USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 437 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 319 HIS HD1 : A 319 HIS ND1 : A 501 ZNZN :(H bumps) USER MOD Set 1.1: A 312 CYS SG : rot 18:sc= 0.321 USER MOD Set 1.2: A 324 THR OG1 : rot 180:sc= 0.0822 USER MOD Single : A 297 SER OG : rot 180:sc= -0.0533 USER MOD Single : A 299 LYS NZ :NH3+ -172:sc= -0.0279 (180deg=-0.158) USER MOD Single : A 300 SER OG : rot -160:sc= 0 USER MOD Single : A 307 SER OG : rot 180:sc= -0.0195 USER MOD Single : A 308 SER OG : rot -53:sc= 0.76 USER MOD Single : A 310 LYS NZ :NH3+ -169:sc= 0.446 (180deg=0.36) USER MOD Single : A 311 SER OG : rot 120:sc= 0.106 USER MOD Single : A 321 CYS SG : rot 80:sc= -0.615 USER MOD Single : A 322 SER OG : rot 180:sc= 0.129 USER MOD Single : A 327 TYR OH : rot 180:sc= 0 USER MOD Single : A 334 LYS NZ :NH3+ -151:sc= 1.08 (180deg=0.5) USER MOD Single : A 335 LYS NZ :NH3+ 134:sc= 0.428 (180deg=-1.18) USER MOD Single : A 341 GLN : amide:sc= -2.07 K(o=-2.1,f=-9.9!) 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= -1.44 X(o=-1.4,f=-1.6) USER MOD Single : A 352 SER OG : rot -140:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 296 6.895 14.492 -13.484 1.00 13.00 N ATOM 2 CA GLY A 296 6.987 14.693 -14.948 1.00 45.03 C ATOM 3 C GLY A 296 8.343 15.204 -15.266 1.00 73.23 C ATOM 4 O GLY A 296 8.581 16.409 -15.254 1.00 42.04 O ATOM 0 HA2 GLY A 296 6.803 13.755 -15.472 1.00 45.03 H new ATOM 0 HA3 GLY A 296 6.227 15.400 -15.282 1.00 45.03 H new ATOM 10 N SER A 297 9.287 14.293 -15.495 1.00 4.31 N ATOM 11 CA SER A 297 10.641 14.668 -15.800 1.00 51.25 C ATOM 12 C SER A 297 11.185 13.502 -16.548 1.00 12.22 C ATOM 13 O SER A 297 10.487 12.495 -16.706 1.00 23.54 O ATOM 14 CB SER A 297 11.514 14.887 -14.538 1.00 64.21 C ATOM 15 OG SER A 297 10.825 15.717 -13.597 1.00 32.31 O ATOM 0 H SER A 297 9.124 13.286 -15.472 1.00 4.31 H new ATOM 0 HA SER A 297 10.655 15.611 -16.347 1.00 51.25 H new ATOM 0 HB2 SER A 297 11.752 13.927 -14.081 1.00 64.21 H new ATOM 0 HB3 SER A 297 12.460 15.350 -14.818 1.00 64.21 H new ATOM 0 HG SER A 297 11.385 15.847 -12.804 1.00 32.31 H new ATOM 21 N LEU A 298 12.437 13.584 -17.016 1.00 35.12 N ATOM 22 CA LEU A 298 13.007 12.481 -17.731 1.00 5.41 C ATOM 23 C LEU A 298 14.477 12.627 -17.615 1.00 43.22 C ATOM 24 O LEU A 298 15.007 13.724 -17.732 1.00 4.21 O ATOM 25 CB LEU A 298 12.649 12.453 -19.243 1.00 35.24 C ATOM 26 CG LEU A 298 12.803 11.057 -19.890 1.00 1.43 C ATOM 27 CD1 LEU A 298 11.565 10.182 -19.693 1.00 72.15 C ATOM 28 CD2 LEU A 298 13.206 11.140 -21.369 1.00 74.34 C ATOM 0 H LEU A 298 13.048 14.393 -16.906 1.00 35.12 H new ATOM 0 HA LEU A 298 12.613 11.560 -17.302 1.00 5.41 H new ATOM 0 HB2 LEU A 298 11.621 12.792 -19.371 1.00 35.24 H new ATOM 0 HB3 LEU A 298 13.286 13.162 -19.772 1.00 35.24 H new ATOM 0 HG LEU A 298 13.623 10.570 -19.363 1.00 1.43 H new ATOM 0 HD11 LEU A 298 11.725 9.213 -20.166 1.00 72.15 H new ATOM 0 HD12 LEU A 298 11.386 10.040 -18.627 1.00 72.15 H new ATOM 0 HD13 LEU A 298 10.700 10.668 -20.145 1.00 72.15 H new ATOM 0 HD21 LEU A 298 13.301 10.134 -21.777 1.00 74.34 H new ATOM 0 HD22 LEU A 298 12.443 11.686 -21.924 1.00 74.34 H new ATOM 0 HD23 LEU A 298 14.160 11.659 -21.457 1.00 74.34 H new ATOM 40 N LYS A 299 15.165 11.491 -17.333 1.00 1.14 N ATOM 41 CA LYS A 299 16.618 11.428 -17.249 1.00 73.23 C ATOM 42 C LYS A 299 17.125 12.349 -16.170 1.00 2.00 C ATOM 43 O LYS A 299 18.170 12.996 -16.322 1.00 0.43 O ATOM 44 CB LYS A 299 17.359 11.708 -18.577 1.00 45.11 C ATOM 45 CG LYS A 299 16.862 10.842 -19.749 1.00 52.34 C ATOM 46 CD LYS A 299 16.735 9.346 -19.413 1.00 21.21 C ATOM 47 CE LYS A 299 16.881 8.440 -20.631 1.00 23.50 C ATOM 48 NZ LYS A 299 15.966 8.869 -21.707 1.00 54.31 N ATOM 0 H LYS A 299 14.709 10.595 -17.159 1.00 1.14 H new ATOM 0 HA LYS A 299 16.843 10.391 -17.000 1.00 73.23 H new ATOM 0 HB2 LYS A 299 17.240 12.760 -18.836 1.00 45.11 H new ATOM 0 HB3 LYS A 299 18.425 11.534 -18.433 1.00 45.11 H new ATOM 0 HG2 LYS A 299 15.891 11.214 -20.076 1.00 52.34 H new ATOM 0 HG3 LYS A 299 17.547 10.958 -20.589 1.00 52.34 H new ATOM 0 HD2 LYS A 299 17.495 9.080 -18.678 1.00 21.21 H new ATOM 0 HD3 LYS A 299 15.765 9.166 -18.949 1.00 21.21 H new ATOM 0 HE2 LYS A 299 17.910 8.465 -20.989 1.00 23.50 H new ATOM 0 HE3 LYS A 299 16.666 7.408 -20.352 1.00 23.50 H new ATOM 0 HZ1 LYS A 299 15.978 8.166 -22.474 1.00 54.31 H new ATOM 0 HZ2 LYS A 299 15.001 8.953 -21.329 1.00 54.31 H new ATOM 0 HZ3 LYS A 299 16.274 9.791 -22.077 1.00 54.31 H new ATOM 62 N SER A 300 16.373 12.424 -15.059 1.00 3.12 N ATOM 63 CA SER A 300 16.786 13.178 -13.908 1.00 12.04 C ATOM 64 C SER A 300 17.391 12.163 -12.988 1.00 55.23 C ATOM 65 O SER A 300 17.591 11.031 -13.384 1.00 3.53 O ATOM 66 CB SER A 300 15.610 13.860 -13.189 1.00 32.21 C ATOM 67 OG SER A 300 14.834 14.609 -14.130 1.00 2.40 O ATOM 0 H SER A 300 15.471 11.960 -14.953 1.00 3.12 H new ATOM 0 HA SER A 300 17.467 13.976 -14.203 1.00 12.04 H new ATOM 0 HB2 SER A 300 14.985 13.111 -12.703 1.00 32.21 H new ATOM 0 HB3 SER A 300 15.984 14.519 -12.406 1.00 32.21 H new ATOM 0 HG SER A 300 14.300 15.278 -13.654 1.00 2.40 H new ATOM 73 N ALA A 301 17.679 12.533 -11.736 1.00 41.01 N ATOM 74 CA ALA A 301 18.324 11.618 -10.817 1.00 13.55 C ATOM 75 C ALA A 301 17.367 10.511 -10.442 1.00 40.31 C ATOM 76 O ALA A 301 16.218 10.748 -10.109 1.00 4.35 O ATOM 77 CB ALA A 301 18.794 12.289 -9.513 1.00 62.14 C ATOM 0 H ALA A 301 17.474 13.454 -11.348 1.00 41.01 H new ATOM 0 HA ALA A 301 19.202 11.238 -11.340 1.00 13.55 H new ATOM 0 HB1 ALA A 301 19.268 11.546 -8.872 1.00 62.14 H new ATOM 0 HB2 ALA A 301 19.511 13.076 -9.747 1.00 62.14 H new ATOM 0 HB3 ALA A 301 17.937 12.720 -8.996 1.00 62.14 H new ATOM 83 N CYS A 302 17.859 9.245 -10.535 1.00 65.22 N ATOM 84 CA CYS A 302 17.135 8.047 -10.084 1.00 52.23 C ATOM 85 C CYS A 302 16.795 8.307 -8.640 1.00 22.22 C ATOM 86 O CYS A 302 17.688 8.375 -7.835 1.00 13.50 O ATOM 87 CB CYS A 302 18.067 6.783 -10.177 1.00 40.05 C ATOM 88 SG CYS A 302 17.404 5.207 -9.476 1.00 41.41 S ATOM 0 H CYS A 302 18.776 9.037 -10.929 1.00 65.22 H new ATOM 0 HA CYS A 302 16.252 7.858 -10.694 1.00 52.23 H new ATOM 0 HB2 CYS A 302 18.307 6.614 -11.227 1.00 40.05 H new ATOM 0 HB3 CYS A 302 19.004 7.013 -9.669 1.00 40.05 H new ATOM 93 N VAL A 303 15.481 8.292 -8.297 1.00 60.23 N ATOM 