USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 584 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 362 ASN : amide:sc= 0.759 K(o=1.7,f=-2.3!) USER MOD Set 1.2: A 363 SER OG : rot 80:sc= 0.963 USER MOD Single : A 289 HIS : no HE2:sc= -5.81! C(o=-5.8!,f=-13!) USER MOD Single : A 290 CYS SG : rot -26:sc= -0.0895 USER MOD Single : A 292 HIS : no HE2:sc= 0.174 K(o=0.17,f=-6.9!) USER MOD Single : A 293 MET CE :methyl -151:sc= -1.87 (180deg=-4.11!) USER MOD Single : A 298 TYR OH : rot 180:sc= 0 USER MOD Single : A 299 LYS NZ :NH3+ 175:sc= 1.08 (180deg=0.79) USER MOD Single : A 301 THR OG1 : rot 180:sc= 0.287 USER MOD Single : A 303 ASN : amide:sc= 1.18 K(o=1.2,f=-0.0057) USER MOD Single : A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 307 ASN : amide:sc= 0.629 K(o=0.63,f=0) USER MOD Single : A 310 SER OG : rot -61:sc= 0.482 USER MOD Single : A 313 ASN : amide:sc= 0.163 X(o=0.16,f=0) USER MOD Single : A 318 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.44) USER MOD Single : A 328 THR OG1 : rot -87:sc= 1.03 USER MOD Single : A 337 THR OG1 : rot -41:sc= 1.23 USER MOD Single : A 338 HIS : no HD1:sc=-0.000499 X(o=-0.0005,f=-0.011) USER MOD Single : A 345 MET CE :methyl -104:sc= -2.27 (180deg=-6.69!) USER MOD Single : A 346 SER OG : rot -113:sc= 0.904 USER MOD Single : A 347 LYS NZ :NH3+ 159:sc= 0.229 (180deg=-1.24) USER MOD Single : A 351 ASN : amide:sc= 1.6 K(o=1.6,f=-0.53) USER MOD Single : A 352 MET CE :methyl 168:sc=-0.00137 (180deg=-0.158) USER MOD Single : A 353 GLN : amide:sc= -0.0297 X(o=-0.03,f=-0.4) USER MOD Single : A 354 HIS : no HD1:sc= -0.0669 X(o=-0.067,f=-0.33) USER MOD Single : A 356 TYR OH : rot 15:sc= 1.19 USER MOD Single : A 364 THR OG1 : rot 180:sc= 0 USER MOD Single : A 365 THR OG1 : rot 152:sc= 0.385 USER MOD ----------------------------------------------------------------- ATOM 22 N HIS A 289 0.270 11.798 6.104 1.00 0.00 N ATOM 23 CA HIS A 289 1.077 11.491 4.917 1.00 0.00 C ATOM 24 C HIS A 289 0.297 10.698 3.853 1.00 0.00 C ATOM 25 O HIS A 289 -0.810 10.252 4.150 1.00 0.00 O ATOM 26 CB HIS A 289 2.185 10.573 5.440 1.00 0.00 C ATOM 27 CG HIS A 289 3.401 10.525 4.575 1.00 0.00 C ATOM 28 ND1 HIS A 289 4.374 11.484 4.470 1.00 0.00 N ATOM 29 CD2 HIS A 289 3.781 9.468 3.809 1.00 0.00 C ATOM 30 CE1 HIS A 289 5.339 11.008 3.669 1.00 0.00 C ATOM 31 NE2 HIS A 289 5.011 9.788 3.229 1.00 0.00 N ATOM 0 HA HIS A 289 1.417 12.415 4.449 1.00 0.00 H new ATOM 0 HB2 HIS A 289 2.475 10.904 6.437 1.00 0.00 H new ATOM 0 HB3 HIS A 289 1.786 9.564 5.543 1.00 0.00 H new ATOM 0 HD1 HIS A 289 4.366 12.399 4.921 1.00 0.00 H new ATOM 0 HD2 HIS A 289 3.232 8.548 3.673 1.00 0.00 H new ATOM 0 HE1 HIS A 289 6.248 11.533 3.416 1.00 0.00 H new ATOM 39 N CYS A 290 0.899 10.367 2.700 1.00 0.00 N ATOM 40 CA CYS A 290 0.405 9.255 1.877 1.00 0.00 C ATOM 41 C CYS A 290 1.494 8.419 1.170 1.00 0.00 C ATOM 42 O CYS A 290 2.618 8.881 0.970 1.00 0.00 O ATOM 43 CB CYS A 290 -0.581 9.738 0.792 1.00 0.00 C ATOM 44 SG CYS A 290 -1.675 11.124 1.243 1.00 0.00 S ATOM 0 H CYS A 290 1.716 10.846 2.322 1.00 0.00 H new ATOM 0 HA CYS A 290 -0.085 8.612 2.608 1.00 0.00 H new ATOM 0 HB2 CYS A 290 -0.005 10.030 -0.086 1.00 0.00 H new ATOM 0 HB3 CYS A 290 -1.204 8.894 0.498 1.00 0.00 H new ATOM 0 HG CYS A 290 -1.841 11.144 2.532 1.00 0.00 H new ATOM 50 N VAL A 291 1.137 7.204 0.721 1.00 0.00 N ATOM 51 CA VAL A 291 2.016 6.258 0.002 1.00 0.00 C ATOM 52 C VAL A 291 1.237 5.583 -1.119 1.00 0.00 C ATOM 53 O VAL A 291 0.059 5.277 -0.962 1.00 0.00 O ATOM 54 CB VAL A 291 2.602 5.171 0.927 1.00 0.00 C ATOM 55 CG1 VAL A 291 3.858 4.520 0.340 1.00 0.00 C ATOM 56 CG2 VAL A 291 3.035 5.772 2.253 1.00 0.00 C ATOM 0 H VAL A 291 0.194 6.837 0.852 1.00 0.00 H new ATOM 0 HA VAL A 291 2.847 6.839 -0.398 1.00 0.00 H new ATOM 0 HB VAL A 291 1.809 4.433 1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 291 4.231 3.762 1.029 1.00 0.00 H new ATOM 0 HG12 VAL A 291 3.614 4.054 -0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 291 4.624 5.280 