491 -9.357 1.00 44.43 H new ATOM 382 N CYS A 323 16.380 3.345 -11.933 1.00 5.25 N ATOM 383 CA CYS A 323 17.454 3.099 -12.847 1.00 1.21 C ATOM 384 C CYS A 323 17.508 1.619 -12.879 1.00 1.33 C ATOM 385 O CYS A 323 17.197 0.996 -11.851 1.00 5.33 O ATOM 386 CB CYS A 323 18.849 3.750 -12.411 1.00 11.13 C ATOM 387 SG CYS A 323 19.806 2.883 -11.095 1.00 60.31 S ATOM 0 H CYS A 323 16.507 2.905 -11.022 1.00 5.25 H new ATOM 0 HA CYS A 323 17.281 3.559 -13.820 1.00 1.21 H new ATOM 0 HB2 CYS A 323 19.480 3.822 -13.297 1.00 11.13 H new ATOM 0 HB3 CYS A 323 18.656 4.768 -12.074 1.00 11.13 H new ATOM 392 N THR A 324 17.879 1.031 -14.027 1.00 73.12 N ATOM 393 CA THR A 324 17.833 -0.414 -14.253 1.00 14.10 C ATOM 394 C THR A 324 18.512 -1.170 -13.144 1.00 0.50 C ATOM 395 O THR A 324 17.938 -2.092 -12.579 1.00 11.40 O ATOM 396 CB THR A 324 18.475 -0.817 -15.572 1.00 24.21 C ATOM 397 OG1 THR A 324 18.644 0.334 -16.417 1.00 40.33 O ATOM 398 CG2 THR A 324 17.570 -1.850 -16.255 1.00 22.34 C ATOM 0 H THR A 324 18.223 1.556 -14.831 1.00 73.12 H new ATOM 0 HA THR A 324 16.774 -0.671 -14.282 1.00 14.10 H new ATOM 0 HB THR A 324 19.459 -1.248 -15.389 1.00 24.21 H new ATOM 0 HG1 THR A 324 19.060 0.062 -17.262 1.00 40.33 H new ATOM 0 HG21 THR A 324 18.014 -2.152 -17.204 1.00 22.34 H new ATOM 0 HG22 THR A 324 17.463 -2.723 -15.611 1.00 22.34 H new ATOM 0 HG23 THR A 324 16.589 -1.411 -16.437 1.00 22.34 H new ATOM 406 N GLU A 325 19.729 -0.751 -12.776 1.00 32.31 N ATOM 407 CA GLU A 325 20.516 -1.482 -11.814 1.00 3.13 C ATOM 408 C GLU A 325 19.865 -1.438 -10.448 1.00 73.11 C ATOM 409 O GLU A 325 20.002 -2.356 -9.680 1.00 53.33 O ATOM 410 CB GLU A 325 21.949 -0.959 -11.720 1.00 13.20 C ATOM 411 CG GLU A 325 22.719 -1.127 -13.056 1.00 20.24 C ATOM 412 CD GLU A 325 24.167 -0.697 -12.868 1.00 23.20 C ATOM 413 OE1 GLU A 325 24.598 -0.543 -11.692 1.00 0.43 O ATOM 414 OE2 GLU A 325 24.881 -0.528 -13.902 1.00 1.21 O ATOM 0 H GLU A 325 20.177 0.091 -13.137 1.00 32.31 H new ATOM 0 HA GLU A 325 20.561 -2.514 -12.163 1.00 3.13 H new ATOM 0 HB2 GLU A 325 21.933 0.095 -11.441 1.00 13.20 H new ATOM 0 HB3 GLU A 325 22.477 -1.490 -10.928 1.00 13.20 H new ATOM 0 HG2 GLU A 325 22.677 -2.166 -13.383 1.00 20.24 H new ATOM 0 HG3 GLU A 325 22.249 -0.528 -13.836 1.00 20.24 H new ATOM 421 N CYS A 326 19.118 -0.355 -10.138 1.00 11.31 N ATOM 422 CA CYS A 326 18.441 -0.260 -8.826 1.00 73.35 C ATOM 423 C CYS A 326 17.385 -1.325 -8.791 1.00 74.41 C ATOM 424 O CYS A 326 17.238 -2.026 -7.804 1.00 34.23 O ATOM 425 CB CYS A 326 17.699 1.096 -8.568 1.00 12.13 C ATOM 426 SG CYS A 326 18.590 2.266 -7.496 1.00 12.13 S ATOM 0 H CYS A 326 18.971 0.442 -10.757 1.00 11.31 H new ATOM 0 HA CYS A 326 19.220 -0.359 -8.070 1.00 73.35 H new ATOM 0 HB2 CYS A 326 17.509 1.577 -9.527 1.00 12.13 H new ATOM 0 HB3 CYS A 326 16.728 0.883 -8.120 1.00 12.13 H new ATOM 431 N TYR A 327 16.626 -1.440 -9.903 1.00 1.14 N ATOM 432 CA TYR A 327 15.516 -2.357 -9.969 1.00 53.51 C ATOM 433 C TYR A 327 16.054 -3.768 -9.902 1.00 40.03 C ATOM 434 O TYR A 327 15.870 -4.470 -8.908 1.00 65.21 O ATOM 435 CB TYR A 327 14.703 -2.186 -11.302 1.00 2.03 C ATOM 436 CG TYR A 327 13.427 -2.988 -11.411 1.00 15.30 C ATOM 437 CD1 TYR A 327 13.371 -4.124 -12.196 1.00 15.14 C ATOM 438 CD2 TYR A 327 12.292 -2.597 -10.737 1.00 22.40 C ATOM 439 CE1 TYR A 327 12.204 -4.848 -12.297 1.00 25.31 C ATOM 440 CE2 TYR A 327 11.131 -3.322 -10.839 1.00 42.42 C ATOM 441 CZ TYR A 327 11.083 -4.443 -11.614 1.00 12.12 C ATOM 442 OH TYR A 327 9.878 -5.181 -11.708 1.00 32.23 O ATOM 0 H TYR A 327 16.779 -0.901 -10.755 1.00 1.14 H new ATOM 0 HA TYR A 327 14.846 -2.150 -9.134 1.00 53.51 H new ATOM 0 HB2 TYR A 327 14.456 -1.131 -11.420 1.00 2.03 H new ATOM 0 HB3 TYR A 327 15.351 -2.457 -12.136 1.00 2.03 H new ATOM 0 HD1 TYR A 327 14.250 -4.447 -12.735 1.00 15.14 H new ATOM 0 HD2 TYR A 327 12.315 -1.710 -10.121 1.00 22.40 H new ATOM 0 HE1 TYR A 327 12.170 -5.734 -12.913 1.00 25.31 H new ATOM 0 HE2 TYR A 327 10.250 -3.003 -10.302 1.00 42.42 H new ATOM 0 HH TYR A 327 9.188 -4.752 -11.160 1.00 32.23 H new ATOM 452 N ARG A 328 16.881 -4.140 -10.914 1.00 14.23 N ATOM 453 CA ARG A 328 17.292 -5.522 -11.096 1.00 1.44 C ATOM 454 C ARG A 328 18.110 -6.011 -9.932 1.00 2.01 C ATOM 455 O ARG A 328 18.169 -7.213 -9.664 1.00 33.14 O ATOM 456 CB ARG A 328 18.062 -5.787 -12.413 1.00 60.12 C ATOM 457 CG ARG A 328 19.372 -5.006 -12.562 1.00 4.13 C ATOM 458 CD ARG A 328 20.578 -5.924 -12.730 1.00 42.02 C ATOM 459 NE ARG A 328 21.810 -5.077 -12.873 1.00 74.14 N ATOM 460 CZ ARG A 328 22.619 -4.831 -11.790 1.00 61.41 C ATOM 461 NH1 ARG A 328 22.222 -5.212 -10.541 1.00 40.03 N ATOM 462 NH2 ARG A 328 23.812 -4.185 -11.960 1.00 74.14 N ATOM 0 H ARG A 328 17.264 -3.493 -11.603 1.00 14.23 H new ATOM 0 HA ARG A 328 16.359 -6.082 -11.156 1.00 1.44 H new ATOM 0 HB2 ARG A 328 18.281 -6.853 -12.481 1.00 60.12 H new ATOM 0 HB3 ARG A 328 17.412 -5.542 -13.253 1.00 60.12 H new ATOM 0 HG2 ARG A 328 19.301 -4.342 -13.424 1.00 4.13 H new ATOM 0 HG3 ARG A 328 19.518 -4.375 -11.685 1.00 4.13 H new ATOM 0 HD2 ARG A 328 20.672 -6.586 -11.869 1.00 42.02 H new ATOM 0 HD3 ARG A 328 20.451 -6.558 -13.607 1.00 42.02 H new ATOM 0 HE ARG A 328 22.048 -4.681 -13.782 1.00 74.14 H new ATOM 0 HH11 ARG A 328 21.325 -5.679 -10.412 1.00 40.03 H new ATOM 0 HH12 ARG A 328 22.823 -5.029 -9.737 1.00 40.03 H new ATOM 0 HH21 ARG A 328 24.102 -3.886 -12.891 1.00 74.14 H new ATOM 0 HH22 ARG A 328 24.412 -4.003 -11.156 1.00 74.14 H new ATOM 476 N ALA A 329 18.759 -5.093 -9.213 1.00 34.12 N ATOM 477 CA ALA A 329 19.549 -5.485 -8.079 1.00 32.33 C ATOM 478 C ALA A 329 18.625 -5.835 -6.952 1.00 20.24 C ATOM 479 O ALA A 329 18.686 -6.937 -6.424 1.00 24.43 O ATOM 480 CB ALA A 329 20.480 -4.372 -7.562 1.00 35.35 C ATOM 0 H ALA A 329 18.745 -4.091 -9.404 1.00 34.12 H new ATOM 0 HA ALA A 329 20.166 -6.322 -8.406 1.00 32.33 H new ATOM 0 HB1 ALA A 329 21.045 -4.739 -6.705 1.00 35.35 H new ATOM 0 HB2 ALA A 329 21.170 -4.078 -8.353 1.00 35.35 H new ATOM 0 HB3 ALA A 329 19.884 -3.510 -7.261 1.00 35.35 H new ATOM 486 N LEU A 330 17.760 -4.882 -6.582 1.00 55.31 N ATOM 487 CA LEU A 330 16.918 -4.984 -5.387 1.00 12.04 C ATOM 488 C LEU A 330 15.782 -5.936 -5.654 1.00 34.21 C ATOM 489 O LEU A 330 14.928 -5.628 -6.460 1.00 64.45 O ATOM 490 CB LEU A 330 16.308 -3.590 -5.038 1.00 2.21 C ATOM 491 CG LEU A 330 15.371 -3.539 -3.812 1.00 11.05 C ATOM 492 CD1 LEU A 330 15.892 -4.352 -2.615 1.00 21.32 C ATOM 493 CD2 LEU A 330 15.044 -2.090 -3.405 1.00 35.24 C ATOM 0 H LEU A 330 17.625 -4.017 -7.105 1.00 55.31 H new ATOM 0 HA LEU A 330 17.532 -5.340 -4.559 1.00 12.04 H new ATOM 0 HB2 LEU A 330 17.127 -2.890 -4.871 1.00 2.21 H new ATOM 0 HB3 LEU A 330 15.755 -3.232 -5.906 1.00 2.21 H new ATOM 0 HG LEU A 330 14.444 -4.018 -4.126 1.00 11.05 H new ATOM 0 HD11 LEU A 330 15.187 -4.274 -1.788 1.00 21.32 H new ATOM 0 HD12 LEU A 330 15.998 -5.398 -2.904 1.00 21.32 H new ATOM 0 HD13 LEU A 330 16.861 -3.961 -2.304 1.00 21.32 H new ATOM 0 HD21 LEU A 330 14.382 -2.096 -2.539 1.00 35.24 H new ATOM 0 HD22 LEU A 330 15.966 -1.566 -3.154 1.00 35.24 H new ATOM 0 HD23 LEU A 330 14.552 -1.581 -4.234 1.00 35.24 H new ATOM 505 N PRO A 331 15.731 -7.127 -5.031 1.00 43.45 N ATOM 506 CA PRO A 331 14.552 -7.926 -5.201 1.00 14.23 C ATOM 507 C PRO A 331 13.592 -7.766 -4.052 1.00 32.41 C ATOM 508 O PRO A 331 13.869 -8.136 -2.906 1.00 72.24 O ATOM 509 CB PRO A 331 15.136 -9.351 -5.191 1.00 20.10 C ATOM 510 CG PRO A 331 16.439 -9.249 -4.353 1.00 42.23 C ATOM 511 CD PRO A 331 16.712 -7.745 -4.156 1.00 11.40 C ATOM 0 HA PRO A 331 13.985 -7.663 -6.094 1.00 14.23 H new ATOM 0 HB2 PRO A 331 14.437 -10.060 -4.748 1.00 20.10 H new ATOM 0 HB3 PRO A 331 15.344 -9.699 -6.203 1.00 20.10 H new ATOM 0 HG2 PRO A 331 16.324 -9.752 -3.393 1.00 42.23 H new ATOM 0 HG3 PRO A 331 17.271 -9.731 -4.867 1.00 42.23 H new ATOM 0 HD2 PRO A 331 16.577 -7.441 -3.118 1.00 11.40 H new ATOM 0 HD3 PRO A 331 17.731 -7.478 -4.437 1.00 11.40 H new ATOM 519 N GLU A 332 12.461 -7.199 -4.353 1.00 4.04 N ATOM 520 CA GLU A 332 11.310 -7.168 -3.511 1.00 11.33 C ATOM 521 C GLU A 332 10.256 -7.113 -4.529 1.00 1.43 C ATOM 522 O GLU A 332 10.574 -7.061 -5.718 1.00 51.41 O ATOM 523 CB GLU A 332 11.218 -5.907 -2.594 1.00 42.54 C ATOM 524 CG GLU A 332 12.204 -4.798 -2.966 1.00 31.41 C ATOM 525 CD GLU A 332 11.754 -3.496 -2.320 1.00 12.14 C ATOM 526 OE1 GLU A 332 10.678 -2.974 -2.726 1.00 22.30 O ATOM 527 OE2 GLU A 332 12.483 -2.996 -1.413 1.00 13.13 O ATOM 0 H GLU A 332 12.313 -6.721 -5.242 1.00 4.04 H new ATOM 0 HA GLU A 332 11.280 -7.999 -2.807 1.00 11.33 H new ATOM 0 HB2 GLU A 332 10.204 -5.509 -2.640 1.00 42.54 H new ATOM 0 HB3 GLU A 332 11.396 -6.207 -1.561 1.00 42.54 H new ATOM 0 HG2 GLU A 332 13.207 -5.058 -2.629 1.00 31.41 H new ATOM 0 HG3 GLU A 332 12.251 -4.684 -4.049 1.00 31.41 H new ATOM 534 N PRO A 333 9.000 -7.114 -4.164 1.00 43.41 N ATOM 535 CA PRO A 333 8.058 -6.543 -5.083 1.00 0.21 C ATOM 536 C PRO A 333 8.218 -5.059 -4.903 1.00 55.03 C ATOM 537 O PRO A 333 8.013 -4.542 -3.789 1.00 73.34 O ATOM 538 CB PRO A 333 6.679 -7.013 -4.587 1.00 53.41 C ATOM 539 CG PRO A 333 6.892 -7.461 -3.131 1.00 33.34 C ATOM 540 CD PRO A 333 8.402 -7.704 -2.955 1.00 61.22 C ATOM 0 HA PRO A 333 8.187 -6.817 -6.130 1.00 0.21 H new ATOM 0 HB2 PRO A 333 5.946 -6.208 -4.646 1.00 53.41 H new ATOM 0 HB3 PRO A 333 6.302 -7.833 -5.198 1.00 53.41 H new ATOM 0 HG2 PRO A 333 6.540 -6.698 -2.437 1.00 33.34 H new ATOM 0 HG3 PRO A 333 6.327 -8.369 -2.920 1.00 33.34 H new ATOM 0 HD2 PRO A 333 8.780 -7.229 -2.050 1.00 61.22 H new ATOM 0 HD3 PRO A 333 8.629 -8.767 -2.875 1.00 61.22 H new ATOM 548 N LYS A 334 8.585 -4.337 -5.961 1.00 63.34 N ATOM 549 CA LYS A 334 8.908 -2.957 -5.789 1.00 42.33 C ATOM 550 C LYS A 334 7.699 -2.161 -6.022 1.00 74.32 C ATOM 551 O LYS A 334 6.850 -2.498 -6.865 1.00 41.42 O ATOM 552 CB LYS A 334 10.019 -2.464 -6.730 1.00 1.23 C ATOM 553 CG LYS A 334 11.418 -2.814 -6.237 1.00 33.31 C ATOM 554 CD LYS A 334 12.267 -3.479 -7.300 1.00 65.11 C ATOM 555 CE LYS A 334 12.027 -4.976 -7.406 1.00 3.41 C ATOM 556 NZ LYS A 334 12.774 -5.540 -8.543 1.00 42.02 N ATOM 0 H LYS A 334 8.659 -4.690 -6.915 1.00 63.34 H new ATOM 0 HA LYS A 334 9.282 -2.840 -4.772 1.00 42.33 H new ATOM 0 HB2 LYS A 334 9.869 -2.898 -7.718 1.00 1.23 H new ATOM 0 HB3 LYS A 334 9.939 -1.383 -6.842 1.00 1.23 H new ATOM 0 HG2 LYS A 334 11.916 -1.906 -5.897 1.00 33.31 H new ATOM 0 HG3 LYS A 334 11.339 -3.476 -5.375 1.00 33.31 H new ATOM 0 HD2 LYS A 334 12.060 -3.015 -8.264 