94 CA VAL A 303 14.996 8.806 -7.000 1.00 1.53 C ATOM 95 C VAL A 303 15.450 7.931 -5.849 1.00 55.21 C ATOM 96 O VAL A 303 15.361 8.312 -4.696 1.00 64.33 O ATOM 97 CB VAL A 303 13.485 8.915 -6.941 1.00 31.35 C ATOM 98 CG1 VAL A 303 13.018 9.830 -8.083 1.00 0.51 C ATOM 99 CG2 VAL A 303 12.857 7.511 -7.037 1.00 21.51 C ATOM 0 H VAL A 303 14.744 7.930 -8.902 1.00 60.23 H new ATOM 0 HA VAL A 303 15.427 9.803 -6.907 1.00 1.53 H new ATOM 0 HB VAL A 303 13.165 9.349 -5.994 1.00 31.35 H new ATOM 0 HG11 VAL A 303 11.932 9.920 -8.056 1.00 0.51 H new ATOM 0 HG12 VAL A 303 13.467 10.816 -7.966 1.00 0.51 H new ATOM 0 HG13 VAL A 303 13.323 9.404 -9.039 1.00 0.51 H new ATOM 0 HG21 VAL A 303 11.771 7.594 -6.994 1.00 21.51 H new ATOM 0 HG22 VAL A 303 13.148 7.046 -7.979 1.00 21.51 H new ATOM 0 HG23 VAL A 303 13.207 6.898 -6.206 1.00 21.51 H new ATOM 109 N VAL A 304 15.932 6.734 -6.156 1.00 52.44 N ATOM 110 CA VAL A 304 16.347 5.833 -5.119 1.00 52.14 C ATOM 111 C VAL A 304 17.802 6.090 -4.798 1.00 61.13 C ATOM 112 O VAL A 304 18.154 6.304 -3.651 1.00 1.01 O ATOM 113 CB VAL A 304 16.186 4.370 -5.514 1.00 44.11 C ATOM 114 CG1 VAL A 304 15.959 3.542 -4.248 1.00 12.12 C ATOM 115 CG2 VAL A 304 15.007 4.237 -6.509 1.00 53.52 C ATOM 0 H VAL A 304 16.040 6.378 -7.106 1.00 52.44 H new ATOM 0 HA VAL A 304 15.709 6.015 -4.254 1.00 52.14 H new ATOM 0 HB VAL A 304 17.083 3.999 -6.010 1.00 44.11 H new ATOM 0 HG11 VAL A 304 15.842 2.492 -4.516 1.00 12.12 H new ATOM 0 HG12 VAL A 304 16.815 3.653 -3.582 1.00 12.12 H new ATOM 0 HG13 VAL A 304 15.058 3.890 -3.742 1.00 12.12 H new ATOM 0 HG21 VAL A 304 14.888 3.192 -6.795 1.00 53.52 H new ATOM 0 HG22 VAL A 304 14.091 4.591 -6.037 1.00 53.52 H new ATOM 0 HG23 VAL A 304 15.211 4.835 -7.397 1.00 53.52 H new ATOM 125 N CYS A 305 18.678 6.113 -5.825 1.00 63.32 N ATOM 126 CA CYS A 305 20.111 6.188 -5.550 1.00 41.05 C ATOM 127 C CYS A 305 20.561 7.630 -5.532 1.00 43.21 C ATOM 128 O CYS A 305 21.356 8.011 -4.702 1.00 62.24 O ATOM 129 CB CYS A 305 20.996 5.326 -6.517 1.00 12.01 C ATOM 130 SG CYS A 305 20.788 5.686 -8.299 1.00 4.10 S ATOM 0 H CYS A 305 18.423 6.082 -6.812 1.00 63.32 H new ATOM 0 HA CYS A 305 20.259 5.748 -4.564 1.00 41.05 H new ATOM 0 HB2 CYS A 305 22.043 5.474 -6.253 1.00 12.01 H new ATOM 0 HB3 CYS A 305 20.771 4.273 -6.347 1.00 12.01 H new ATOM 135 N LEU A 306 20.088 8.426 -6.532 1.00 53.52 N ATOM 136 CA LEU A 306 20.339 9.878 -6.635 1.00 3.23 C ATOM 137 C LEU A 306 21.675 10.096 -7.289 1.00 5.21 C ATOM 138 O LEU A 306 22.120 11.220 -7.437 1.00 41.44 O ATOM 139 CB LEU A 306 20.280 10.714 -5.307 1.00 40.53 C ATOM 140 CG LEU A 306 18.857 10.901 -4.710 1.00 54.35 C ATOM 141 CD1 LEU A 306 17.803 11.294 -5.755 1.00 61.24 C ATOM 142 CD2 LEU A 306 18.407 9.716 -3.849 1.00 13.34 C ATOM 0 H LEU A 306 19.515 8.065 -7.295 1.00 53.52 H new ATOM 0 HA LEU A 306 19.503 10.253 -7.225 1.00 3.23 H new ATOM 0 HB2 LEU A 306 20.909 10.228 -4.561 1.00 40.53 H new ATOM 0 HB3 LEU A 306 20.711 11.697 -5.495 1.00 40.53 H new ATOM 0 HG LEU A 306 18.944 11.754 -4.037 1.00 54.35 H new ATOM 0 HD11 LEU A 306 16.834 11.408 -5.269 1.00 61.24 H new ATOM 0 HD12 LEU A 306 18.088 12.237 -6.222 1.00 61.24 H new ATOM 0 HD13 LEU A 306 17.738 10.517 -6.516 1.00 61.24 H new ATOM 0 HD21 LEU A 306 17.406 9.907 -3.461 1.00 13.34 H new ATOM 0 HD22 LEU A 306 18.395 8.810 -4.455 1.00 13.34 H new ATOM 0 HD23 LEU A 306 19.100 9.587 -3.017 1.00 13.34 H new ATOM 154 N SER A 307 22.318 9.016 -7.724 1.00 32.34 N ATOM 155 CA SER A 307 23.612 9.115 -8.343 1.00 55.11 C ATOM 156 C SER A 307 23.415 8.989 -9.827 1.00 41.01 C ATOM 157 O SER A 307 23.786 9.876 -10.590 1.00 35.33 O ATOM 158 CB SER A 307 24.563 7.979 -7.871 1.00 0.31 C ATOM 159 OG SER A 307 23.830 7.002 -7.100 1.00 34.14 O ATOM 0 H SER A 307 21.953 8.066 -7.654 1.00 32.34 H new ATOM 0 HA SER A 307 24.065 10.068 -8.069 1.00 55.11 H new ATOM 0 HB2 SER A 307 25.025 7.500 -8.734 1.00 0.31 H new ATOM 0 HB3 SER A 307 25.370 8.397 -7.269 1.00 0.31 H new ATOM 0 HG SER A 307 24.439 6.291 -6.810 1.00 34.14 H new ATOM 165 N SER A 308 22.742 7.904 -10.251 1.00 61.13 N ATOM 166 CA SER A 308 22.581 7.634 -11.660 1.00 35.51 C ATOM 167 C SER A 308 21.273 8.223 -12.065 1.00 24.53 C ATOM 168 O SER A 308 20.392 8.442 -11.209 1.00 72.34 O ATOM 169 CB SER A 308 22.563 6.125 -12.004 1.00 4.12 C ATOM 170 OG SER A 308 21.694 5.381 -11.123 1.00 60.11 O ATOM 0 H SER A 308 22.311 7.217 -9.633 1.00 61.13 H new ATOM 0 HA SER A 308 23.432 8.064 -12.188 1.00 35.51 H new ATOM 0 HB2 SER A 308 22.235 5.992 -13.035 1.00 4.12 H new ATOM 0 HB3 SER A 308 23.575 5.726 -11.938 1.00 4.12 H new ATOM 0 HG SER A 308 21.937 5.565 -10.192 1.00 60.11 H new ATOM 176 N PHE A 309 21.082 8.446 -13.380 1.00 52.35 N ATOM 177 CA PHE A 309 19.839 9.004 -13.864 1.00 15.31 C ATOM 178 C PHE A 309 18.781 7.934 -13.820 1.00 53.04 C ATOM 179 O PHE A 309 19.062 6.736 -13.629 1.00 11.05 O ATOM 180 CB PHE A 309 19.894 9.503 -15.334 1.00 5.01 C ATOM 181 CG PHE A 309 20.955 10.521 -15.629 1.00 44.54 C ATOM 182 CD1 PHE A 309 21.059 11.678 -14.878 1.00 3.12 C ATOM 183 CD2 PHE A 309 21.843 10.323 -16.671 1.00 33.21 C ATOM 184 CE1 PHE A 309 22.025 12.607 -15.170 1.00 54.11 C ATOM 185 CE2 PHE A 309 22.805 11.253 -16.953 1.00 40.42 C ATOM 186 CZ PHE A 309 22.896 12.393 -16.206 1.00 60.35 C ATOM 0 H PHE A 309 21.772 8.246 -14.104 1.00 52.35 H new ATOM 0 HA PHE A 309 19.627 9.859 -13.222 1.00 15.31 H new ATOM 0 HB2 PHE A 309 20.048 8.643 -15.986 1.00 5.01 H new ATOM 0 HB3 PHE A 309 18.924 9.929 -15.592 1.00 5.01 H new ATOM 0 HD1 PHE A 309 20.377 11.851 -14.059 1.00 3.12 H new ATOM 0 HD2 PHE A 309 21.776 9.425 -17.268 1.00 33.21 H new ATOM 0 HE1 PHE A 309 22.099 13.510 -14.582 1.00 54.11 H new ATOM 0 HE2 PHE A 309 23.494 11.086 -17.768 1.00 40.42 H new ATOM 0 HZ PHE A 309 23.656 13.127 -16.432 1.00 60.35 H new ATOM 196 N LYS A 310 17.516 8.370 -13.909 1.00 32.30 N ATOM 197 CA LYS A 310 16.406 7.473 -14.018 1.00 34.31 C ATOM 198 C LYS A 310 16.327 7.071 -15.456 1.00 32.34 C ATOM 199 O LYS A 310 16.302 7.909 -16.348 1.00 3.50 O ATOM 200 CB LYS A 310 15.044 8.091 -13.599 1.00 2.30 C ATOM 201 CG LYS A 310 14.876 9.572 -13.964 1.00 31.25 C ATOM 202 CD LYS A 310 13.537 9.879 -14.626 1.00 21.25 C ATOM 203 CE LYS A 310 12.976 11.251 -14.268 1.00 52.41 C ATOM 204 NZ LYS A 310 12.574 11.289 -12.850 1.00 3.02 N ATOM 0 H LYS A 310 17.256 