0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 291 3.445 4.989 2.891 1.00 0.00 H new ATOM 0 HG22 VAL A 291 3.796 6.532 2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 291 2.175 6.227 2.745 1.00 0.00 H new ATOM 66 N HIS A 292 1.909 5.358 -2.241 1.00 0.00 N ATOM 67 CA HIS A 292 1.336 4.937 -3.515 1.00 0.00 C ATOM 68 C HIS A 292 1.671 3.469 -3.820 1.00 0.00 C ATOM 69 O HIS A 292 2.701 2.956 -3.370 1.00 0.00 O ATOM 70 CB HIS A 292 1.914 5.897 -4.565 1.00 0.00 C ATOM 71 CG HIS A 292 1.567 5.559 -5.978 1.00 0.00 C ATOM 72 ND1 HIS A 292 0.313 5.288 -6.474 1.00 0.00 N ATOM 73 CD2 HIS A 292 2.468 5.396 -6.992 1.00 0.00 C ATOM 74 CE1 HIS A 292 0.464 4.909 -7.753 1.00 0.00 C ATOM 75 NE2 HIS A 292 1.756 4.989 -8.121 1.00 0.00 N ATOM 0 H HIS A 292 2.922 5.470 -2.290 1.00 0.00 H new ATOM 0 HA HIS A 292 0.247 4.983 -3.505 1.00 0.00 H new ATOM 0 HB2 HIS A 292 1.560 6.905 -4.350 1.00 0.00 H new ATOM 0 HB3 HIS A 292 2.999 5.912 -4.465 1.00 0.00 H new ATOM 0 HD1 HIS A 292 -0.568 5.361 -5.965 1.00 0.00 H new ATOM 0 HD2 HIS A 292 3.535 5.553 -6.931 1.00 0.00 H new ATOM 0 HE1 HIS A 292 -0.340 4.585 -8.397 1.00 0.00 H new ATOM 83 N MET A 293 0.792 2.797 -4.573 1.00 0.00 N ATOM 84 CA MET A 293 0.841 1.365 -4.866 1.00 0.00 C ATOM 85 C MET A 293 0.382 1.072 -6.284 1.00 0.00 C ATOM 86 O MET A 293 -0.694 1.530 -6.684 1.00 0.00 O ATOM 87 CB MET A 293 -0.112 0.581 -3.965 1.00 0.00 C ATOM 88 CG MET A 293 -0.090 1.051 -2.526 1.00 0.00 C ATOM 89 SD MET A 293 -1.129 0.002 -1.503 1.00 0.00 S ATOM 90 CE MET A 293 -0.014 -1.413 -1.322 1.00 0.00 C ATOM 0 H MET A 293 -0.005 3.258 -5.012 1.00 0.00 H new ATOM 0 HA MET A 293 1.879 1.070 -4.711 1.00 0.00 H new ATOM 0 HB2 MET A 293 -1.126 0.670 -4.354 1.00 0.00 H new ATOM 0 HB3 MET A 293 0.152 -0.476 -4.000 1.00 0.00 H new ATOM 0 HG2 MET A 293 0.933 1.038 -2.149 1.00 0.00 H new ATOM 0 HG3 MET A 293 -0.437 2.083 -2.469 1.00 0.00 H new ATOM 0 HE1 MET A 293 -0.599 -2.323 -1.191 1.00 0.00 H new ATOM 0 HE2 MET A 293 0.605 -1.505 -2.214 1.00 0.00 H new ATOM 0 HE3 MET A 293 0.625 -1.264 -0.451 1.00 0.00 H new ATOM 100 N ARG A 294 1.127 0.227 -7.003 1.00 0.00 N ATOM 101 CA ARG A 294 0.664 -0.333 -8.285 1.00 0.00 C ATOM 102 C ARG A 294 1.049 -1.800 -8.481 1.00 0.00 C ATOM 103 O ARG A 294 2.198 -2.186 -8.264 1.00 0.00 O ATOM 104 CB ARG A 294 1.132 0.537 -9.464 1.00 0.00 C ATOM 105 CG ARG A 294 0.628 1.981 -9.414 1.00 0.00 C ATOM 106 CD ARG A 294 1.215 2.807 -10.572 1.00 0.00 C ATOM 107 NE ARG A 294 2.593 3.232 -10.261 1.00 0.00 N ATOM 108 CZ ARG A 294 3.732 2.649 -10.582 1.00 0.00 C ATOM 109 NH1 ARG A 294 3.823 1.681 -11.444 1.00 0.00 N ATOM 110 NH2 ARG A 294 4.846 2.999 -10.015 1.00 0.00 N ATOM 0 H ARG A 294 2.056 -0.087 -6.722 1.00 0.00 H new ATOM 0 HA ARG A 294 -0.425 -0.316 -8.254 1.00 0.00 H new ATOM 0 HB2 ARG A 294 2.222 0.544 -9.486 1.00 0.00 H new ATOM 0 HB3 ARG A 294 0.798 0.079 -10.395 1.00 0.00 H new ATOM 0 HG2 ARG A 294 -0.461 1.993 -9.469 1.00 0.00 H new ATOM 0 HG3 ARG A 294 0.904 2.434 -8.462 1.00 0.00 H new ATOM 0 HD2 ARG A 294 1.209 2.215 -11.487 1.00 0.00 H new ATOM 0 HD3 ARG A 294 0.591 3.682 -10.754 1.00 0.00 H new ATOM 0 HE ARG A 294 2.677 4.095 -9.724 1.00 0.00 H new ATOM 0 HH11 ARG A 294 2.986 1.334 -11.912 1.00 0.00 H new ATOM 0 HH12 ARG A 294 4.732 1.268 -11.653 1.00 0.00 H new ATOM 0 HH21 ARG A 294 4.850 3.735 -9.309 1.00 0.00 H new ATOM 0 HH22 ARG A 294 5.718 2.538 -10.275 1.00 0.00 H new ATOM 124 N GLY A 295 0.068 -2.605 -8.886 1.00 0.00 N ATOM 125 CA GLY A 295 0.215 -4.019 -9.256 1.00 0.00 C ATOM 126 C GLY A 295 -0.546 -4.993 -8.347 1.00 0.00 C ATOM 127 O GLY A 295 -0.248 -6.189 -8.366 1.00 0.00 O ATOM 0 H GLY A 295 -0.895 -2.279 -8.970 1.00 0.00 H new ATOM 0 HA2 GLY A 295 -0.131 -4.152 -10.281 1.00 0.00 H new ATOM 0 HA3 GLY A 295 1.274 -4.278 -9.241 1.00 0.00 H new ATOM 131 N LEU A 296 -1.469 -4.496 -7.511 1.00 0.00 N ATOM 132 CA LEU A 296 -2.191 -5.292 -6.507 1.00 0.00 C ATOM 133 C LEU A 296 -2.868 -6.546 -7.117 1.00 0.00 C ATOM 134 O LEU A 296 -3.488 -6.464 -8.182 1.00 0.00 O ATOM 135 CB