1.00 65.11 H new ATOM 0 HD3 LYS A 334 13.320 -3.301 -7.080 1.00 65.11 H new ATOM 0 HE2 LYS A 334 12.335 -5.466 -6.482 1.00 3.41 H new ATOM 0 HE3 LYS A 334 10.962 -5.171 -7.530 1.00 3.41 H new ATOM 0 HZ1 LYS A 334 12.357 -6.453 -8.814 1.00 42.02 H new ATOM 0 HZ2 LYS A 334 12.726 -4.885 -9.349 1.00 42.02 H new ATOM 0 HZ3 LYS A 334 13.768 -5.681 -8.270 1.00 42.02 H new ATOM 570 N LYS A 335 7.594 -1.090 -5.254 1.00 53.21 N ATOM 571 CA LYS A 335 6.511 -0.193 -5.364 1.00 2.12 C ATOM 572 C LYS A 335 7.058 0.996 -6.061 1.00 32.14 C ATOM 573 O LYS A 335 8.262 1.224 -6.080 1.00 5.11 O ATOM 574 CB LYS A 335 5.948 0.267 -3.993 1.00 11.43 C ATOM 575 CG LYS A 335 5.559 -0.897 -3.059 1.00 64.11 C ATOM 576 CD LYS A 335 4.249 -1.600 -3.460 1.00 32.13 C ATOM 577 CE LYS A 335 4.466 -2.982 -4.085 1.00 3.03 C ATOM 578 NZ LYS A 335 5.138 -3.890 -3.127 1.00 3.33 N ATOM 0 H LYS A 335 8.275 -0.837 -4.538 1.00 53.21 H new ATOM 0 HA LYS A 335 5.689 -0.684 -5.886 1.00 2.12 H new ATOM 0 HB2 LYS A 335 6.693 0.888 -3.494 1.00 11.43 H new ATOM 0 HB3 LYS A 335 5.072 0.894 -4.162 1.00 11.43 H new ATOM 0 HG2 LYS A 335 6.366 -1.629 -3.050 1.00 64.11 H new ATOM 0 HG3 LYS A 335 5.461 -0.518 -2.042 1.00 64.11 H new ATOM 0 HD2 LYS A 335 3.616 -1.704 -2.578 1.00 32.13 H new ATOM 0 HD3 LYS A 335 3.709 -0.970 -4.167 1.00 32.13 H new ATOM 0 HE2 LYS A 335 3.507 -3.406 -4.384 1.00 3.03 H new ATOM 0 HE3 LYS A 335 5.069 -2.888 -4.988 1.00 3.03 H new ATOM 0 HZ1 LYS A 335 6.115 -4.062 -3.439 1.00 3.33 H new ATOM 0 HZ2 LYS A 335 5.148 -3.453 -2.183 1.00 3.33 H new ATOM 0 HZ3 LYS A 335 4.624 -4.793 -3.085 1.00 3.33 H new ATOM 592 N CYS A 336 6.172 1.747 -6.709 1.00 61.41 N ATOM 593 CA CYS A 336 6.518 2.998 -7.352 1.00 71.43 C ATOM 594 C CYS A 336 7.051 3.901 -6.260 1.00 61.25 C ATOM 595 O CYS A 336 6.313 4.252 -5.390 1.00 34.14 O ATOM 596 CB CYS A 336 5.272 3.693 -7.954 1.00 32.33 C ATOM 597 SG CYS A 336 5.655 4.744 -9.397 1.00 64.11 S ATOM 0 H CYS A 336 5.187 1.497 -6.800 1.00 61.41 H new ATOM 0 HA CYS A 336 7.232 2.810 -8.154 1.00 71.43 H new ATOM 0 HB2 CYS A 336 4.548 2.933 -8.249 1.00 32.33 H new ATOM 0 HB3 CYS A 336 4.798 4.303 -7.185 1.00 32.33 H new ATOM 602 N PRO A 337 8.284 4.344 -6.341 1.00 34.42 N ATOM 603 CA PRO A 337 8.875 5.165 -5.267 1.00 21.33 C ATOM 604 C PRO A 337 8.161 6.471 -5.026 1.00 73.22 C ATOM 605 O PRO A 337 8.278 7.058 -3.972 1.00 63.54 O ATOM 606 CB PRO A 337 10.326 5.419 -5.716 1.00 45.24 C ATOM 607 CG PRO A 337 10.342 5.099 -7.201 1.00 3.53 C ATOM 608 CD PRO A 337 9.224 4.090 -7.434 1.00 43.01 C ATOM 0 HA PRO A 337 8.800 4.639 -4.315 1.00 21.33 H new ATOM 0 HB2 PRO A 337 10.621 6.452 -5.532 1.00 45.24 H new ATOM 0 HB3 PRO A 337 11.025 4.786 -5.169 1.00 45.24 H new ATOM 0 HG2 PRO A 337 10.183 5.999 -7.794 1.00 3.53 H new ATOM 0 HG3 PRO A 337 11.306 4.687 -7.499 1.00 3.53 H new ATOM 0 HD2 PRO A 337 8.753 4.233 -8.407 1.00 43.01 H new ATOM 0 HD3 PRO A 337 9.598 3.067 -7.409 1.00 43.01 H new ATOM 616 N ILE A 338 7.399 6.942 -6.032 1.00 63.43 N ATOM 617 CA ILE A 338 6.727 8.207 -5.915 1.00 31.43 C ATOM 618 C ILE A 338 5.312 7.987 -5.429 1.00 42.52 C ATOM 619 O ILE A 338 4.811 8.757 -4.633 1.00 3.14 O ATOM 620 CB ILE A 338 6.644 8.970 -7.241 1.00 53.34 C ATOM 621 CG1 ILE A 338 7.813 8.627 -8.183 1.00 0.02 C ATOM 622 CG2 ILE A 338 6.609 10.470 -6.935 1.00 15.10 C ATOM 623 CD1 ILE A 338 9.138 9.217 -7.722 1.00 54.23 C ATOM 0 H ILE A 338 7.248 6.457 -6.916 1.00 63.43 H new ATOM 0 HA ILE A 338 7.313 8.799 -5.213 1.00 31.43 H new ATOM 0 HB ILE