9.356 -13.906 1.00 32.30 H new ATOM 0 HA LYS A 310 16.576 6.638 -13.338 1.00 34.31 H new ATOM 0 HB2 LYS A 310 14.242 7.521 -14.068 1.00 2.30 H new ATOM 0 HB3 LYS A 310 14.926 7.980 -12.521 1.00 2.30 H new ATOM 0 HG2 LYS A 310 14.975 10.175 -13.062 1.00 31.25 H new ATOM 0 HG3 LYS A 310 15.682 9.868 -14.635 1.00 31.25 H new ATOM 0 HD2 LYS A 310 13.654 9.815 -15.708 1.00 21.25 H new ATOM 0 HD3 LYS A 310 12.815 9.115 -14.337 1.00 21.25 H new ATOM 0 HE2 LYS A 310 13.725 12.019 -14.461 1.00 52.41 H new ATOM 0 HE3 LYS A 310 12.118 11.477 -14.902 1.00 52.41 H new ATOM 0 HZ1 LYS A 310 12.028 12.155 -12.667 1.00 3.02 H new ATOM 0 HZ2 LYS A 310 11.988 10.458 -12.633 1.00 3.02 H new ATOM 0 HZ3 LYS A 310 13.422 11.281 -12.248 1.00 3.02 H new ATOM 218 N SER A 311 16.327 5.770 -15.693 1.00 11.14 N ATOM 219 CA SER A 311 16.316 5.235 -17.015 1.00 22.54 C ATOM 220 C SER A 311 15.339 4.091 -17.011 1.00 32.23 C ATOM 221 O SER A 311 15.553 3.079 -17.655 1.00 4.30 O ATOM 222 CB SER A 311 17.709 4.713 -17.452 1.00 2.43 C ATOM 223 OG SER A 311 18.734 5.599 -16.973 1.00 54.22 O ATOM 0 H SER A 311 16.335 5.063 -14.958 1.00 11.14 H new ATOM 0 HA SER A 311 16.037 6.019 -17.719 1.00 22.54 H new ATOM 0 HB2 SER A 311 17.871 3.709 -17.059 1.00 2.43 H new ATOM 0 HB3 SER A 311 17.756 4.642 -18.539 1.00 2.43 H new ATOM 0 HG SER A 311 19.341 5.107 -16.381 1.00 54.22 H new ATOM 229 N CYS A 312 14.243 4.236 -16.255 1.00 60.44 N ATOM 230 CA CYS A 312 13.259 3.182 -16.179 1.00 23.43 C ATOM 231 C CYS A 312 11.950 3.820 -15.889 1.00 41.45 C ATOM 232 O CYS A 312 11.793 4.561 -14.880 1.00 72.14 O ATOM 233 CB CYS A 312 13.515 2.126 -15.069 1.00 35.42 C ATOM 234 SG CYS A 312 14.797 0.915 -15.518 1.00 32.40 S ATOM 0 H CYS A 312 14.029 5.065 -15.700 1.00 60.44 H new ATOM 0 HA CYS A 312 13.298 2.650 -17.130 1.00 23.43 H new ATOM 0 HB2 CYS A 312 13.810 2.636 -14.152 1.00 35.42 H new ATOM 0 HB3 CYS A 312 12.585 1.599 -14.855 1.00 35.42 H new ATOM 0 HG CYS A 312 15.505 1.378 -16.505 1.00 32.40 H new ATOM 240 N VAL A 313 10.982 3.557 -16.785 1.00 23.14 N ATOM 241 CA VAL A 313 9.641 3.997 -16.622 1.00 42.01 C ATOM 242 C VAL A 313 8.953 2.808 -16.053 1.00 22.21 C ATOM 243 O VAL A 313 9.126 1.693 -16.541 1.00 72.23 O ATOM 244 CB VAL A 313 8.950 4.354 -17.931 1.00 21.50 C ATOM 245 CG1 VAL A 313 7.689 5.189 -17.630 1.00 43.32 C ATOM 246 CG2 VAL A 313 9.946 5.095 -18.843 1.00 23.42 C ATOM 0 H VAL A 313 11.140 3.026 -17.641 1.00 23.14 H new ATOM 0 HA VAL A 313 9.613 4.900 -16.012 1.00 42.01 H new ATOM 0 HB VAL A 313 8.628 3.456 -18.458 1.00 21.50 H new ATOM 0 HG11 VAL A 313 7.191 5.447 -18.565 1.00 43.32 H new ATOM 0 HG12 VAL A 313 7.010 4.610 -17.005 1.00 43.32 H new ATOM 0 HG13 VAL A 313 7.973 6.102 -17.107 1.00 43.32 H new ATOM 0 HG21 VAL A 313 9.457 5.353 -19.782 1.00 23.42 H new ATOM 0 HG22 VAL A 313 10.285 6.005 -18.348 1.00 23.42 H new ATOM 0 HG23 VAL A 313 10.802 4.452 -19.045 1.00 23.42 H new ATOM 256 N PHE A 314 8.193 2.998 -14.997 1.00 53.34 N ATOM 257 CA PHE A 314 7.509 1.898 -14.398 1.00 71.45 C ATOM 258 C PHE A 314 6.144 1.879 -14.969 1.00 24.23 C ATOM 259 O PHE A 314 5.348 2.840 -14.767 1.00 41.12 O ATOM 260 CB PHE A 314 7.422 1.992 -12.866 1.00 11.23 C ATOM 261 CG PHE A 314 8.727 1.683 -12.170 1.00 73.15 C ATOM 262 CD1 PHE A 314 9.547 0.653 -12.620 1.00 13.03 C ATOM 263 CD2 PHE A 314 9.133 2.415 -11.074 1.00 54.02 C ATOM 264 CE1 PHE A 314 10.723 0.374 -11.989 1.00 25.54 C ATOM 265 CE2 PHE A 314 10.322 2.121 -10.448 1.00 54.21 C ATOM 266 CZ PHE A 314 11.110 1.103 -10.907 1.00 0.53 C ATOM 0 H PHE A 314 8.040 3.900 -14.546 1.00 53.34 H new ATOM 0 HA PHE A 314 8.066 0.985 -14.611 1.00 71.45 H new ATOM 0 HB2 PHE A 314 7.100 2.996 -12.589 1.00 11.23 H new ATOM 0 HB3 PHE A 314 6.657 1.302 -12.510 1.00 11.23 H new ATOM 0 HD1 PHE A 314 9.249 0.069 -13.478 1.00 13.03 H new ATOM 0 HD2 PHE A 314 8.516 3.221 -10.706 1.00 54.02 H new ATOM 0 HE1 PHE A 314 11.350 -0.428 -12.349 1.00 25.54 H new ATOM 0 HE2 PHE A 314 10.634 2.697 -9.590 1.00 54.21 H new ATOM 0 HZ PHE A 314 12.042 0.877 -10.410 1.00 0.53 H new ATOM 276 N LEU A 315 5.802 0.770 -15.678 1.00 41.41 N ATOM 277 CA LEU A 315 4.515 0.666 -16.274 1.00 40.44 C ATOM 278 C LEU A 315 3.622 0.274 -15.160 1.00 63.54 C ATOM 279 O LEU A 315 3.656 -0.844 -14.672 1.00 3.15 O ATOM 280 CB LEU A 315 4.462 -0.478 -17.328 1.00 75.44 C ATOM 281 CG LEU A 315 3.498 -0.241 -18.506 1.00 13.32 C ATOM 282 CD1 LEU A 315 3.891 -1.076 -19.737 1.00 22.15 C ATOM 283 CD2 LEU A 315 2.039 -0.487 -18.108 1.00 54.14 C ATOM 0 H LEU A 315 6.413 -0.033 -15.829 1.00 41.41 H new ATOM 0 HA LEU A 315 4.246 1.598 -16.771 1.00 40.44 H new ATOM 0 HB2 LEU A 315 5.465 -0.631 -17.726 1.00 75.44 H new ATOM 0 HB3 LEU A 315 4.175 -1.401 -16.825 1.00 75.44 H new ATOM 0 HG LEU A 315 3.585 0.810 -18.781 1.00 13.32 H new ATOM 0 HD11 LEU A 315 3.188 -0.882 -20.547 1.00 22.15 H new ATOM 0 HD12 LEU A 315 4.897 -0.803 -20.056 1.00 22.15 H new ATOM 0 HD13 LEU A 315 3.867 -2.135 -19.481 1.00 22.15 H new ATOM 0 HD21 LEU A 315 1.392 -0.309 -18.967 1.00 54.14 H new ATOM 0 HD22 LEU A 315 1.922 -1.518 -17.773 1.00 54.14 H new ATOM 0 HD23 LEU A 315 1.763 0.190 -17.300 1.00 54.14 H new ATOM 295 N GLU A 316 2.988 1.248 -14.616 1.00 75.43 N ATOM 296 CA GLU A 316 1.919 1.086 -13.736 1.00 15.30 C ATOM 297 C GLU A 316 1.043 2.214 -14.080 1.00 13.31 C ATOM 298 O GLU A 316 -0.027 2.107 -14.634 1.00 42.02 O ATOM 299 CB GLU A 316 2.296 1.112 -12.243 1.00 32.43 C ATOM 300 CG GLU A 316 3.812 1.194 -11.988 1.00 3.53 C ATOM 301 CD GLU A 316 4.048 1.588 -10.549 1.00 41.11 C ATOM 302 OE1 GLU A 316 4.908 1.008 -9.916 1.00 20.13 O ATOM 303 OE2 GLU A 316 3.412 2.580 -10.085 1.00 71.34 O ATOM 0 H GLU A 316 3.223 2.225 -14.790 1.00 75.43 H new ATOM 0 HA GLU A 316 1.465 0.102 -13.850 1.00 15.30 H new ATOM 0 HB2 GLU A 316 1.810 1.965 -11.770 1.00 32.43 H new ATOM 0 HB3 GLU A 316 1.904 0.215 -11.763 1.00 32.43 H new ATOM 0 HG2 GLU A 316 4.281 0.233 -12.197 1.00 3.53 H new ATOM 0 HG3 GLU A 316 4.268 1.923 -12.658 1.00 3.53 H new ATOM 310 N CYS A 317 1.655 3.367 -13.754 1.00 53.42 N ATOM 311 CA CYS A 317 1.098 4.693 -13.777 1.00 43.05 C ATOM 312 C CYS A 317 1.888 5.503 -14.796 1.00 2.30 C ATOM 313 O CYS A 317 1.501 6.606 -15.137 1.00 52.42 O ATOM 314 CB CYS A 317 1.364 5.365 -12.398 1.00 31.35 C ATOM 315 SG CYS A 317 3.011 4.785 -11.804 1.00 24.30 S ATOM 0 H CYS A 