LEU A 296 -3.221 -4.426 -5.766 1.00 0.00 C ATOM 136 CG LEU A 296 -2.748 -3.101 -5.143 1.00 0.00 C ATOM 137 CD1 LEU A 296 -3.937 -2.424 -4.466 1.00 0.00 C ATOM 138 CD2 LEU A 296 -1.676 -3.321 -4.080 1.00 0.00 C ATOM 0 H LEU A 296 -1.740 -3.513 -7.513 1.00 0.00 H new ATOM 0 HA LEU A 296 -1.449 -5.648 -5.792 1.00 0.00 H new ATOM 0 HB2 LEU A 296 -4.026 -4.196 -6.464 1.00 0.00 H new ATOM 0 HB3 LEU A 296 -3.653 -5.032 -4.970 1.00 0.00 H new ATOM 0 HG LEU A 296 -2.331 -2.490 -5.943 1.00 0.00 H new ATOM 0 HD11 LEU A 296 -3.615 -1.483 -4.020 1.00 0.00 H new ATOM 0 HD12 LEU A 296 -4.714 -2.228 -5.205 1.00 0.00 H new ATOM 0 HD13 LEU A 296 -4.333 -3.077 -3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 296 -1.371 -2.360 -3.667 1.00 0.00 H new ATOM 0 HD22 LEU A 296 -2.077 -3.948 -3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 296 -0.813 -3.813 -4.530 1.00 0.00 H new ATOM 150 N PRO A 297 -2.786 -7.714 -6.452 1.00 0.00 N ATOM 151 CA PRO A 297 -2.938 -9.037 -7.091 1.00 0.00 C ATOM 152 C PRO A 297 -4.380 -9.584 -7.203 1.00 0.00 C ATOM 153 O PRO A 297 -4.577 -10.790 -7.062 1.00 0.00 O ATOM 154 CB PRO A 297 -2.093 -9.948 -6.188 1.00 0.00 C ATOM 155 CG PRO A 297 -2.462 -9.370 -4.826 1.00 0.00 C ATOM 156 CD PRO A 297 -2.230 -7.897 -5.110 1.00 0.00 C ATOM 0 HA PRO A 297 -2.630 -8.981 -8.135 1.00 0.00 H new ATOM 0 HB2 PRO A 297 -2.364 -10.999 -6.284 1.00 0.00 H new ATOM 0 HB3 PRO A 297 -1.026 -9.873 -6.399 1.00 0.00 H new ATOM 0 HG2 PRO A 297 -3.493 -9.585 -4.545 1.00 0.00 H new ATOM 0 HG3 PRO A 297 -1.827 -9.747 -4.024 1.00 0.00 H new ATOM 0 HD2 PRO A 297 -2.732 -7.264 -4.378 1.00 0.00 H new ATOM 0 HD3 PRO A 297 -1.170 -7.644 -5.077 1.00 0.00 H new ATOM 164 N TYR A 298 -5.410 -8.747 -7.341 1.00 0.00 N ATOM 165 CA TYR A 298 -6.845 -9.105 -7.209 1.00 0.00 C ATOM 166 C TYR A 298 -7.296 -9.516 -5.786 1.00 0.00 C ATOM 167 O TYR A 298 -8.407 -9.177 -5.385 1.00 0.00 O ATOM 168 CB TYR A 298 -7.305 -10.128 -8.283 1.00 0.00 C ATOM 169 CG TYR A 298 -8.007 -11.364 -7.722 1.00 0.00 C ATOM 170 CD1 TYR A 298 -7.254 -12.474 -7.285 1.00 0.00 C ATOM 171 CD2 TYR A 298 -9.400 -11.345 -7.507 1.00 0.00 C ATOM 172 CE1 TYR A 298 -7.869 -13.521 -6.574 1.00 0.00 C ATOM 173 CE2 TYR A 298 -10.027 -12.406 -6.823 1.00 0.00 C ATOM 174 CZ TYR A 298 -9.261 -13.489 -6.340 1.00 0.00 C ATOM 175 OH TYR A 298 -9.868 -14.489 -5.644 1.00 0.00 O ATOM 0 H TYR A 298 -5.274 -7.759 -7.556 1.00 0.00 H new ATOM 0 HA TYR A 298 -7.366 -8.166 -7.399 1.00 0.00 H new ATOM 0 HB2 TYR A 298 -7.979 -9.627 -8.978 1.00 0.00 H new ATOM 0 HB3 TYR A 298 -6.436 -10.449 -8.857 1.00 0.00 H new ATOM 0 HD1 TYR A 298 -6.196 -12.521 -7.498 1.00 0.00 H new ATOM 0 HD2 TYR A 298 -9.989 -10.515 -7.868 1.00 0.00 H new ATOM 0 HE1 TYR A 298 -7.278 -14.347 -6.208 1.00 0.00 H new ATOM 0 HE2 TYR A 298 -11.096 -12.390 -6.668 1.00 0.00 H new ATOM 0 HH TYR A 298 -10.828 -14.304 -5.576 1.00 0.00 H new ATOM 185 N LYS A 299 -6.471 -10.195 -4.976 1.00 0.00 N ATOM 186 CA LYS A 299 -6.807 -10.506 -3.569 1.00 0.00 C ATOM 187 C LYS A 299 -6.673 -9.316 -2.605 1.00 0.00 C ATOM 188 O LYS A 299 -7.065 -9.432 -1.445 1.00 0.00 O ATOM 189 CB LYS A 299 -6.122 -11.805 -3.093 1.00 0.00 C ATOM 190 CG LYS A 299 -4.614 -11.961 -3.346 1.00 0.00 C ATOM 191 CD LYS A 299 -3.666 -11.549 -2.206 1.00 0.00 C ATOM 192 CE LYS A 299 -3.724 -10.086 -1.750 1.00 0.00 C ATOM 193 NZ LYS A 299 -2.613 -9.734 -0.827 1.00 0.00 N ATOM 0 H LYS A 299 -5.558 -10.544 -5.269 1.00 0.00 H new ATOM 0 HA LYS A 299 -7.878 -10.708 -3.547 1.00 0.00 H new ATOM 0 HB2 LYS A 299 -6.292 -11.898 -2.020 1.00 0.00 H new ATOM 0 HB3 LYS A 299 -6.629 -12.644 -3.570 1.00 0.00 H new ATOM 0 HG2 LYS A 299 -4.418 -13.005 -3.588 1.00 0.00 H new ATOM 0 HG3 LYS A 299 -4.357 -11.375 -4.228 1.00 0.00 H new ATOM 0 HD2 LYS A 299 -3.877 -12.182 -1.344 1.00 0.00 H new ATOM 0 HD3 LYS A 299 -2.645 -11.767 -2.519 1.00 0.00 H new ATOM 0 HE2 LYS A 299 -3.687 -9.435 -2.623 1.00 0.00 H new ATOM 0 HE3 LYS A 299 -4.677 -9.901 -1.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 299 -2.647 -8.716 -0.