A 338 5.735 8.672 -7.763 1.00 53.34 H new ATOM 0 HG12 ILE A 338 7.909 7.544 -8.255 1.00 0.02 H new ATOM 0 HG13 ILE A 338 7.586 8.994 -9.184 1.00 0.02 H new ATOM 0 HG21 ILE A 338 6.550 11.030 -7.868 1.00 15.10 H new ATOM 0 HG22 ILE A 338 5.738 10.696 -6.320 1.00 15.10 H new ATOM 0 HG23 ILE A 338 7.515 10.753 -6.399 1.00 15.10 H new ATOM 0 HD11 ILE A 338 9.923 8.941 -8.426 1.00 54.23 H new ATOM 0 HD12 ILE A 338 9.056 10.303 -7.676 1.00 54.23 H new ATOM 0 HD13 ILE A 338 9.384 8.830 -6.733 1.00 54.23 H new ATOM 635 N CYS A 339 4.642 6.892 -5.880 1.00 23.50 N ATOM 636 CA CYS A 339 3.194 6.802 -5.639 1.00 62.11 C ATOM 637 C CYS A 339 2.838 5.539 -4.882 1.00 22.20 C ATOM 638 O CYS A 339 1.690 5.313 -4.575 1.00 44.02 O ATOM 639 CB CYS A 339 2.349 6.905 -6.958 1.00 74.34 C ATOM 640 SG CYS A 339 2.360 5.387 -7.971 1.00 23.45 S ATOM 0 H CYS A 339 5.059 6.108 -6.382 1.00 23.50 H new ATOM 0 HA CYS A 339 2.936 7.664 -5.024 1.00 62.11 H new ATOM 0 HB2 CYS A 339 1.319 7.148 -6.699 1.00 74.34 H new ATOM 0 HB3 CYS A 339 2.730 7.732 -7.557 1.00 74.34 H new ATOM 645 N ARG A 340 3.824 4.667 -4.650 1.00 0.23 N ATOM 646 CA ARG A 340 3.662 3.446 -3.862 1.00 44.01 C ATOM 647 C ARG A 340 2.748 2.413 -4.525 1.00 41.33 C ATOM 648 O ARG A 340 2.368 1.450 -3.897 1.00 40.31 O ATOM 649 CB ARG A 340 3.267 3.662 -2.382 1.00 2.21 C ATOM 650 CG ARG A 340 4.233 4.601 -1.617 1.00 62.24 C ATOM 651 CD ARG A 340 5.732 4.352 -1.944 1.00 24.30 C ATOM 652 NE ARG A 340 6.582 4.958 -0.868 1.00 41.44 N ATOM 653 CZ ARG A 340 6.846 6.307 -0.835 1.00 5.34 C ATOM 654 NH1 ARG A 340 6.280 7.158 -1.749 1.00 52.12 N ATOM 655 NH2 ARG A 340 7.671 6.805 0.132 1.00 23.13 N ATOM 0 H ARG A 340 4.770 4.793 -5.010 1.00 0.23 H new ATOM 0 HA ARG A 340 4.672 3.038 -3.841 1.00 44.01 H new ATOM 0 HB2 ARG A 340 2.260 4.077 -2.339 1.00 2.21 H new ATOM 0 HB3 ARG A 340 3.236 2.696 -1.878 1.00 2.21 H new ATOM 0 HG2 ARG A 340 3.985 5.635 -1.855 1.00 62.24 H new ATOM 0 HG3 ARG A 340 4.077 4.474 -0.546 1.00 62.24 H new ATOM 0 HD2 ARG A 340 5.927 3.282 -2.018 1.00 24.30 H new ATOM 0 HD3 ARG A 340 5.983 4.789 -2.911 1.00 24.30 H new ATOM 0 HE ARG A 340 6.973 4.356 -0.144 1.00 41.44 H new ATOM 0 HH11 ARG A 340 5.653 6.793 -2.466 1.00 52.12 H new ATOM 0 HH12 ARG A 340 6.485 8.156 -1.712 1.00 52.12 H new ATOM 0 HH21 ARG A 340 8.085 6.178 0.821 1.00 23.13 H new ATOM 0 HH22 ARG A 340 7.873 7.804 0.165 1.00 23.13 H new ATOM 669 N GLN A 341 2.393 2.590 -5.820 1.00 53.15 N ATOM 670 CA GLN A 341 1.621 1.557 -6.534 1.00 53.13 C ATOM 671 C GLN A 341 2.595 0.473 -6.871 1.00 72.12 C ATOM 672 O GLN A 341 3.746 0.772 -7.152 1.00 65.32 O ATOM 673 CB GLN A 341 1.107 2.026 -7.903 1.00 23.21 C ATOM 674 CG GLN A 341 -0.113 2.938 -7.871 1.00 72.31 C ATOM 675 CD GLN A 341 -0.216 3.590 -9.255 1.00 1.15 C ATOM 676 OE1 GLN A 341 0.818 3.808 -9.934 1.00 63.43 O ATOM 677 NE2 GLN A 341 -1.430 3.923 -9.686 1.00 64.15 N ATOM 0 H GLN A 341 2.623 3.415 -6.374 1.00 53.15 H new ATOM 0 HA GLN A 341 0.780 1.275 -5.901 1.00 53.13 H new ATOM 0 HB2 GLN A 341 1.915 2.548 -8.415 1.00 23.21 H new ATOM 0 HB3 GLN A 341 0.866 1.147 -8.501 1.00 23.21 H new ATOM 0 HG2 GLN A 341 -1.015 2.369 -7.644 1.00 72.31 H new ATOM 0 HG3 GLN A 341 -0.009 3.695 -7.094 1.00 72.31 H new ATOM 0 HE21 GLN A 341 -2.247 3.730 -9.107 1.00 64.15 H new ATOM 0 HE22 GLN A 341 -1.543 4.371 -10.595 1.00 64.15 H new ATOM 686 N ALA A 342 2.143 -0.793 -6.860 1.00 72.33 N ATOM 687 CA ALA A 342 2.978 -1.932 -7.277 1.00 40.11 C ATOM 688 C ALA A 342 3.392 -1.737 -8.724 1.00 22.54 C ATOM 689 O ALA A 342 2.673 -1.106 -9.518 1.00 31.10 O ATOM 690 CB ALA A 342 2.263 -3.294 -7.176 1.00 13.42 C ATOM 0 H ALA A 342 1.202 -1.053 -6.566 1.00 72.33 H new ATOM 0 HA ALA A 342 3.830 -1.953 -6.597 1.00 40.11 H new ATOM 0 HB1 ALA A 342 2.940 -4.085 -7.499 1.00 13.42 H new ATOM 0 HB2 ALA A 342 1.964 -3.472 -6.143 1.00 13.42 H new ATOM 0 HB3 ALA A 342 1.379 -3.289 -7.814 1.00 13.42 H new ATOM 696 N ILE A 343 4.565 -2.276 -9.086 1.00 72.15 N ATOM 697 CA ILE A 343 5.067 -2.168 -10.435 1.00 61.45 C ATOM 698 C ILE A 343 4.545 -3.347 -11.215 1.00 71.34 C ATOM 699 O ILE A 343 4.635 -4.485 -10.776 1.00 40.31 O ATOM 700 CB ILE A 343 6.590 -2.138 -10.468 1.00 13.03 C ATOM 701 CG1 ILE A 343 7.104 -0.895 -9.730 1.00 23.30 C ATOM 702 CG2 ILE A 343 7.106 -2.178 -11.920 1.00 44.44 C ATOM 703 CD1 ILE A 343 8.559 -0.971 -9.389 1.00 45.33 C ATOM 0 H ILE A 343 5.175 -2.790 -8.450 1.00 72.15 H new ATOM 0 HA ILE A 343 4.726 -1.232 -10.877 1.00 61.45 H new ATOM 0 HB ILE A 343 6.972 -3.023 -9.959 1.00 13.03 H new ATOM 0 HG12 ILE A 343 6.928 -0.015 -10.348 1.00 23.30 H new ATOM 0 HG13 ILE A 343 6.529 -0.761 -8.814 1.00 23.30 H new ATOM 0 HG21 ILE A 343 8.196 -2.156 -11.920 1.00 44.44 H new ATOM 0 HG22 ILE A 343 6.762 -3.092 -12.403 1.00 44.44 H new ATOM 0 HG23 ILE A 343 6.726 -1.314 -12.465 1.00 44.44 H new ATOM 0 HD11 ILE A 343 8.859 -0.061 -8.869 1.00 45.33 H new ATOM 0 HD12 ILE A 343 8.737 -1.833 -8.746 1.00 45.33 H new ATOM 0 HD13 ILE A 343 9.142 -1.075 -10.304 1.00 45.33 H new ATOM 715 N THR A 344 3.982 -3.067 -12.406 1.00 34.40 N ATOM 716 CA THR A 344 3.424 -4.093 -13.240 1.00 43.12 C ATOM 717 C THR A 344 4.472 -4.442 -14.299 1.00 75.41 C ATOM 718 O THR A 344 4.599 -5.602 -14.721 1.00 13.44 O ATOM 719 CB THR A 344 2.114 -3.611 -13.874 1.00 21.25 C ATOM 720 OG1 THR A 344 1.036 -3.764 -12.948 1.00 55.15 O ATOM 721 CG2 THR A 344 1.805 -4.345 -15.185 1.00 63.24 C ATOM 0 H THR A 344 3.912 -2.126 -12.794 1.00 34.40 H new ATOM 0 HA THR A 344 3.181 -4.982 -12.658 1.00 43.12 H new ATOM 0 HB THR A 344 2.233 -2.555 -14.117 1.00 21.25 H new ATOM 0 HG1 THR A 344 0.204 -3.452 -13.361 1.00 55.15 H new ATOM 0 HG21 THR A 344 0.868 -3.972 -15.599 1.00 63.24 H new ATOM 0 HG22 THR A 344 2.611 -4.172 -15.898 1.00 63.24 H new ATOM 0 HG23 THR A 344 1.715 -5.414 -14.991 1.00 63.24 H new ATOM 729 N ARG A 345 5.286 -3.464 -14.702 1.00 24.51 N ATOM 730 CA ARG A 345 6.303 -3.736 -15.697 1.00 0.13 C ATOM 731 C ARG A 345 7.267 -2.629 -15.643 1.00 24.52 C ATOM 732 O ARG A 345 7.004 -1.613 -15.034 1.00 52.01 O ATOM 733 CB ARG A 345 5.762 -3.851 -17.148 1.00 40.52 C ATOM 734 CG ARG A 345 6.209 -5.125 -17.852 1.00 75.14 C ATOM 735 CD ARG A 345 5.530 -5.320 -19.207 1.00 64.11 C ATOM 736 NE ARG A 345 5.861 -6.692 -19.694 1.00 73.23 N ATOM 737 CZ ARG A 345 5.890 -6.979 -21.038 1.00 42.14 C ATOM 738 NH1 ARG A 345 5.567 -6.012 -21.965 1.00 41.43 N ATOM 739 NH2 ARG A 345 6.227 -8.240 -21.451 1.00 4.44 N ATOM 0 H ARG A 345 5.257 -2.503 -14.360 1.00 24.51 H new ATOM 0 HA ARG A 345 6.743 -4.705 -15.462 1.00 0.13 H new ATOM 0 HB2 ARG A 345 4.673 -3.817 -17.127 1.00 40.52 H new ATOM 0 HB3 ARG A 345 6.097 -2.988 -17.724 1.00 40.52 H new ATOM 0 HG2 ARG A 345 7.290 -5.097 -17.992 1.00 75.14 H new ATOM 0 HG3 ARG A 345 5.992 -5.982 -17.215 1.00 75.14 H new ATOM 0 HD2 ARG A 345 4.451 -5.198 -19.114 1.00 64.11 H new ATOM 0 HD3 ARG A 345 5.875 -4.569 -19.918 1.00 64.11 H new ATOM 0 HE ARG A 345 6.069 -7.428 -19.019 1.00 73.23 H new ATOM 0 HH11 ARG A 345 