317 2.627 3.374 -13.446 1.00 53.42 H new ATOM 0 HA CYS A 317 0.033 4.652 -14.007 1.00 43.05 H new ATOM 0 HB2 CYS A 317 1.352 6.451 -12.492 1.00 31.35 H new ATOM 0 HB3 CYS A 317 0.584 5.098 -11.685 1.00 31.35 H new ATOM 320 N GLY A 318 3.056 4.963 -15.297 1.00 52.45 N ATOM 321 CA GLY A 318 3.868 5.716 -16.247 1.00 33.10 C ATOM 322 C GLY A 318 4.825 6.638 -15.527 1.00 72.43 C ATOM 323 O GLY A 318 5.247 7.631 -16.090 1.00 4.22 O ATOM 0 H GLY A 318 3.421 4.042 -15.052 1.00 52.45 H new ATOM 0 HA2 GLY A 318 4.427 5.027 -16.880 1.00 33.10 H new ATOM 0 HA3 GLY A 318 3.221 6.298 -16.904 1.00 33.10 H new ATOM 327 N HIS A 319 5.190 6.341 -14.252 1.00 34.30 N ATOM 328 CA HIS A 319 6.133 7.215 -13.520 1.00 21.20 C ATOM 329 C HIS A 319 7.520 6.829 -13.988 1.00 62.21 C ATOM 330 O HIS A 319 7.820 5.636 -14.085 1.00 54.24 O ATOM 331 CB HIS A 319 6.085 7.036 -11.962 1.00 11.44 C ATOM 332 CG HIS A 319 5.329 8.134 -11.184 1.00 55.21 C ATOM 333 ND1 HIS A 319 4.439 7.788 -10.153 1.00 71.11 N ATOM 334 CD2 HIS A 319 5.368 9.491 -11.322 1.00 41.04 C ATOM 335 CE1 HIS A 319 3.965 8.930 -9.710 1.00 32.43 C ATOM 336 NE2 HIS A 319 4.494 9.992 -10.376 1.00 24.34 N ATOM 0 H HIS A 319 4.857 5.532 -13.728 1.00 34.30 H new ATOM 0 HA HIS A 319 5.865 8.252 -13.724 1.00 21.20 H new ATOM 0 HB2 HIS A 319 5.622 6.075 -11.740 1.00 11.44 H new ATOM 0 HB3 HIS A 319 7.108 6.991 -11.588 1.00 11.44 H new ATOM 0 HD2 HIS A 319 5.960 10.057 -12.026 1.00 41.04 H new ATOM 0 HE1 HIS A 319 3.242 9.016 -8.912 1.00 32.43 H new ATOM 0 HE2 HIS A 319 4.284 10.976 -10.208 1.00 24.34 H new ATOM 344 N VAL A 320 8.401 7.820 -14.203 1.00 23.20 N ATOM 345 CA VAL A 320 9.762 7.556 -14.657 1.00 11.20 C ATOM 346 C VAL A 320 10.597 7.912 -13.473 1.00 73.52 C ATOM 347 O VAL A 320 10.613 9.075 -13.078 1.00 5.12 O ATOM 348 CB VAL A 320 10.186 8.446 -15.836 1.00 73.32 C ATOM 349 CG1 VAL A 320 11.284 7.733 -16.646 1.00 52.12 C ATOM 350 CG2 VAL A 320 8.941 8.758 -16.700 1.00 42.11 C ATOM 0 H VAL A 320 8.188 8.808 -14.068 1.00 23.20 H new ATOM 0 HA VAL A 320 9.862 6.528 -15.005 1.00 11.20 H new ATOM 0 HB VAL A 320 10.598 9.390 -15.480 1.00 73.32 H new ATOM 0 HG11 VAL A 320 11.586 8.363 -17.483 1.00 52.12 H new ATOM 0 HG12 VAL A 320 12.145 7.544 -16.005 1.00 52.12 H new ATOM 0 HG13 VAL A 320 10.900 6.786 -17.025 1.00 52.12 H new ATOM 0 HG21 VAL A 320 9.230 9.389 -17.540 1.00 42.11 H new ATOM 0 HG22 VAL A 320 8.516 7.827 -17.075 1.00 42.11 H new ATOM 0 HG23 VAL A 320 8.199 9.278 -16.094 1.00 42.11 H new ATOM 360 N CYS A 321 11.281 6.933 -12.812 1.00 65.43 N ATOM 361 CA CYS A 321 11.956 7.340 -11.580 1.00 0.22 C ATOM 362 C CYS A 321 13.144 6.465 -11.221 1.00 51.53 C ATOM 363 O CYS A 321 14.000 6.896 -10.421 1.00 51.33 O ATOM 364 CB CYS A 321 10.990 7.360 -10.367 1.00 24.13 C ATOM 365 SG CYS A 321 9.587 6.191 -10.556 1.00 22.10 S ATOM 0 H CYS A 321 11.368 5.955 -13.088 1.00 65.43 H new ATOM 0 HA CYS A 321 12.317 8.347 -11.791 1.00 0.22 H new ATOM 0 HB2 CYS A 321 11.545 7.111 -9.462 1.00 24.13 H new ATOM 0 HB3 CYS A 321 10.601 8.369 -10.235 1.00 24.13 H new ATOM 0 HG CYS A 321 9.982 4.988 -10.261 1.00 22.10 H new ATOM 371 N SER A 322 13.275 5.239 -11.767 1.00 34.11 N ATOM 372 CA SER A 322 14.347 4.374 -11.288 1.00 22.42 C ATOM 373 C SER A 322 15.346 4.163 -12.362 1.00 62.14 C ATOM 374 O SER A 322 15.220 4.650 -13.447 1.00 5.32 O ATOM 375 CB SER A 322 13.899 2.999 -10.737 1.00 51.01 C ATOM 376 OG SER A 322 14.841 2.542 -9.733 1.00 44.43 O ATOM 0 H SER A 322 12.682 4.850 -12.500 1.00 34.11 H new ATOM 0 HA SER A 322 14.774 4.907 -10.439 1.00 22.42 H new ATOM 0 HB2 SER A 322 12.902 3.078 -10.304 1.00 51.01 H new ATOM 0 HB3 SER A 322 13.838 2.274 -11.549 1.00 51.01 H new ATOM 0 HG SER A 322 14.553 1.672 -9.386 1.00 44.43 H new ATOM 382 N CYS A 323 16.405 3.420 -12.011 1.00 5.25 N ATOM 383 CA CYS A 323 17.491 3.131 -12.904 1.00 1.21 C ATOM 384 C CYS A 323 17.535 1.645 -12.886 1.00 1.33 C ATOM 385 O CYS A 323 17.222 1.057 -11.842 1.00 5.33 O ATOM 386 CB CYS A 323 18.891 3.774 -12.471 1.00 11.13 C ATOM 387 SG CYS A 323 19.831 2.896 -11.150 1.00 60.31 S ATOM 0 H CYS A 323 16.515 3.007 -11.085 1.00 5.25 H new ATOM 0 HA CYS A 323 17.330 3.564 -13.891 1.00 1.21 H new ATOM 0 HB2 CYS A 323 19.525 3.837 -13.356 1.00 11.13 H new ATOM 0 HB3 CYS A 323 18.708 4.795 -12.137 1.00 11.13 H new ATOM 392 N THR A 324 17.933 1.017 -14.008 1.00 73.12 N ATOM 393 CA THR A 324 17.875 -0.437 -14.193 1.00 14.10 C ATOM 394 C THR A 324 18.524 -1.175 -13.040 1.00 0.50 C ATOM 395 O THR A 324 17.940 -2.090 -12.468 1.00 11.40 O ATOM 396 CB THR A 324 18.548 -0.863 -15.486 1.00 24.21 C ATOM 397 OG1 THR A 324 18.455 0.197 -16.458 1.00 40.33 O ATOM 398 CG2 THR A 324 17.861 -2.130 -16.013 1.00 22.34 C ATOM 0 H THR A 324 18.307 1.513 -14.817 1.00 73.12 H new ATOM 0 HA THR A 324 16.817 -0.697 -14.235 1.00 14.10 H new ATOM 0 HB THR A 324 19.602 -1.073 -15.302 1.00 24.21 H new ATOM 0 HG1 THR A 324 18.892 -0.082 -17.289 1.00 40.33 H new ATOM 0 HG21 THR A 324 18.338 -2.443 -16.942 1.00 22.34 H new ATOM 0 HG22 THR A 324 17.949 -2.926 -15.274 1.00 22.34 H new ATOM 0 HG23 THR A 324 16.807 -1.922 -16.199 1.00 22.34 H new ATOM 406 N GLU A 325 19.725 -0.733 -12.647 1.00 32.31 N ATOM 407 CA GLU A 325 20.506 -1.424 -11.648 1.00 3.13 C ATOM 408 C GLU A 325 19.822 -1.378 -10.305 1.00 73.11 C ATOM 409 O GLU A 325 19.903 -2.305 -9.549 1.00 53.33 O ATOM 410 CB GLU A 325 21.909 -0.828 -11.509 1.00 13.20 C ATOM 411 CG GLU A 325 22.684 -0.845 -12.849 1.00 20.24 C ATOM 412 CD GLU A 325 22.648 0.546 -13.478 1.00 23.20 C ATOM 413 OE1 GLU A 325 21.538 1.173 -13.467 1.00 0.43 O ATOM 414 OE2 GLU A 325 23.699 1.005 -13.979 1.00 1.21 O ATOM 0 H GLU A 325 20.168 0.108 -13.017 1.00 32.31 H new ATOM 0 HA GLU A 325 20.596 -2.458 -11.981 1.00 3.13 H new ATOM 0 HB2 GLU A 325 21.833 0.198 -11.148 1.00 13.20 H new ATOM 0 HB3 GLU A 325 22.468 -1.389 -10.760 1.00 13.20 H new ATOM 0 HG2 GLU A 325 23.716 -1.152 -12.680 1.00 20.24 H new ATOM 0 HG3 GLU A 325 22.241 -1.574 -13.528 1.00 20.24 H new ATOM 421 N CYS A 326 19.114 -0.276 -10.004 1.00 11.31 N ATOM 422 CA CYS A 326 18.434 -0.153 -8.698 1.00 73.35 C ATOM 423 C CYS A 326 17.339 -1.184 -8.643 1.00 74.41 C ATOM 424 O CYS A 326 17.136 -1.832 -7.623 1.00 34.23 O ATOM 425 CB CYS A 326 17.755 1.233 -8.457 1.00 12.13 C ATOM 426 SG CYS A 326 18.751 2.402 -7.483 1.00 12.13 S ATOM 0 H CYS A 326 