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 299 -2.710 -10.275 0.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 299 -1.703 -9.964 -1.275 1.00 0.00 H new ATOM 207 N ALA A 300 -6.111 -8.185 -3.050 1.00 0.00 N ATOM 208 CA ALA A 300 -5.981 -6.969 -2.257 1.00 0.00 C ATOM 209 C ALA A 300 -7.318 -6.396 -1.736 1.00 0.00 C ATOM 210 O ALA A 300 -8.402 -6.583 -2.295 1.00 0.00 O ATOM 211 CB ALA A 300 -5.190 -5.932 -3.060 1.00 0.00 C ATOM 0 H ALA A 300 -5.728 -8.094 -3.991 1.00 0.00 H new ATOM 0 HA ALA A 300 -5.438 -7.234 -1.350 1.00 0.00 H new ATOM 0 HB1 ALA A 300 -5.088 -5.019 -2.474 1.00 0.00 H new ATOM 0 HB2 ALA A 300 -4.201 -6.328 -3.291 1.00 0.00 H new ATOM 0 HB3 ALA A 300 -5.718 -5.711 -3.988 1.00 0.00 H new ATOM 217 N THR A 301 -7.170 -5.646 -0.650 1.00 0.00 N ATOM 218 CA THR A 301 -8.129 -4.850 0.123 1.00 0.00 C ATOM 219 C THR A 301 -7.370 -3.745 0.816 1.00 0.00 C ATOM 220 O THR A 301 -6.173 -3.883 1.012 1.00 0.00 O ATOM 221 CB THR A 301 -8.807 -5.630 1.263 1.00 0.00 C ATOM 222 OG1 THR A 301 -8.993 -7.005 1.001 1.00 0.00 O ATOM 223 CG2 THR A 301 -10.170 -5.039 1.538 1.00 0.00 C ATOM 0 H THR A 301 -6.244 -5.569 -0.229 1.00 0.00 H new ATOM 0 HA THR A 301 -8.885 -4.515 -0.587 1.00 0.00 H new ATOM 0 HB THR A 301 -8.130 -5.544 2.113 1.00 0.00 H new ATOM 0 HG1 THR A 301 -9.427 -7.429 1.771 1.00 0.00 H new ATOM 0 HG21 THR A 301 -10.650 -5.592 2.346 1.00 0.00 H new ATOM 0 HG22 THR A 301 -10.062 -3.994 1.828 1.00 0.00 H new ATOM 0 HG23 THR A 301 -10.783 -5.104 0.639 1.00 0.00 H new ATOM 231 N GLU A 302 -8.047 -2.702 1.280 1.00 0.00 N ATOM 232 CA GLU A 302 -7.425 -1.688 2.120 1.00 0.00 C ATOM 233 C GLU A 302 -6.655 -2.294 3.292 1.00 0.00 C ATOM 234 O GLU A 302 -5.464 -2.054 3.441 1.00 0.00 O ATOM 235 CB GLU A 302 -8.442 -0.646 2.578 1.00 0.00 C ATOM 236 CG GLU A 302 -9.820 -1.132 3.021 1.00 0.00 C ATOM 237 CD GLU A 302 -9.909 -1.800 4.400 1.00 0.00 C ATOM 238 OE1 GLU A 302 -9.804 -1.099 5.435 1.00 0.00 O ATOM 239 OE2 GLU A 302 -10.092 -3.039 4.437 1.00 0.00 O ATOM 0 H GLU A 302 -9.035 -2.536 1.086 1.00 0.00 H new ATOM 0 HA GLU A 302 -6.686 -1.174 1.505 1.00 0.00 H new ATOM 0 HB2 GLU A 302 -8.001 -0.092 3.407 1.00 0.00 H new ATOM 0 HB3 GLU A 302 -8.585 0.062 1.762 1.00 0.00 H new ATOM 0 HG2 GLU A 302 -10.500 -0.280 3.012 1.00 0.00 H new ATOM 0 HG3 GLU A 302 -10.186 -1.839 2.277 1.00 0.00 H new ATOM 246 N ASN A 303 -7.272 -3.170 4.076 1.00 0.00 N ATOM 247 CA ASN A 303 -6.583 -3.746 5.218 1.00 0.00 C ATOM 248 C ASN A 303 -5.461 -4.696 4.815 1.00 0.00 C ATOM 249 O ASN A 303 -4.413 -4.733 5.457 1.00 0.00 O ATOM 250 CB ASN A 303 -7.605 -4.373 6.155 1.00 0.00 C ATOM 251 CG ASN A 303 -8.165 -5.696 5.658 1.00 0.00 C ATOM 252 OD1 ASN A 303 -7.623 -6.764 5.905 1.00 0.00 O ATOM 253 ND2 ASN A 303 -9.253 -5.664 4.927 1.00 0.00 N ATOM 0 H ASN A 303 -8.231 -3.491 3.944 1.00 0.00 H new ATOM 0 HA ASN A 303 -6.072 -2.950 5.760 1.00 0.00 H new ATOM 0 HB2 ASN A 303 -7.143 -4.528 7.130 1.00 0.00 H new ATOM 0 HB3 ASN A 303 -8.428 -3.673 6.301 1.00 0.00 H new ATOM 0 HD21 ASN A 303 -9.649 -6.531 4.563 1.00 0.00 H new ATOM 0 HD22 ASN A 303 -9.704 -4.772 4.722 1.00 0.00 H new ATOM 260 N ASP A 304 -5.640 -5.388 3.693 1.00 0.00 N ATOM 261 CA ASP A 304 -4.597 -6.210 3.097 1.00 0.00 C ATOM 262 C ASP A 304 -3.329 -5.386 2.830 1.00 0.00 C ATOM 263 O ASP A 304 -2.229 -5.737 3.267 1.00 0.00 O ATOM 264 CB ASP A 304 -5.102 -6.853 1.809 1.00 0.00 C ATOM 265 CG ASP A 304 -4.000 -7.695 1.152 1.00 0.00 C ATOM 266 OD1 ASP A 304 -3.750 -8.828 1.620 1.00 0.00 O ATOM 267 OD2 ASP A 304 -3.384 -7.241 0.157 1.00 0.00 O ATOM 0 H ASP A 304 -6.517 -5.393 3.172 1.00 0.00 H new ATOM 0 HA ASP A 304 -4.340 -6.999 3.803 1.00 0.00 H new ATOM 0 HB2 ASP A 304 -5.966 -7.481 2.025 1.00 0.00 H new ATOM 0 HB3 ASP A 304 -5.436 -6.079 1.118 1.00 0.00 H new ATOM 272 N ILE A 305 -3.498 -4.242 2.165 1.00 0.00 N ATOM 273 CA ILE A 305 -2.369 -3.471 1.662 1.00 0.00 C ATOM 274 C ILE A 305 -1.606 -2.758 2.764 1.00 0.00 C ATOM 275 O ILE A 305 -0.387 -2.643 2.688 1.00 0.00 O ATOM 