5.304 -5.076 -21.655 1.00 41.43 H new ATOM 0 HH12 ARG A 345 5.591 -6.232 -22.961 1.00 41.43 H new ATOM 0 HH21 ARG A 345 6.454 -8.958 -20.763 1.00 4.44 H new ATOM 0 HH22 ARG A 345 6.251 -8.461 -22.446 1.00 4.44 H new ATOM 753 N VAL A 346 8.438 -2.827 -16.253 1.00 34.30 N ATOM 754 CA VAL A 346 9.423 -1.798 -16.301 1.00 20.22 C ATOM 755 C VAL A 346 9.809 -1.628 -17.744 1.00 64.23 C ATOM 756 O VAL A 346 10.082 -2.595 -18.446 1.00 41.44 O ATOM 757 CB VAL A 346 10.651 -2.108 -15.438 1.00 22.53 C ATOM 758 CG1 VAL A 346 11.288 -3.461 -15.846 1.00 40.31 C ATOM 759 CG2 VAL A 346 11.640 -0.933 -15.500 1.00 44.52 C ATOM 0 H VAL A 346 8.706 -3.697 -16.714 1.00 34.30 H new ATOM 0 HA VAL A 346 9.007 -0.878 -15.889 1.00 20.22 H new ATOM 0 HB VAL A 346 10.347 -2.221 -14.397 1.00 22.53 H new ATOM 0 HG11 VAL A 346 12.157 -3.658 -15.219 1.00 40.31 H new ATOM 0 HG12 VAL A 346 10.559 -4.260 -15.716 1.00 40.31 H new ATOM 0 HG13 VAL A 346 11.597 -3.418 -16.890 1.00 40.31 H new ATOM 0 HG21 VAL A 346 12.511 -1.158 -14.885 1.00 44.52 H new ATOM 0 HG22 VAL A 346 11.955 -0.776 -16.532 1.00 44.52 H new ATOM 0 HG23 VAL A 346 11.156 -0.030 -15.127 1.00 44.52 H new ATOM 769 N ILE A 347 9.762 -0.378 -18.219 1.00 42.12 N ATOM 770 CA ILE A 347 10.159 -0.044 -19.557 1.00 60.23 C ATOM 771 C ILE A 347 11.462 0.712 -19.406 1.00 63.13 C ATOM 772 O ILE A 347 11.478 1.845 -18.914 1.00 53.02 O ATOM 773 CB ILE A 347 9.162 0.888 -20.252 1.00 15.40 C ATOM 774 CG1 ILE A 347 7.703 0.412 -20.050 1.00 12.44 C ATOM 775 CG2 ILE A 347 9.524 0.991 -21.744 1.00 1.03 C ATOM 776 CD1 ILE A 347 6.903 1.337 -19.153 1.00 60.32 C ATOM 0 H ILE A 347 9.444 0.421 -17.670 1.00 42.12 H new ATOM 0 HA ILE A 347 10.228 -0.952 -20.157 1.00 60.23 H new ATOM 0 HB ILE A 347 9.228 1.879 -19.802 1.00 15.40 H new ATOM 0 HG12 ILE A 347 7.212 0.339 -21.020 1.00 12.44 H new ATOM 0 HG13 ILE A 347 7.708 -0.589 -19.620 1.00 12.44 H new ATOM 0 HG21 ILE A 347 8.818 1.653 -22.245 1.00 1.03 H new ATOM 0 HG22 ILE A 347 10.533 1.391 -21.847 1.00 1.03 H new ATOM 0 HG23 ILE A 347 9.478 0.001 -22.199 1.00 1.03 H new ATOM 0 HD11 ILE A 347 5.888 0.953 -19.047 1.00 60.32 H new ATOM 0 HD12 ILE A 347 7.375 1.390 -18.172 1.00 60.32 H new ATOM 0 HD13 ILE A 347 6.870 2.333 -19.594 1.00 60.32 H new ATOM 788 N PRO A 348 12.578 0.099 -19.774 1.00 41.14 N ATOM 789 CA PRO A 348 13.857 0.775 -19.695 1.00 43.13 C ATOM 790 C PRO A 348 14.024 1.821 -20.761 1.00 35.30 C ATOM 791 O PRO A 348 13.473 1.704 -21.874 1.00 25.30 O ATOM 792 CB PRO A 348 14.911 -0.334 -19.835 1.00 53.14 C ATOM 793 CG PRO A 348 14.190 -1.479 -20.537 1.00 51.43 C ATOM 794 CD PRO A 348 12.697 -1.290 -20.256 1.00 51.21 C ATOM 0 HA PRO A 348 13.951 1.317 -18.754 1.00 43.13 H new ATOM 0 HB2 PRO A 348 15.768 0.007 -20.416 1.00 53.14 H new ATOM 0 HB3 PRO A 348 15.289 -0.644 -18.861 1.00 53.14 H new ATOM 0 HG2 PRO A 348 14.388 -1.463 -21.609 1.00 51.43 H new ATOM 0 HG3 PRO A 348 14.536 -2.443 -20.163 1.00 51.43 H new ATOM 0 HD2 PRO A 348 12.102 -1.449 -21.155 1.00 51.21 H new ATOM 0 HD3 PRO A 348 12.342 -2.000 -19.509 1.00 51.21 H new ATOM 802 N LEU A 349 14.812 2.847 -20.447 1.00 53.12 N ATOM 803 CA LEU A 349 15.048 3.926 -21.346 1.00 21.10 C ATOM 804 C LEU A 349 16.482 3.816 -21.705 1.00 60.53 C ATOM 805 O LEU A 349 17.357 4.184 -20.914 1.00 41.33 O ATOM 806 CB LEU A 349 14.827 5.318 -20.696 1.00 23.30 C ATOM 807 CG LEU A 349 13.358 5.613 -20.333 1.00 64.42 C ATOM 808 CD1 LEU A 349 13.192 6.959 -19.615 1.00 32.20 C ATOM 809 CD2 LEU A 349 12.410 5.487 -21.538 1.00 2.21 C ATOM 0 H LEU A 349 15.297 2.935 -19.554 1.00 53.12 H new ATOM 0 HA LEU A 349 14.360 3.858 -22.189 1.00 21.10 H new ATOM 0 HB2 LEU A 349 15.435 5.387 -19.794 1.00 23.30 H new ATOM 0 HB3 LEU A 349 15.183 6.088 -21.380 1.00 23.30 H new ATOM 0 HG LEU A 349 13.065 4.837 -19.626 1.00 64.42 H new ATOM 0 HD11 LEU A 349 12.139 7.119 -19.381 1.00 32.20 H new ATOM 0 HD12 LEU A 349 13.772 6.953 -18.692 1.00 32.20 H new ATOM 0 HD13 LEU A 349 13.547 7.762 -20.261 1.00 32.20 H new ATOM 0 HD21 LEU A 349 11.390 5.706 -21.223 1.00 2.21 H new ATOM 0 HD22 LEU A 349 12.710 6.193 -22.312 1.00 2.21 H new ATOM 0 HD23 LEU A 349 12.458 4.473 -21.934 1.00 2.21 H new ATOM 821 N TYR A 350 16.765 3.297 -22.909 1.00 0.44 N ATOM 822 CA TYR A 350 18.124 3.158 -23.356 1.00 72.32 C ATOM 823 C TYR A 350 18.416 4.422 -24.066 1.00 45.21 C ATOM 824 O TYR A 350 17.833 4.700 -25.119 1.00 60.21 O ATOM 825 CB TYR A 350 18.349 2.002 -24.374 1.00 4.41 C ATOM 826 CG TYR A 350 17.728 0.685 -24.000 1.00 12.51 C ATOM 827 CD1 TYR A 350 16.705 0.152 -24.763 1.00 71.23 C ATOM 828 CD2 TYR A 350 18.180 -0.025 -22.903 1.00 43.54 C ATOM 829 CE1 TYR A 350 16.150 -1.056 -24.438 1.00 4.31 C ATOM 830 CE2 TYR A 350 17.616 -1.235 -22.580 1.00 43.21 C ATOM 831 CZ TYR A 350 16.603 -1.752 -23.350 1.00 41.13 C ATOM 832 OH TYR A 350 16.034 -3.008 -23.026 1.00 34.11 O ATOM 0 H TYR A 350 16.063 2.974 -23.574 1.00 0.44 H new ATOM 0 HA TYR A 350 18.755 2.940 -22.495 1.00 72.32 H new ATOM 0 HB2 TYR A 350 17.952 2.310 -25.341 1.00 4.41 H new ATOM 0 HB3 TYR A 350 19.422 1.856 -24.501 1.00 4.41 H new ATOM 0 HD1 TYR A 350 16.341 0.694 -25.623 1.00 71.23 H new ATOM 0 HD2 TYR A 350 18.980 0.374 -22.297 1.00 43.54 H new ATOM 0 HE1 TYR A 350 15.352 -1.462 -25.042 1.00 4.31 H new ATOM 0 HE2 TYR A 350 17.970 -1.781 -21.718 1.00 43.21 H new ATOM 0 HH TYR A 350 16.471 -3.368 -22.226 1.00 34.11 H new ATOM 842 N ASN A 351 19.296 5.232 -23.506 1.00 24.45 N ATOM 843 CA ASN A 351 19.610 6.495 -24.105 1.00 20.31 C ATOM 844 C ASN A 351 21.010 6.764 -23.733 1.00 73.13 C ATOM 845 O ASN A 351 21.896 6.756 -24.568 1.00 32.42 O ATOM 846 CB ASN A 351 18.712 7.664 -23.585 1.00 63.41 C ATOM 847 CG ASN A 351 17.863 8.277 -24.687 1.00 2.31 C ATOM 848 OD1 ASN A 351 18.231 9.311 -25.263 1.00 43.02 O ATOM 849 ND2 ASN A 351 16.718 7.642 -25.009 1.00 13.00 N ATOM 0 H ASN A 351 19.798 5.030 -22.642 1.00 24.45 H new ATOM 0 HA ASN A 351 19.442 6.443 -25.181 1.00 20.31 H new ATOM 0 HB2 ASN A 351 18.062 7.294 -22.792 1.00 63.41 H new ATOM 0 HB3 ASN A 351 19.344 8.436 -23.145 1.00 63.41 H new ATOM 0 HD21 ASN A 351 16.121 8.011 -25.750 1.00 13.00 H new ATOM 0 HD22 ASN A 351 16.449 6.793 -24.512 1.00 13.00 H new ATOM 856 N SER A 352 21.243 6.981 -22.454 1.00 51.13 N ATOM 857 CA SER A 352 22.569 7.251 -21.986 1.00 4.42 C ATOM 858 C SER A 352 23.228 5.897 -21.664 1.00 21.35 C ATOM 859 O SER A 352 24.451 5.886 -21.387 1.00 0.00 O ATOM 860 CB SER A 352 22.576 8.112 -20.712 1.00 40.32 C ATOM 861 OG SER A 352 21.715 9.254 -20.875 1.00 71.31 O ATOM 862 OXT SER A 352 22.493 4.847 -21.660 1.00 0.00 O ATOM 0 H SER A 352 20.526 6.974 -21.728 1.00 51.13 H new ATOM 0 HA SER A 352 23.105 7.803 -22.758 1.00 4.42 H new ATOM 0 HB2 SER A 352 22.245 7.517 -19.861 1.00 40.32 H new ATOM 0 HB3 SER A 352 23.592 8.442 -20.494 1.00 40.32 H new ATOM 0 HG SER A 352 21.727 9.793 -20.056 1.00 71.31 H new TER 868 SER A 352 HETATM 869 ZN ZN A 500 19.267 3.905 -9.023 1.00 0.00 ZN HETATM 870 ZN ZN A 501 3.660 5.870 -9.884 1.00 0.00 ZN