18.997 0.524 -10.626 1.00 11.31 H new ATOM 0 HA CYS A 326 19.204 -0.284 -7.938 1.00 73.35 H new ATOM 0 HB2 CYS A 326 17.528 1.685 -9.423 1.00 12.13 H new ATOM 0 HB3 CYS A 326 16.804 1.074 -7.948 1.00 12.13 H new ATOM 431 N TYR A 327 16.602 -1.322 -9.763 1.00 1.14 N ATOM 432 CA TYR A 327 15.467 -2.211 -9.816 1.00 53.51 C ATOM 433 C TYR A 327 15.957 -3.639 -9.686 1.00 40.03 C ATOM 434 O TYR A 327 15.758 -4.287 -8.659 1.00 65.21 O ATOM 435 CB TYR A 327 14.711 -2.053 -11.182 1.00 2.03 C ATOM 436 CG TYR A 327 13.503 -2.930 -11.415 1.00 15.30 C ATOM 437 CD1 TYR A 327 13.612 -4.102 -12.146 1.00 15.14 C ATOM 438 CD2 TYR A 327 12.264 -2.562 -10.937 1.00 22.40 C ATOM 439 CE1 TYR A 327 12.505 -4.877 -12.387 1.00 25.31 C ATOM 440 CE2 TYR A 327 11.163 -3.346 -11.178 1.00 42.42 C ATOM 441 CZ TYR A 327 11.282 -4.500 -11.903 1.00 12.12 C ATOM 442 OH TYR A 327 10.144 -5.292 -12.150 1.00 32.23 O ATOM 0 H TYR A 327 16.787 -0.822 -10.632 1.00 1.14 H new ATOM 0 HA TYR A 327 14.784 -1.966 -9.003 1.00 53.51 H new ATOM 0 HB2 TYR A 327 14.395 -1.014 -11.274 1.00 2.03 H new ATOM 0 HB3 TYR A 327 15.424 -2.242 -11.985 1.00 2.03 H new ATOM 0 HD1 TYR A 327 14.574 -4.408 -12.529 1.00 15.14 H new ATOM 0 HD2 TYR A 327 12.158 -1.650 -10.368 1.00 22.40 H new ATOM 0 HE1 TYR A 327 12.600 -5.787 -12.960 1.00 25.31 H new ATOM 0 HE2 TYR A 327 10.198 -3.050 -10.793 1.00 42.42 H new ATOM 0 HH TYR A 327 9.360 -4.877 -11.733 1.00 32.23 H new ATOM 452 N ARG A 328 16.766 -4.082 -10.676 1.00 14.23 N ATOM 453 CA ARG A 328 17.132 -5.490 -10.807 1.00 1.44 C ATOM 454 C ARG A 328 17.965 -5.959 -9.649 1.00 2.01 C ATOM 455 O ARG A 328 18.026 -7.159 -9.360 1.00 33.14 O ATOM 456 CB ARG A 328 17.865 -5.816 -12.117 1.00 60.12 C ATOM 457 CG ARG A 328 19.245 -5.173 -12.253 1.00 4.13 C ATOM 458 CD ARG A 328 20.377 -6.198 -12.131 1.00 42.02 C ATOM 459 NE ARG A 328 21.573 -5.671 -12.847 1.00 74.14 N ATOM 460 CZ ARG A 328 22.470 -4.859 -12.215 1.00 61.41 C ATOM 461 NH1 ARG A 328 22.254 -4.456 -10.918 1.00 40.03 N ATOM 462 NH2 ARG A 328 23.593 -4.459 -12.880 1.00 74.14 N ATOM 0 H ARG A 328 17.172 -3.476 -11.390 1.00 14.23 H new ATOM 0 HA ARG A 328 16.182 -6.024 -10.817 1.00 1.44 H new ATOM 0 HB2 ARG A 328 17.973 -6.898 -12.197 1.00 60.12 H new ATOM 0 HB3 ARG A 328 17.245 -5.495 -12.954 1.00 60.12 H new ATOM 0 HG2 ARG A 328 19.316 -4.670 -13.217 1.00 4.13 H new ATOM 0 HG3 ARG A 328 19.365 -4.409 -11.485 1.00 4.13 H new ATOM 0 HD2 ARG A 328 20.613 -6.379 -11.082 1.00 42.02 H new ATOM 0 HD3 ARG A 328 20.071 -7.153 -12.558 1.00 42.02 H new ATOM 0 HE ARG A 328 21.724 -5.921 -13.824 1.00 74.14 H new ATOM 0 HH11 ARG A 328 21.418 -4.764 -10.421 1.00 40.03 H new ATOM 0 HH12 ARG A 328 22.929 -3.849 -10.453 1.00 40.03 H new ATOM 0 HH21 ARG A 328 23.755 -4.767 -13.839 1.00 74.14 H new ATOM 0 HH22 ARG A 328 24.270 -3.852 -12.418 1.00 74.14 H new ATOM 476 N ALA A 329 18.634 -5.028 -8.967 1.00 34.12 N ATOM 477 CA ALA A 329 19.458 -5.400 -7.857 1.00 32.33 C ATOM 478 C ALA A 329 18.564 -5.738 -6.708 1.00 20.24 C ATOM 479 O ALA A 329 18.680 -6.805 -6.143 1.00 24.43 O ATOM 480 CB ALA A 329 20.419 -4.287 -7.388 1.00 35.35 C ATOM 0 H ALA A 329 18.611 -4.029 -9.173 1.00 34.12 H new ATOM 0 HA ALA A 329 20.071 -6.239 -8.187 1.00 32.33 H new ATOM 0 HB1 ALA A 329 21.008 -4.647 -6.544 1.00 35.35 H new ATOM 0 HB2 ALA A 329 21.086 -4.013 -8.206 1.00 35.35 H new ATOM 0 HB3 ALA A 329 19.843 -3.414 -7.082 1.00 35.35 H new ATOM 486 N LEU A 330 17.676 -4.805 -6.337 1.00 55.31 N ATOM 487 CA LEU A 330 16.830 -4.946 -5.145 1.00 12.04 C ATOM 488 C LEU A 330 15.699 -5.905 -5.441 1.00 34.21 C ATOM 489 O LEU A 330 14.773 -5.529 -6.147 1.00 64.45 O ATOM 490 CB LEU A 330 16.200 -3.571 -4.766 1.00 2.21 C ATOM 491 CG LEU A 330 15.293 -3.554 -3.514 1.00 11.05 C ATOM 492 CD1 LEU A 330 15.787 -4.461 -2.374 1.00 21.32 C ATOM 493 CD2 LEU A 330 15.026 -2.124 -3.019 1.00 35.24 C ATOM 0 H LEU A 330 17.525 -3.937 -6.851 1.00 55.31 H new ATOM 0 HA LEU A 330 17.447 -5.314 -4.326 1.00 12.04 H new ATOM 0 HB2 LEU A 330 17.008 -2.855 -4.613 1.00 2.21 H new ATOM 0 HB3 LEU A 330 15.617 -3.216 -5.616 1.00 2.21 H new ATOM 0 HG LEU A 330 14.345 -3.980 -3.841 1.00 11.05 H new ATOM 0 HD11 LEU A 330 15.098 -4.395 -1.532 1.00 21.32 H new ATOM 0 HD12 LEU A 330 15.834 -5.492 -2.724 1.00 21.32 H new ATOM 0 HD13 LEU A 330 16.779 -4.140 -2.057 1.00 21.32 H new ATOM 0 HD21 LEU A 330 14.385 -2.158 -2.138 1.00 35.24 H new ATOM 0 HD22 LEU A 330 15.971 -1.646 -2.762 1.00 35.24 H new ATOM 0 HD23 LEU A 330 14.532 -1.553 -3.805 1.00 35.24 H new ATOM 505 N PRO A 331 15.687 -7.145 -4.912 1.00 43.45 N ATOM 506 CA PRO A 331 14.543 -7.977 -5.176 1.00 14.23 C ATOM 507 C PRO A 331 13.529 -7.932 -4.052 1.00 32.41 C ATOM 508 O PRO A 331 13.761 -8.384 -2.927 1.00 72.24 O ATOM 509 CB PRO A 331 15.189 -9.376 -5.245 1.00 20.10 C ATOM 510 CG PRO A 331 16.465 -9.277 -4.361 1.00 42.23 C ATOM 511 CD PRO A 331 16.660 -7.782 -4.045 1.00 11.40 C ATOM 0 HA PRO A 331 13.993 -7.675 -6.067 1.00 14.23 H new ATOM 0 HB2 PRO A 331 14.510 -10.143 -4.872 1.00 20.10 H new ATOM 0 HB3 PRO A 331 15.440 -9.644 -6.271 1.00 20.10 H new ATOM 0 HG2 PRO A 331 16.349 -9.856 -3.445 1.00 42.23 H new ATOM 0 HG3 PRO A 331 17.332 -9.680 -4.884 1.00 42.23 H new ATOM 0 HD2 PRO A 331 16.472 -7.562 -2.994 1.00 11.40 H new ATOM 0 HD3 PRO A 331 17.675 -7.451 -4.263 1.00 11.40 H new ATOM 519 N GLU A 332 12.388 -7.383 -4.374 1.00 4.04 N ATOM 520 CA GLU A 332 11.199 -7.389 -3.578 1.00 11.33 C ATOM 521 C GLU A 332 10.184 -7.334 -4.638 1.00 1.43 C ATOM 522 O GLU A 332 10.548 -7.320 -5.808 1.00 51.41 O ATOM 523 CB GLU A 332 11.049 -6.144 -2.647 1.00 42.54 C ATOM 524 CG GLU A 332 12.060 -5.030 -2.948 1.00 31.41 C ATOM 525 CD GLU A 332 11.646 -3.773 -2.201 1.00 12.14 C ATOM 526 OE1 GLU A 332 10.543 -3.240 -2.498 1.00 22.30 O ATOM 527 OE2 GLU A 332 12.425 -3.318 -1.319 1.00 13.13 O ATOM 0 H GLU A 332 12.261 -6.889 -5.257 1.00 4.04 H new ATOM 0 HA GLU A 332 11.155 -8.234 -2.891 1.00 11.33 H new ATOM 0 HB2 GLU A 332 10.040 -5.745 -2.747 1.00 42.54 H new ATOM 0 HB3 GLU A 332 11.166 -6.459 -1.610 1.00 42.54 H new ATOM 0 HG2 GLU A 332 13.061 -5.337 -2.643 1.00 31.41 H new ATOM 0 HG3 GLU A 332 12.099 -4.836 -4.020 1.00 31.41 H new ATOM 534 N PRO A 333 8.915 -7.342 -4.316 1.00 43.41 N ATOM 535 CA PRO A 333 8.003 -6.746 -5.252 1.00 0.21 C ATOM 536 C PRO A 333 8.170 -5.258 -5.047 1.00 