276 CB ILE A 305 -2.792 -2.464 0.595 1.00 0.00 C ATOM 277 CG1 ILE A 305 -3.904 -1.531 1.052 1.00 0.00 C ATOM 278 CG2 ILE A 305 -3.195 -3.247 -0.663 1.00 0.00 C ATOM 279 CD1 ILE A 305 -3.960 -0.242 0.279 1.00 0.00 C ATOM 0 H ILE A 305 -4.410 -3.831 1.964 1.00 0.00 H new ATOM 0 HA ILE A 305 -1.700 -4.202 1.208 1.00 0.00 H new ATOM 0 HB ILE A 305 -1.948 -1.808 0.383 1.00 0.00 H new ATOM 0 HG12 ILE A 305 -4.861 -2.045 0.957 1.00 0.00 H new ATOM 0 HG13 ILE A 305 -3.767 -1.306 2.110 1.00 0.00 H new ATOM 0 HG21 ILE A 305 -3.502 -2.550 -1.443 1.00 0.00 H new ATOM 0 HG22 ILE A 305 -2.346 -3.833 -1.014 1.00 0.00 H new ATOM 0 HG23 ILE A 305 -4.023 -3.915 -0.426 1.00 0.00 H new ATOM 0 HD11 ILE A 305 -4.775 0.374 0.658 1.00 0.00 H new ATOM 0 HD12 ILE A 305 -3.017 0.293 0.394 1.00 0.00 H new ATOM 0 HD13 ILE A 305 -4.128 -0.458 -0.776 1.00 0.00 H new ATOM 291 N TYR A 306 -2.279 -2.293 3.814 1.00 0.00 N ATOM 292 CA TYR A 306 -1.558 -1.517 4.808 1.00 0.00 C ATOM 293 C TYR A 306 -0.996 -2.366 5.929 1.00 0.00 C ATOM 294 O TYR A 306 0.024 -1.998 6.505 1.00 0.00 O ATOM 295 CB TYR A 306 -2.382 -0.337 5.281 1.00 0.00 C ATOM 296 CG TYR A 306 -3.445 -0.666 6.306 1.00 0.00 C ATOM 297 CD1 TYR A 306 -3.059 -0.935 7.634 1.00 0.00 C ATOM 298 CD2 TYR A 306 -4.806 -0.588 5.964 1.00 0.00 C ATOM 299 CE1 TYR A 306 -4.037 -1.143 8.625 1.00 0.00 C ATOM 300 CE2 TYR A 306 -5.789 -0.777 6.957 1.00 0.00 C ATOM 301 CZ TYR A 306 -5.406 -1.064 8.287 1.00 0.00 C ATOM 302 OH TYR A 306 -6.362 -1.261 9.235 1.00 0.00 O ATOM 0 H TYR A 306 -3.274 -2.432 3.991 1.00 0.00 H new ATOM 0 HA TYR A 306 -0.676 -1.100 4.322 1.00 0.00 H new ATOM 0 HB2 TYR A 306 -1.710 0.409 5.704 1.00 0.00 H new ATOM 0 HB3 TYR A 306 -2.862 0.121 4.416 1.00 0.00 H new ATOM 0 HD1 TYR A 306 -2.011 -0.982 7.892 1.00 0.00 H new ATOM 0 HD2 TYR A 306 -5.098 -0.384 4.944 1.00 0.00 H new ATOM 0 HE1 TYR A 306 -3.741 -1.362 9.640 1.00 0.00 H new ATOM 0 HE2 TYR A 306 -6.836 -0.702 6.701 1.00 0.00 H new ATOM 0 HH TYR A 306 -7.249 -1.169 8.829 1.00 0.00 H new ATOM 312 N ASN A 307 -1.619 -3.516 6.195 1.00 0.00 N ATOM 313 CA ASN A 307 -1.104 -4.446 7.206 1.00 0.00 C ATOM 314 C ASN A 307 0.129 -5.236 6.724 1.00 0.00 C ATOM 315 O ASN A 307 0.875 -5.765 7.550 1.00 0.00 O ATOM 316 CB ASN A 307 -2.221 -5.344 7.760 1.00 0.00 C ATOM 317 CG ASN A 307 -2.242 -6.747 7.174 1.00 0.00 C ATOM 318 OD1 ASN A 307 -1.873 -7.725 7.809 1.00 0.00 O ATOM 319 ND2 ASN A 307 -2.640 -6.886 5.936 1.00 0.00 N ATOM 0 H ASN A 307 -2.473 -3.825 5.730 1.00 0.00 H new ATOM 0 HA ASN A 307 -0.742 -3.844 8.040 1.00 0.00 H new ATOM 0 HB2 ASN A 307 -2.111 -5.416 8.842 1.00 0.00 H new ATOM 0 HB3 ASN A 307 -3.183 -4.868 7.569 1.00 0.00 H new ATOM 0 HD21 ASN A 307 -2.642 -7.809 5.502 1.00 0.00 H new ATOM 0 HD22 ASN A 307 -2.948 -6.072 5.405 1.00 0.00 H new ATOM 326 N PHE A 308 0.367 -5.298 5.404 1.00 0.00 N ATOM 327 CA PHE A 308 1.625 -5.828 4.865 1.00 0.00 C ATOM 328 C PHE A 308 2.674 -4.721 4.695 1.00 0.00 C ATOM 329 O PHE A 308 3.839 -4.999 4.968 1.00 0.00 O ATOM 330 CB PHE A 308 1.387 -6.604 3.562 1.00 0.00 C ATOM 331 CG PHE A 308 1.834 -5.869 2.321 1.00 0.00 C ATOM 332 CD1 PHE A 308 0.896 -5.027 1.737 1.00 0.00 C ATOM 333 CD2 PHE A 308 3.167 -5.850 1.861 1.00 0.00 C ATOM 334 CE1 PHE A 308 1.279 -4.078 0.794 1.00 0.00 C ATOM 335 CE2 PHE A 308 3.554 -4.921 0.889 1.00 0.00 C ATOM 336 CZ PHE A 308 2.618 -3.982 0.434 1.00 0.00 C ATOM 0 H PHE A 308 -0.295 -4.988 4.693 1.00 0.00 H new ATOM 0 HA PHE A 308 2.028 -6.535 5.591 1.00 0.00 H new ATOM 0 HB2 PHE A 308 1.913 -7.557 3.617 1.00 0.00 H new ATOM 0 HB3 PHE A 308 0.324 -6.831 3.475 1.00 0.00 H new ATOM 0 HD1 PHE A 308 -0.143 -5.110 2.018 1.00 0.00 H new ATOM 0 HD2 PHE A 308 3.887 -6.550 2.258 1.00 0.00 H new ATOM 0 HE1 PHE A 308 0.545 -3.424 0.347 1.00 0.00 H new ATOM 0 HE2 PHE A 308 4.560 -4.927 0.495 1.00 0.00 H new ATOM 0 HZ PHE A 308 2.942 -3.173 -0.205 1.00 0.00 H new ATOM 346 N PHE A 309 2.289 -3.485 4.298 1.00 0.00 N ATOM 347 CA PHE A 309 3.187 -2.312 4.242 1.00 0.00 C ATOM 348 C PHE A 309 4.042 -2.236 5.509 1.00 0.00 C ATOM 349 O PHE A 309 5.246 -2.012 5.423 1.00 0.00 O ATOM 350 CB PHE A 309 2.393 -0.998 4.167 1.00 0.00 C ATOM 351 CG PHE A 309 2.379 -0.227 2.859 1.00 0.00 C ATOM 352 CD1 PHE A 309 3.601 0.245 2.342 1.00 0.00 C ATOM 353 CD2 PHE A 309 1.179 0.154 2.232 1.00 0.00 C ATOM 354 CE1 PHE A 309 3.629 1.066 1.205 1.00 0.00 C ATOM 355 CE2 PHE A 309 1.213 0.963 1.082 1.00 0.00 C ATOM 356 CZ PHE A 309 2.432 1.420 0.564 1.00 0.00 C ATOM 0 H PHE A 309 1.335 -3.274 4.005 1.00 0.00 H new ATOM 0 HA PHE A 309 3.803 -2.433 3.351 1.00 0.00 H new ATOM 0 HB2 PHE A 309 1.359 -1.221 4.430 1.00 0.00 H new ATOM 0 HB3 PHE A 309 2.781 -0.333 4.938 1.00 0.00 H new ATOM 0 HD1 PHE A 309 4.527 -0.028 2.826 1.00 0.00 H new ATOM 0 HD2 PHE A 309 0.232 -0.175 2.633 1.00 0.00 H new ATOM 0 HE1 PHE A 309 4.573 1.426 0.823 1.00 0.00 H new ATOM 0 HE2 PHE A 309 0.289 1.235 0.593 1.00 0.00 H new ATOM 0 HZ PHE A 309 2.450 2.039 -0.321 1.00 0.00 H new ATOM 366 N SER A 310 3.398 -2.465 6.653 1.00 0.00 N ATOM 367 CA SER A 310 3.901 -3.132 7.872 1.00 0.00 C ATOM 368 C SER A 310 2.767 -3.274 8.907 1.00 0.00 C ATOM 369 O SER A 310 1.620 -3.010 8.552 1.00 0.00 O ATOM 370 CB SER A 310 5.156 -2.464 8.465 1.00 0.00 C ATOM 371 OG SER A 310 5.632 -1.291 7.859 1.00 0.00 O ATOM 0 H SER A 310 2.429 -2.167 6.769 1.00 0.00 H new ATOM 0 HA SER A 310 4.230 -4.130 7.581 1.00 0.00 H new ATOM 0 HB2 SER A 310 4.950 -2.238 9.511 1.00 0.00 H new ATOM 0 HB3 SER A 310 5.962 -3.197 8.450 1.00 0.00 H new ATOM 0 HG SER A 310 5.882 -1.481 6.930 1.00 0.00 H new ATOM 377 N PRO A 311 3.004 -3.661 10.178 1.00 0.00 N ATOM 378 CA PRO A 311 2.049 -3.495 11.290 1.00 0.00 C ATOM 379 C PRO A 311 1.558 -2.045 11.595 1.00 0.00 C ATOM 380 O PRO A 311 1.335 -1.676 12.751 1.00 0.00 O ATOM 381 CB PRO A 311 2.727 -4.155 12.500 1.00 0.00 C ATOM 382 CG PRO A 311 3.632 -5.208 11.866 1.00 0.00 C ATOM 383 CD PRO A 311 4.121 -4.494 10.608 1.00 0.00 C ATOM 0 HA PRO A 311 1.106 -3.966 11.011 1.00 0.00 H new ATOM 0 HB2 PRO A 311 3.298 -3.433 13.084 1.00 0.00 H new ATOM 0 HB3 PRO A 311 1.998 -4.605 13.174 1.00 0.00 H new ATOM 0 HG2 PRO A 311 4.456 -5.486 12.523 1.00 0.00 H new ATOM 0 HG3 PRO A 311 3.089 -6.123 11.630 1.00 0.00 H new ATOM 0 HD2 PRO A 311 5.004 -3.890 10.817 1.00 0.00 H new ATOM 0 HD3 PRO A 311 4.399 -5.209 9.833 1.00 0.00 H new ATOM 391 N LEU A 312 1.447 -1.197 10.568 1.00 0.00 N ATOM 392 CA LEU A 312 1.153 0.236 10.567 1.00 0.00 C ATOM 393 C LEU A 312 -0.316 0.580 10.849 1.00 0.00 C ATOM 394 O LEU A 312 -1.203 -0.277 10.823 1.00 0.00 O ATOM 395 CB LEU A 312 1.526 0.787 9.185 1.00 0.00 C ATOM 396 CG LEU A 312 2.926 0.480 8.662 1.00 0.00 C ATOM 397 CD1 LEU A 312 3.196 1.352 7.455 1.00 0.00 C ATOM 398 CD2 LEU A 312 4.029 0.777 9.654 1.00 0.00 C ATOM 0 H LEU A 312 1.575 -1.537 9.615 1.00 0.00 H new ATOM 0 HA LEU A 312 1.732 0.683 11.375 1.00 0.00 H new ATOM 0 HB2 LEU A 312 0.805 0.403 8.463 1.00 0.00 H new ATOM 0 HB3 LEU A 312 1.406 1.870 9.210 1.00 0.00 H new ATOM 0 HG LEU A 312 2.937 -0.587 8.442 1.00 0.00 H new ATOM 0 HD11 LEU A 312 4.194 1.143 7.071 1.00 0.00 H new ATOM 0 HD12 LEU A 312 2.458 1.141 6.681 1.00 0.00 H new ATOM 0 HD13 LEU A 312 3.131 2.401 7.742 1.00 0.00 H new ATOM 0 HD21 LEU A 312 4.994 0.533 9.209 1.00 0.00 H new ATOM 0 HD22 LEU A 312 4.007 1.835 9.916 1.00 0.00 H new ATOM 0 HD23 LEU A 312 3.882 0.177 10.552 1.00 0.00 H new ATOM 410 N ASN A 313 -0.580 1.872 11.042 1.00 0.00 N ATOM 411 CA ASN A 313 -1.894 2.487 11.242 1.00 0.00 C ATOM 412 C ASN A 313 -2.071 3.739 10.338 1.00 0.00 C ATOM 413 O ASN A 313 -1.868 4.879 10.773 1.00 0.00 O ATOM 414 CB ASN A 313 -2.108 2.813 12.731 1.00 0.00 C ATOM 415 CG ASN A 313 -2.673 1.689 13.589 1.00 0.00 C ATOM 416 OD1 ASN A 313 -3.246 1.925 14.644 1.00 0.00 O ATOM 417 ND2 ASN A 313 -2.567 0.443 13.184 1.00 0.00 N ATOM 0 H ASN A 313 0.169 2.564 11.064 1.00 0.00 H new ATOM 0 HA ASN A 313 -2.663 1.774 10.945 1.00 0.00 H new ATOM 0 HB2 ASN A 313 -1.152 3.121 13.155 1.00 0.00 H new ATOM 0 HB3 ASN A 313 -2.779 3.669 12.802 1.00 0.00 H new