55.03 C ATOM 537 O PRO A 333 7.964 -4.762 -3.932 1.00 73.34 O ATOM 538 CB PRO A 333 6.602 -7.203 -4.805 1.00 53.41 C ATOM 539 CG PRO A 333 6.770 -7.707 -3.358 1.00 33.34 C ATOM 540 CD PRO A 333 8.274 -7.962 -3.145 1.00 61.22 C ATOM 0 HA PRO A 333 8.162 -7.011 -6.297 1.00 0.21 H new ATOM 0 HB2 PRO A 333 5.888 -6.381 -4.853 1.00 53.41 H new ATOM 0 HB3 PRO A 333 6.222 -7.993 -5.453 1.00 53.41 H new ATOM 0 HG2 PRO A 333 6.399 -6.969 -2.647 1.00 33.34 H new ATOM 0 HG3 PRO A 333 6.197 -8.620 -3.198 1.00 33.34 H new ATOM 0 HD2 PRO A 333 8.626 -7.515 -2.215 1.00 61.22 H new ATOM 0 HD3 PRO A 333 8.493 -9.028 -3.089 1.00 61.22 H new ATOM 548 N LYS A 334 8.555 -4.521 -6.085 1.00 63.34 N ATOM 549 CA LYS A 334 8.873 -3.132 -5.890 1.00 42.33 C ATOM 550 C LYS A 334 7.657 -2.332 -6.105 1.00 74.32 C ATOM 551 O LYS A 334 6.778 -2.680 -6.930 1.00 41.42 O ATOM 552 CB LYS A 334 9.987 -2.601 -6.824 1.00 1.23 C ATOM 553 CG LYS A 334 11.397 -3.003 -6.383 1.00 33.31 C ATOM 554 CD LYS A 334 12.180 -3.719 -7.471 1.00 65.11 C ATOM 555 CE LYS A 334 11.840 -5.200 -7.552 1.00 3.41 C ATOM 556 NZ LYS A 334 11.876 -5.680 -8.944 1.00 42.02 N ATOM 0 H LYS A 334 8.649 -4.861 -7.042 1.00 63.34 H new ATOM 0 HA LYS A 334 9.250 -3.041 -4.871 1.00 42.33 H new ATOM 0 HB2 LYS A 334 9.811 -2.972 -7.834 1.00 1.23 H new ATOM 0 HB3 LYS A 334 9.925 -1.514 -6.869 1.00 1.23 H new ATOM 0 HG2 LYS A 334 11.944 -2.111 -6.077 1.00 33.31 H new ATOM 0 HG3 LYS A 334 11.327 -3.650 -5.508 1.00 33.31 H new ATOM 0 HD2 LYS A 334 11.974 -3.249 -8.432 1.00 65.11 H new ATOM 0 HD3 LYS A 334 13.247 -3.604 -7.282 1.00 65.11 H new ATOM 0 HE2 LYS A 334 12.546 -5.771 -6.949 1.00 3.41 H new ATOM 0 HE3 LYS A 334 10.849 -5.372 -7.131 1.00 3.41 H new ATOM 0 HZ1 LYS A 334 11.211 -6.471 -9.056 1.00 42.02 H new ATOM 0 HZ2 LYS A 334 11.605 -4.907 -9.585 1.00 42.02 H new ATOM 0 HZ3 LYS A 334 12.838 -6.001 -9.176 1.00 42.02 H new ATOM 570 N LYS A 335 7.577 -1.251 -5.332 1.00 53.21 N ATOM 571 CA LYS A 335 6.514 -0.329 -5.416 1.00 2.12 C ATOM 572 C LYS A 335 7.083 0.880 -6.085 1.00 32.14 C ATOM 573 O LYS A 335 8.287 1.118 -6.061 1.00 5.11 O ATOM 574 CB LYS A 335 5.963 0.097 -4.030 1.00 11.43 C ATOM 575 CG LYS A 335 5.580 -1.090 -3.123 1.00 64.11 C ATOM 576 CD LYS A 335 4.234 -1.740 -3.497 1.00 32.13 C ATOM 577 CE LYS A 335 4.377 -3.131 -4.131 1.00 3.03 C ATOM 578 NZ LYS A 335 5.126 -4.031 -3.234 1.00 3.33 N ATOM 0 H LYS A 335 8.275 -1.013 -4.627 1.00 53.21 H new ATOM 0 HA LYS A 335 5.684 -0.786 -5.954 1.00 2.12 H new ATOM 0 HB2 LYS A 335 6.712 0.704 -3.522 1.00 11.43 H new ATOM 0 HB3 LYS A 335 5.087 0.729 -4.176 1.00 11.43 H new ATOM 0 HG2 LYS A 335 6.365 -1.844 -3.174 1.00 64.11 H new ATOM 0 HG3 LYS A 335 5.534 -0.747 -2.089 1.00 64.11 H new ATOM 0 HD2 LYS A 335 3.618 -1.820 -2.602 1.00 32.13 H new ATOM 0 HD3 LYS A 335 3.705 -1.087 -4.191 1.00 32.13 H new ATOM 0 HE2 LYS A 335 3.391 -3.548 -4.334 1.00 3.03 H new ATOM 0 HE3 LYS A 335 4.892 -3.050 -5.088 1.00 3.03 H new ATOM 0 HZ1 LYS A 335 4.637 -4.947 -3.174 1.00 3.33 H new ATOM 0 HZ2 LYS A 335 6.085 -4.175 -3.609 1.00 3.33 H new ATOM 0 HZ3 LYS A 335 5.184 -3.607 -2.286 1.00 3.33 H new ATOM 592 N CYS A 336 6.209 1.649 -6.740 1.00 61.41 N ATOM 593 CA CYS A 336 6.570 2.908 -7.376 1.00 71.43 C ATOM 594 C CYS A 336 7.131 3.801 -6.287 1.00 61.25 C ATOM 595 O CYS A 336 6.415 4.147 -5.387 1.00 34.14 O ATOM 596 CB CYS A 336 5.322 3.623 -7.955 1.00 32.33 C ATOM 597 SG CYS A 336 5.684 4.712 -9.376 1.00 64.11 S ATOM 0 H CYS A 336 5.223 1.408 -6.842 1.00 61.41 H new ATOM 0 HA CYS A 336 7.276 2.716 -8.184 1.00 71.43 H new ATOM 0 HB2 CYS A 336 4.595 2.871 -8.262 1.00 32.33 H new ATOM 0 HB3 CYS A 336 4.856 4.214 -7.167 1.00 32.33 H new ATOM 602 N PRO A 337 8.364 4.249 -6.405 1.00 34.42 N ATOM 603 CA PRO A 337 8.982 5.069 -5.351 1.00 21.33 C ATOM 604 C PRO A 337 8.318 6.407 -5.144 1.00 73.22 C ATOM 605 O PRO A 337 8.513 7.044 -4.138 1.00 63.54 O ATOM 606 CB PRO A 337 10.438 5.260 -5.803 1.00 45.24 C ATOM 607 CG PRO A 337 10.423 4.981 -7.300 1.00 3.53 C ATOM 608 CD PRO A 337 9.276 4.001 -7.531 1.00 43.01 C ATOM 0 HA PRO A 337 8.886 4.568 -4.388 1.00 21.33 H new ATOM 0 HB2 PRO A 337 10.788 6.271 -5.593 1.00 45.24 H new ATOM 0 HB3 PRO A 337 11.107 4.576 -5.280 1.00 45.24 H new ATOM 0 HG2 PRO A 337 10.272 5.900 -7.867 1.00 3.53 H new ATOM 0 HG3 PRO A 337 11.372 4.556 -7.628 1.00 3.53 H new ATOM 0 HD2 PRO A 337 8.786 4.179 -8.488 1.00 43.01 H new ATOM 0 HD3 PRO A 337 9.628 2.969 -7.540 1.00 43.01 H new ATOM 616 N ILE A 338 7.525 6.854 -6.132 1.00 63.43 N ATOM 617 CA ILE A 338 6.874 8.136 -6.022 1.00 31.43 C ATOM 618 C ILE A 338 5.485 7.948 -5.451 1.00 42.52 C ATOM 619 O ILE A 338 5.039 8.754 -4.653 1.00 3.14 O ATOM 620 CB ILE A 338 6.720 8.854 -7.366 1.00 53.34 C ATOM 621 CG1 ILE A 338 7.871 8.524 -8.335 1.00 0.02 C ATOM 622 CG2 ILE A 338 6.625 10.367 -7.113 1.00 15.10 C ATOM 623 CD1 ILE A 338 9.208 9.117 -7.907 1.00 54.23 C ATOM 0 H ILE A 338 7.332 6.345 -6.995 1.00 63.43 H new ATOM 0 HA ILE A 338 7.508 8.745 -5.377 1.00 31.43 H new ATOM 0 HB ILE A 338 5.806 8.504 -7.846 1.00 53.34 H new ATOM 0 HG12 ILE A 338 7.970 7.441 -8.415 1.00 0.02 H new ATOM 0 HG13 ILE A 338 7.618 8.895 -9.328 1.00 0.02 H new ATOM 0 HG21 ILE A 338 6.515 10.889 -8.064 1.00 15.10 H new ATOM 0 HG22 ILE A 338 5.761 10.577 -6.482 1.00 15.10 H new ATOM 0 HG23 ILE A 338 7.531 10.710 -6.614 1.00 15.10 H new ATOM 0 HD11 ILE A 338 9.975 8.847 -8.633 1.00 54.23 H new ATOM 0 HD12 ILE A 338 9.124 10.203 -7.855 1.00 54.23 H new ATOM 0 HD13 ILE A 338 9.482 8.726 -6.927 1.00 54.23 H new ATOM 635 N CYS A 339 4.783 6.839 -5.823 1.00 23.50 N ATOM 636 CA CYS A 339 3.346 6.783 -5.533 1.00 62.11 C ATOM 637 C CYS A 339 2.970 5.523 -4.756 1.00 22.20 C ATOM 638 O CYS A 339 1.821 5.344 -4.395 1.00 44.02 O ATOM 639 CB CYS A 339 2.484 6.887 -6.834 1.00 74.34 C ATOM 640 SG CYS A 339 2.463 5.357 -7.826 1.00 23.45 S ATOM 0 H CYS A 339 5.172 6.024 -6.296 1.00 23.50 H new ATOM 0 HA CYS A 339 3.127 7.648 -4.907 1.00 62.11 H new ATOM 0 HB2 CYS A 339 1.461 7.146 -6.561 1.00 74.34 H new ATOM 0 HB3 CYS A 339 2.867 7.702 -7.448 1.00 74.34 H new ATOM 645 N ARG A 340 3.934 4.606 -4.547 1.00 0.23 N ATOM 646 CA ARG A 340 3.727 3.363 -3.768 1.00 44.01 C ATOM 647 C ARG A 340 2.803 2.357 -4.456 1.00 41.33 C ATOM 648 O ARG A 340 2.401 1.379 -3.837 1.00 40.31 O ATOM 649 CB ARG A 340 3.266 3.561 -2.305 1.00 2.21 C ATOM 650 CG ARG A 340 4.019 4.672 -1.562 1.00 62.24 C ATOM 651 CD ARG A 340 5.543 4.472 -1.515 1.00 24.30 C ATOM 652 NE ARG A 340 6.134 5.735 -0.981 1.00 41.44 N ATOM 653 CZ ARG A 340 7.443 6.055 -1.219 1.00 5.34 C ATOM 654 NH1 ARG A 340 8.273 5.165 -1.850 1.00 52.12 N ATOM 655 NH2 ARG A 340 7.930 7.263 -0.801 1.00 23.13 N ATOM 0 H ARG A 340 4.881 4.703 -4.913 1.00 0.23 H new ATOM 0 HA ARG A 340 4.736 2.954 -3.729 1.00 44.01 H new ATOM 0 HB2 ARG A 340 2.200 3.790 -2.298 1.00 2.21 H new ATOM 0 HB3 ARG A 340 3.394 2.624 -1.764 1.00 2.21 H new ATOM 0 HG2 ARG A 340 3.803 5.627 -2.042 1.00 62.24 H new ATOM 0 HG3 ARG A 340 3.640 4.735 -0.542 1.00 62.24 H new ATOM 0 HD2 ARG A 340 5.801 3.626 -0.878 1.00 24.30 H new ATOM 0 HD3 ARG A 340 5.934 4.254 -2.509 1.00 24.30 H new ATOM 0 HE ARG A 340 5.554 6.368 -0.431 1.00 41.44 H new ATOM 0 HH11 ARG A 340 7.916 4.256 -2.146 1.00 52.12 H new ATOM 0 HH12 ARG A 340 9.247 5.411 -2.024 1.00 52.12 H new ATOM 0 HH21 ARG A 340 7.318 7.919 -0.315 1.00 23.13 H new ATOM 0 HH22 ARG A 340 8.905 7.508 -0.975 1.00 23.13 H new ATOM 669 N GLN A 341 2.436 2.566 -5.743 1.00 53.15 N ATOM 670 CA GLN A 341 1.630 1.554 -6.454 1.00 53.13 C ATOM 671 C GLN A 341 2.573 0.450 -6.835 1.00 72.12 C ATOM 672 O GLN A 341 3.736 0.722 -7.126 1.00 65.32 O ATOM 673 CB GLN A 341 1.072 2.052 -7.789 1.00 23.21 C ATOM 674 CG GLN A 341 -0.129 2.991 -7.687 1.00 72.31 C ATOM 675 CD GLN A 341 -0.247 3.692 -9.039 1.00 1.15 C ATOM 676 OE1 GLN A 341 0.780 3.942 -9.709 1.00 63.43 O ATOM 677 NE2 GLN A 341 -1.468 4.005 -9.465 1.00 64.15 N ATOM 0 H GLN A 341 2.675 3.393 -6.290 1.00 53.15 H new ATOM 0 HA GLN A 341 0.806 1.274 -5.798 1.00 53.13 H new ATOM 0 HB2 GLN A 341 1.869 2.565 -8.328 1.00 23.21 H new ATOM 0 HB3 GLN A 341 0.787 1.188 -8.389 1.00 23.21 H new ATOM 0 HG2 GLN A 341 -1.038 2.435 -7.458 1.00 72.31 H new ATOM 0 HG3 GLN A 341 0.012 3.716 -6.885 1.00 72.31 H new ATOM 0 HE21 GLN A 341 -2.281 3.785 -8.890 1.00 64.15 H new ATOM 0 HE22 GLN A 341 -1.591 4.465 -10.367 1.00 64.15 H new ATOM 686 N ALA A 342 2.077 -0.803 -6.847 1.00 72.33 N ATOM 687 CA ALA A 342 2.861 -1.961 -7.276 1.00 40.11 C ATOM 688 C ALA A 342 3.267 -1.770 -8.724 1.00 22.54 C ATOM 689 O ALA A 342 2.545 -1.128 -9.520 1.00 31.10 O ATOM 690 CB ALA A 342 2.093 -3.292 -7.173 1.00 13.42 C ATOM 0 H ALA A 342 1.126 -1.032 -6.560 1.00 72.33 H new ATOM 0 HA ALA A 342 3.721 -2.021 -6.609 1.00 40.11 H new ATOM 0 HB1 ALA A 342 2.733 -4.108 -7.507 1.00 13.42 H new ATOM 0 HB2 ALA A 342 1.798 -3.462 -6.138 1.00 13.42 H new ATOM 0 HB3 ALA A 342 1.204 -3.248 -7.802 1.00 13.42 H new ATOM 696 N ILE A 343 4.437 -2.326 -9.093 1.00 72.15 N ATOM 697 CA ILE A 343 4.932 -2.223 -10.442 1.00 61.45 C ATOM 698 C ILE A 343 4.351 -3.364 -11.231 1.00 71.34 C ATOM 699 O ILE A 343 4.384 -4.519 -10.805 1.00 40.31 O ATOM 700 CB ILE A 343 6.458 -2.251 -10.505 1.00 13.03 C ATOM 701 CG1 ILE A 343 7.035 -1.041 -9.755 1.00 23.30 C ATOM 702 CG2 ILE A 343 6.937 -2.273 -11.971 1.00 44.44 C ATOM 703 CD1 ILE A 343 8.506 -1.144 -9.487 1.00 45.33 C ATOM 0 H ILE A 343 5.044 -2.848 -8.461 1.00 72.15 H new ATOM 0 HA ILE A 343 4.628 -1.264 -10.861 1.00 61.45 H new ATOM 0 HB ILE A 343 6.817 -3.160 -10.022 1.00 13.03 H new ATOM 0 HG12 ILE A 343 6.843 -0.139 -10.336 1.00 23.30 H new ATOM 0 HG13 ILE A 343 6.509 -0.928 -8.807 1.00 23.30 H new ATOM 0 HG21 ILE A 343 8.026 -2.293 -11.998 1.00 44.44 H new ATOM 0 HG22 ILE A 343 6.546 -3.160 -12.468 1.00 44.44 H new ATOM 0 HG23 ILE A 343 6.578 -1.381 -12.485 1.00 44.44 H new ATOM 0 HD11 ILE A 343 8.842 -0.254 -8.955 1.00 45.33 H new ATOM 0 HD12 ILE A 343 8.704 -2.027 -8.879 1.00 45.33 H new ATOM 0 HD13 ILE A 343 9.043 -1.226 -10.432 1.00 45.33 H new ATOM 715 N THR A 344 3.816 -3.033 -12.418 1.00 34.40 N ATOM 716 CA THR A 344 3.196 -3.994 -13.276 1.00 43.12 C ATOM 717 C THR A 344 4.220 -4.391 -14.332 1.00 75.41 C ATOM 718 O THR A 344 4.299 -5.557 -14.726 1.00 13.44 O ATOM 719 CB THR A 344 1.966 -3.395 -13.923 1.00 21.25 C ATOM 720 OG1 THR A 344 0.968 -3.135 -12.941 1.00 55.15 O ATOM 721 CG2 THR A 344 1.427 -4.296 -15.022 1.00 63.24 C ATOM 0 H THR A 344 3.813 -2.083 -12.789 1.00 34.40 H new ATOM 0 HA THR A 344 2.878 -4.870 -12.711 1.00 43.12 H new ATOM 0 HB THR A 344 2.251 -2.450 -14.385 1.00 21.25 H new ATOM 0 HG1 THR A 344 0.178 -2.746 -13.372 1.00 55.15 H new ATOM 0 HG21 THR A 344 0.544 -3.838 -15.467 1.00 63.24 H new ATOM 0 HG22 THR A 344 2.190 -4.432 -15.788 1.00 63.24 H new ATOM 0 HG23 THR A 344 1.160 -5.265 -14.600 1.00 63.24 H new ATOM 729 N ARG A 345 5.072 -3.446 -14.731 1.00 24.51 N ATOM 730 CA ARG A 345 6.066 -3.729 -15.738 1.00 0.13 C ATOM 731 C ARG A 345 7.064 -2.646 -15.656 1.00 24.52 C ATOM 732 O ARG A 345 6.817 -1.625 -15.031 1.00 52.01 O ATOM 733 CB ARG A 345 5.495 -3.765 -17.185 1.00 40.52 C ATOM 734 CG ARG A 345 5.837 -5.040 -17.941 1.00 75.14 C ATOM 735 CD ARG A 345 6.077 -4.811 -19.436 1.00 64.11 C ATOM 736 NE ARG A 345 7.450 -4.246 -19.600 1.00 73.23 N ATOM 737 CZ ARG A 345 8.159 -4.423 -20.764 1.00 42.14 C ATOM 738 NH1 ARG A 345 7.613 -5.110 -21.821 1.00 41.43 N ATOM 739 NH2 ARG A 345 9.418 -3.912 -20.859 1.00 4.44 N ATOM 0 H ARG A 345 5.086 -2.492 -14.371 1.00 24.51 H new ATOM 0 HA ARG A 345 6.480 -4.719 -15.545 1.00 0.13 H new ATOM 0 HB2 ARG A 345 4.411 -3.657 -17.142 1.00 40.52 H new ATOM 0 HB3 ARG A 345 5.879 -2.909 -17.740 1.00 40.52 H new ATOM 0 HG2 ARG A 345 6.728 -5.487 -17.501 1.00 75.14 H new ATOM 0 HG3 ARG A 345 5.026 -5.757 -17.816 1.00 75.14 H new ATOM 0 HD2 ARG A 345 5.982 -5.748 -19.985 1.00 64.11 H new ATOM 0 HD3 ARG A 345 5.332 -4.126 -19.841 1.00 64.11 H new ATOM 0 HE ARG A 345 7.869 -3.719 -18.834 1.00 73.23 H new ATOM 0 HH11 ARG A 345 6.671 -5.495 -21.747 1.00 41.43 H new ATOM 0 HH12 ARG A 345 8.149 -5.235 -22.680 1.00 41.43 H new ATOM 0 HH21 ARG A 345 9.823 -3.405 -20.072 1.00 4.44 H new ATOM 0 HH22 ARG A 345 9.955 -4.036 -21.717 1.00 4.44 H new ATOM 753 N VAL A 346 8.233 -2.861 -16.252 1.00 34.30 N ATOM 754 CA VAL A 346 9.242 -1.849 -16.269 1.00 20.22 C ATOM 755 C VAL A 346 9.675 -1.690 -17.692 1.00 64.23 C ATOM 756 O VAL A 346 10.023 -2.654 -18.368 1.00 41.44 O ATOM 757 CB VAL A 346 10.439 -2.162 -15.366 1.00 22.53 C ATOM 758 CG1 VAL A 346 11.008 -3.563 -15.678 1.00 40.31 C ATOM 759 CG2 VAL A 346 11.494 -1.041 -15.475 1.00 44.52 C ATOM 0 H VAL A 346 8.489 -3.729 -16.723 1.00 