ATOM 0 HD21 ASN A 313 -2.960 -0.311 13.747 1.00 0.00 H new ATOM 0 HD22 ASN A 313 -2.092 0.231 12.307 1.00 0.00 H new ATOM 424 N PRO A 314 -2.476 3.544 9.068 1.00 0.00 N ATOM 425 CA PRO A 314 -3.084 4.545 8.225 1.00 0.00 C ATOM 426 C PRO A 314 -4.249 5.185 8.947 1.00 0.00 C ATOM 427 O PRO A 314 -5.149 4.542 9.492 1.00 0.00 O ATOM 428 CB PRO A 314 -3.545 3.887 6.927 1.00 0.00 C ATOM 429 CG PRO A 314 -2.978 2.491 6.980 1.00 0.00 C ATOM 430 CD PRO A 314 -2.648 2.270 8.461 1.00 0.00 C ATOM 0 HA PRO A 314 -2.360 5.325 7.990 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -4.633 3.870 6.857 1.00 0.00 H new ATOM 0 HB3 PRO A 314 -3.178 4.430 6.056 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -3.697 1.756 6.619 1.00 0.00 H new ATOM 0 HG3 PRO A 314 -2.089 2.399 6.357 1.00 0.00 H new ATOM 0 HD2 PRO A 314 -3.450 1.719 8.952 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -1.742 1.673 8.565 1.00 0.00 H new ATOM 438 N VAL A 315 -4.203 6.497 8.893 1.00 0.00 N ATOM 439 CA VAL A 315 -5.259 7.404 9.313 1.00 0.00 C ATOM 440 C VAL A 315 -6.338 7.506 8.230 1.00 0.00 C ATOM 441 O VAL A 315 -7.429 8.017 8.489 1.00 0.00 O ATOM 442 CB VAL A 315 -4.616 8.741 9.720 1.00 0.00 C ATOM 443 CG1 VAL A 315 -3.503 8.397 10.730 1.00 0.00 C ATOM 444 CG2 VAL A 315 -3.998 9.553 8.571 1.00 0.00 C ATOM 0 H VAL A 315 -3.385 6.991 8.536 1.00 0.00 H new ATOM 0 HA VAL A 315 -5.787 7.030 10.190 1.00 0.00 H new ATOM 0 HB VAL A 315 -5.408 9.374 10.121 1.00 0.00 H new ATOM 0 HG11 VAL A 315 -3.010 9.313 11.054 1.00 0.00 H new ATOM 0 HG12 VAL A 315 -3.938 7.894 11.593 1.00 0.00 H new ATOM 0 HG13 VAL A 315 -2.773 7.740 10.257 1.00 0.00 H new ATOM 0 HG21 VAL A 315 -3.573 10.476 8.965 1.00 0.00 H new ATOM 0 HG22 VAL A 315 -3.213 8.967 8.092 1.00 0.00 H new ATOM 0 HG23 VAL A 315 -4.769 9.793 7.839 1.00 0.00 H new ATOM 454 N ARG A 316 -6.052 6.947 7.038 1.00 0.00 N ATOM 455 CA ARG A 316 -6.981 6.728 5.924 1.00 0.00 C ATOM 456 C ARG A 316 -6.446 5.685 4.909 1.00 0.00 C ATOM 457 O ARG A 316 -5.243 5.433 4.871 1.00 0.00 O ATOM 458 CB ARG A 316 -7.192 8.101 5.253 1.00 0.00 C ATOM 459 CG ARG A 316 -8.653 8.585 5.233 1.00 0.00 C ATOM 460 CD ARG A 316 -9.499 7.933 4.129 1.00 0.00 C ATOM 461 NE ARG A 316 -8.977 8.272 2.791 1.00 0.00 N ATOM 462 CZ ARG A 316 -9.645 8.425 1.668 1.00 0.00 C ATOM 463 NH1 ARG A 316 -10.919 8.174 1.550 1.00 0.00 N ATOM 464 NH2 ARG A 316 -8.993 8.869 0.637 1.00 0.00 N ATOM 0 H ARG A 316 -5.111 6.619 6.819 1.00 0.00 H new ATOM 0 HA ARG A 316 -7.921 6.318 6.293 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -6.584 8.842 5.772 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -6.826 8.050 4.228 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -9.110 8.377 6.201 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -8.667 9.667 5.100 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -9.501 6.851 4.259 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -10.533 8.266 4.214 1.00 0.00 H new ATOM 0 HE ARG A 316 -7.968 8.405 2.729 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -11.450 7.840 2.355 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -11.385 8.311 0.653 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -7.999 9.085 0.716 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -9.474 9.002 -0.252 1.00 0.00 H new ATOM 478 N VAL A 317 -7.295 5.120 4.040 1.00 0.00 N ATOM 479 CA VAL A 317 -6.876 4.309 2.863 1.00 0.00 C ATOM 480 C VAL A 317 -7.748 4.636 1.643 1.00 0.00 C ATOM 481 O VAL A 317 -8.924 4.979 1.776 1.00 0.00 O ATOM 482 CB VAL A 317 -6.929 2.775 3.108 1.00 0.00 C ATOM 483 CG1 VAL A 317 -6.084 2.007 2.077 1.00 0.00 C ATOM 484 CG2 VAL A 317 -6.446 2.273 4.467 1.00 0.00 C ATOM 0 H VAL A 317 -8.308 5.208 4.126 1.00 0.00 H new ATOM 0 HA VAL A 317 -5.835 4.579 2.683 1.00 0.00 H new ATOM 0 HB VAL A 317 -8.000 2.586 3.034 1.00 0.00 H new ATOM 0 HG11 VAL A 317 -6.145 0.938 2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 317 -6.462 2.208 1.075 1.00 0.00 H new ATOM 0 HG13 VAL A 317 -5.045 2.330 2.145 1.00 0.00 