34.30 H new ATOM 0 HA VAL A 346 8.824 -0.926 -15.868 1.00 20.22 H new ATOM 0 HB VAL A 346 10.113 -2.190 -14.326 1.00 22.53 H new ATOM 0 HG11 VAL A 346 11.857 -3.764 -15.025 1.00 40.31 H new ATOM 0 HG12 VAL A 346 10.236 -4.314 -15.512 1.00 40.31 H new ATOM 0 HG13 VAL A 346 11.333 -3.600 -16.718 1.00 40.31 H new ATOM 0 HG21 VAL A 346 12.340 -1.274 -14.829 1.00 44.52 H new ATOM 0 HG22 VAL A 346 11.836 -0.962 -16.507 1.00 44.52 H new ATOM 0 HG23 VAL A 346 11.052 -0.094 -15.166 1.00 44.52 H new ATOM 769 N ILE A 347 9.608 -0.454 -18.179 1.00 42.12 N ATOM 770 CA ILE A 347 10.022 -0.138 -19.504 1.00 60.23 C ATOM 771 C ILE A 347 11.366 0.538 -19.342 1.00 63.13 C ATOM 772 O ILE A 347 11.456 1.634 -18.780 1.00 53.02 O ATOM 773 CB ILE A 347 9.078 0.839 -20.197 1.00 15.40 C ATOM 774 CG1 ILE A 347 7.599 0.450 -19.966 1.00 12.44 C ATOM 775 CG2 ILE A 347 9.419 0.880 -21.686 1.00 1.03 C ATOM 776 CD1 ILE A 347 6.851 1.463 -19.127 1.00 60.32 C ATOM 0 H ILE A 347 9.261 0.345 -17.648 1.00 42.12 H new ATOM 0 HA ILE A 347 10.044 -1.042 -20.113 1.00 60.23 H new ATOM 0 HB ILE A 347 9.209 1.834 -19.771 1.00 15.40 H new ATOM 0 HG12 ILE A 347 7.101 0.344 -20.930 1.00 12.44 H new ATOM 0 HG13 ILE A 347 7.556 -0.523 -19.477 1.00 12.44 H new ATOM 0 HG21 ILE A 347 8.751 1.576 -22.193 1.00 1.03 H new ATOM 0 HG22 ILE A 347 10.450 1.209 -21.814 1.00 1.03 H new ATOM 0 HG23 ILE A 347 9.300 -0.115 -22.114 1.00 1.03 H new ATOM 0 HD11 ILE A 347 5.819 1.137 -18.998 1.00 60.32 H new ATOM 0 HD12 ILE A 347 7.328 1.551 -18.151 1.00 60.32 H new ATOM 0 HD13 ILE A 347 6.866 2.432 -19.627 1.00 60.32 H new ATOM 788 N PRO A 348 12.434 -0.100 -19.801 1.00 41.14 N ATOM 789 CA PRO A 348 13.751 0.476 -19.671 1.00 43.13 C ATOM 790 C PRO A 348 14.045 1.512 -20.697 1.00 35.30 C ATOM 791 O PRO A 348 13.510 1.487 -21.821 1.00 25.30 O ATOM 792 CB PRO A 348 14.723 -0.701 -19.820 1.00 53.14 C ATOM 793 CG PRO A 348 13.935 -1.805 -20.536 1.00 51.43 C ATOM 794 CD PRO A 348 12.452 -1.410 -20.478 1.00 51.21 C ATOM 0 HA PRO A 348 13.840 0.989 -18.713 1.00 43.13 H new ATOM 0 HB2 PRO A 348 15.602 -0.412 -20.396 1.00 53.14 H new ATOM 0 HB3 PRO A 348 15.077 -1.041 -18.847 1.00 53.14 H new ATOM 0 HG2 PRO A 348 14.267 -1.907 -21.569 1.00 51.43 H new ATOM 0 HG3 PRO A 348 14.096 -2.769 -20.053 1.00 51.43 H new ATOM 0 HD2 PRO A 348 12.021 -1.344 -21.477 1.00 51.21 H new ATOM 0 HD3 PRO A 348 11.868 -2.147 -19.927 1.00 51.21 H new ATOM 802 N LEU A 349 14.907 2.442 -20.323 1.00 53.12 N ATOM 803 CA LEU A 349 15.397 3.433 -21.209 1.00 21.10 C ATOM 804 C LEU A 349 16.833 3.080 -21.220 1.00 60.53 C ATOM 805 O LEU A 349 17.375 2.721 -20.178 1.00 41.33 O ATOM 806 CB LEU A 349 15.275 4.895 -20.678 1.00 23.30 C ATOM 807 CG LEU A 349 13.890 5.595 -20.885 1.00 64.42 C ATOM 808 CD1 LEU A 349 12.722 4.640 -21.159 1.00 32.20 C ATOM 809 CD2 LEU A 349 13.558 6.572 -19.745 1.00 2.21 C ATOM 0 H LEU A 349 15.280 2.514 -19.376 1.00 53.12 H new ATOM 0 HA LEU A 349 14.857 3.434 -22.156 1.00 21.10 H new ATOM 0 HB2 LEU A 349 15.501 4.892 -19.612 1.00 23.30 H new ATOM 0 HB3 LEU A 349 16.040 5.500 -21.164 1.00 23.30 H new ATOM 0 HG LEU A 349 14.013 6.169 -21.803 1.00 64.42 H new ATOM 0 HD11 LEU A 349 11.805 5.215 -21.289 1.00 32.20 H new ATOM 0 HD12 LEU A 349 12.924 4.069 -22.065 1.00 32.20 H new ATOM 0 HD13 LEU A 349 12.606 3.957 -20.318 1.00 32.20 H new ATOM 0 HD21 LEU A 349 12.588 7.033 -19.932 1.00 2.21 H new ATOM 0 HD22 LEU A 349 13.526 6.031 -18.800 1.00 2.21 H new ATOM 0 HD23 LEU A 349 14.324 7.346 -19.694 1.00 2.21 H new ATOM 821 N TYR A 350 17.489 3.159 -22.357 1.00 0.44 N ATOM 822 CA TYR A 350 18.885 2.794 -22.421 1.00 72.32 C ATOM 823 C TYR A 350 19.670 4.030 -22.161 1.00 45.21 C ATOM 824 O TYR A 350 19.835 4.885 -23.038 1.00 60.21 O ATOM 825 CB TYR A 350 19.313 2.212 -23.793 1.00 4.41 C ATOM 826 CG TYR A 350 19.109 0.727 -23.878 1.00 12.51 C ATOM 827 CD1 TYR A 350 20.095 -0.140 -23.448 1.00 71.23 C ATOM 828 CD2 TYR A 350 17.928 0.203 -24.367 1.00 43.54 C ATOM 829 CE1 TYR A 350 19.904 -1.495 -23.505 1.00 4.31 C ATOM 830 CE2 TYR A 350 17.741 -1.154 -24.425 1.00 43.21 C ATOM 831 CZ TYR A 350 18.728 -2.005 -23.994 1.00 41.13 C ATOM 832 OH TYR A 350 18.531 -3.402 -24.044 1.00 34.11 O ATOM 0 H TYR A 350 17.083 3.469 -23.240 1.00 0.44 H new ATOM 0 HA TYR A 350 19.065 2.011 -21.685 1.00 72.32 H new ATOM 0 HB2 TYR A 350 18.743 2.699 -24.584 1.00 4.41 H new ATOM 0 HB3 TYR A 350 20.364 2.442 -23.969 1.00 4.41 H new ATOM 0 HD1 TYR A 350 21.024 0.254 -23.064 1.00 71.23 H new ATOM 0 HD2 TYR A 350 17.147 0.867 -24.706 1.00 43.54 H new ATOM 0 HE1 TYR A 350 20.681 -2.163 -23.164 1.00 4.31 H new ATOM 0 HE2 TYR A 350 16.815 -1.554 -24.811 1.00 43.21 H new ATOM 0 HH TYR A 350 17.645 -3.594 -24.416 1.00 34.11 H new ATOM 842 N ASN A 351 20.137 4.164 -20.925 1.00 24.45 N ATOM 843 CA ASN A 351 20.923 5.283 -20.524 1.00 20.31 C ATOM 844 C ASN A 351 21.759 4.767 -19.386 1.00 73.13 C ATOM 845 O ASN A 351 22.662 3.970 -19.604 1.00 32.42 O ATOM 846 CB ASN A 351 20.081 6.526 -20.085 1.00 63.41 C ATOM 847 CG ASN A 351 20.912 7.802 -19.917 1.00 2.31 C ATOM 848 OD1 ASN A 351 22.135 7.757 -19.845 1.00 43.02 O ATOM 849 ND2 ASN A 351 20.236 8.968 -19.847 1.00 13.00 N ATOM 0 H ASN A 351 19.970 3.485 -20.182 1.00 24.45 H new ATOM 0 HA ASN A 351 21.514 5.653 -21.362 1.00 20.31 H new ATOM 0 HB2 ASN A 351 19.301 6.705 -20.825 1.00 63.41 H new ATOM 0 HB3 ASN A 351 19.581 6.301 -19.143 1.00 63.41 H new ATOM 0 HD21 ASN A 351 20.743 9.845 -19.731 1.00 13.00 H new ATOM 0 HD22 ASN A 351 19.218 8.972 -19.910 1.00 13.00 H new ATOM 856 N SER A 352 21.434 5.134 -18.141 1.00 51.13 N ATOM 857 CA SER A 352 22.245 4.717 -17.023 1.00 4.42 C ATOM 858 C SER A 352 21.734 3.336 -16.537 1.00 21.35 C ATOM 859 O SER A 352 20.725 3.303 -15.741 1.00 0.00 O ATOM 860 CB SER A 352 22.198 5.713 -15.840 1.00 40.32 C ATOM 861 OG SER A 352 22.273 7.067 -16.321 1.00 71.31 O ATOM 862 OXT SER A 352 22.350 2.294 -16.938 1.00 0.00 O ATOM 0 H SER A 352 20.627 5.709 -17.898 1.00 51.13 H new ATOM 0 HA SER A 352 23.279 4.670 -17.363 1.00 4.42 H new ATOM 0 HB2 SER A 352 21.277 5.572 -15.274 1.00 40.32 H new ATOM 0 HB3 SER A 352 23.025 5.516 -15.158 1.00 40.32 H new ATOM 0 HG SER A 352 22.844 7.595 -15.725 1.00 71.31 H new TER 868 SER A 352 HETATM 869 ZN ZN A 500 19.343 3.978 -9.088 1.00 0.00 ZN HETATM 870 ZN ZN A 501 3.667 5.820 -9.817 1.00 0.00 ZN