H new ATOM 0 HG21 VAL A 317 -6.536 1.187 4.507 1.00 0.00 H new ATOM 0 HG22 VAL A 317 -5.403 2.556 4.610 1.00 0.00 H new ATOM 0 HG23 VAL A 317 -7.054 2.716 5.256 1.00 0.00 H new ATOM 494 N HIS A 318 -7.179 4.464 0.449 1.00 0.00 N ATOM 495 CA HIS A 318 -7.775 4.725 -0.860 1.00 0.00 C ATOM 496 C HIS A 318 -7.379 3.615 -1.845 1.00 0.00 C ATOM 497 O HIS A 318 -6.514 3.749 -2.711 1.00 0.00 O ATOM 498 CB HIS A 318 -7.343 6.125 -1.298 1.00 0.00 C ATOM 499 CG HIS A 318 -7.697 6.534 -2.706 1.00 0.00 C ATOM 500 ND1 HIS A 318 -8.908 6.999 -3.171 1.00 0.00 N ATOM 501 CD2 HIS A 318 -6.817 6.586 -3.754 1.00 0.00 C ATOM 502 CE1 HIS A 318 -8.755 7.341 -4.463 1.00 0.00 C ATOM 503 NE2 HIS A 318 -7.489 7.118 -4.863 1.00 0.00 N ATOM 0 H HIS A 318 -6.224 4.115 0.367 1.00 0.00 H new ATOM 0 HA HIS A 318 -8.864 4.709 -0.823 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -7.786 6.848 -0.612 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -6.261 6.198 -1.184 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -5.784 6.272 -3.730 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -9.538 7.739 -5.091 1.00 0.00 H new ATOM 0 HE2 HIS A 318 -7.098 7.300 -5.787 1.00 0.00 H new ATOM 511 N ILE A 319 -8.023 2.469 -1.647 1.00 0.00 N ATOM 512 CA ILE A 319 -7.845 1.168 -2.315 1.00 0.00 C ATOM 513 C ILE A 319 -8.379 1.123 -3.773 1.00 0.00 C ATOM 514 O ILE A 319 -9.086 0.228 -4.234 1.00 0.00 O ATOM 515 CB ILE A 319 -8.467 0.136 -1.366 1.00 0.00 C ATOM 516 CG1 ILE A 319 -8.154 -1.299 -1.780 1.00 0.00 C ATOM 517 CG2 ILE A 319 -9.989 0.306 -1.179 1.00 0.00 C ATOM 518 CD1 ILE A 319 -6.677 -1.679 -1.935 1.00 0.00 C ATOM 0 H ILE A 319 -8.760 2.415 -0.944 1.00 0.00 H new ATOM 0 HA ILE A 319 -6.790 0.948 -2.477 1.00 0.00 H new ATOM 0 HB ILE A 319 -7.996 0.333 -0.403 1.00 0.00 H new ATOM 0 HG12 ILE A 319 -8.599 -1.968 -1.043 1.00 0.00 H new ATOM 0 HG13 ILE A 319 -8.654 -1.493 -2.729 1.00 0.00 H new ATOM 0 HG21 ILE A 319 -10.359 -0.458 -0.495 1.00 0.00 H new ATOM 0 HG22 ILE A 319 -10.197 1.293 -0.767 1.00 0.00 H new ATOM 0 HG23 ILE A 319 -10.488 0.203 -2.143 1.00 0.00 H new ATOM 0 HD11 ILE A 319 -6.600 -2.725 -2.232 1.00 0.00 H new ATOM 0 HD12 ILE A 319 -6.218 -1.050 -2.698 1.00 0.00 H new ATOM 0 HD13 ILE A 319 -6.162 -1.532 -0.986 1.00 0.00 H new ATOM 530 N GLU A 320 -8.090 2.194 -4.485 1.00 0.00 N ATOM 531 CA GLU A 320 -8.678 2.586 -5.774 1.00 0.00 C ATOM 532 C GLU A 320 -8.374 1.609 -6.924 1.00 0.00 C ATOM 533 O GLU A 320 -7.238 1.162 -7.117 1.00 0.00 O ATOM 534 CB GLU A 320 -8.244 4.020 -6.102 1.00 0.00 C ATOM 535 CG GLU A 320 -8.947 4.636 -7.321 1.00 0.00 C ATOM 536 CD GLU A 320 -10.470 4.762 -7.109 1.00 0.00 C ATOM 537 OE1 GLU A 320 -11.194 3.767 -7.350 1.00 0.00 O ATOM 538 OE2 GLU A 320 -10.950 5.846 -6.700 1.00 0.00 O ATOM 0 H GLU A 320 -7.392 2.866 -4.167 1.00 0.00 H new ATOM 0 HA GLU A 320 -9.762 2.545 -5.670 1.00 0.00 H new ATOM 0 HB2 GLU A 320 -8.432 4.651 -5.233 1.00 0.00 H new ATOM 0 HB3 GLU A 320 -7.168 4.030 -6.276 1.00 0.00 H new ATOM 0 HG2 GLU A 320 -8.526 5.621 -7.522 1.00 0.00 H new ATOM 0 HG3 GLU A 320 -8.753 4.021 -8.200 1.00 0.00 H new ATOM 545 N ILE A 321 -9.433 1.246 -7.662 1.00 0.00 N ATOM 546 CA ILE A 321 -9.495 0.094 -8.577 1.00 0.00 C ATOM 547 C ILE A 321 -10.843 0.019 -9.313 1.00 0.00 C ATOM 548 O ILE A 321 -11.624 0.970 -9.305 1.00 0.00 O ATOM 549 CB ILE A 321 -9.138 -1.197 -7.781 1.00 0.00 C ATOM 550 CG1 ILE A 321 -7.988 -1.921 -8.492 1.00 0.00 C ATOM 551 CG2 ILE A 321 -10.278 -2.182 -7.499 1.00 0.00 C ATOM 552 CD1 ILE A 321 -7.553 -3.148 -7.690 1.00 0.00 C ATOM 0 H ILE A 321 -10.308 1.769 -7.637 1.00 0.00 H new ATOM 0 HA ILE A 321 -8.758 0.210 -9.372 1.00 0.00 H new ATOM 0 HB ILE A 321 -8.858 -0.838 -6.790 1.00 0.00 H new ATOM 0 HG12 ILE A 321 -8.303 -2.224 -9.490 1.00 0.00 H new ATOM 0 HG13 ILE A 321 -7.144 -1.242 -8.616 1.00 0.00 H new ATOM 0 HG21 ILE A 321 -9.892 -3.034 -6.939 1.00 0.00 H new ATOM 0 HG22 ILE A 321 -11.053 -1.685 -6.915 1.00 0.00 H new ATOM 0 HG23 ILE A 321 -10.701 -2.529 -8.442 1.00 0.00 H new ATOM 0 HD11 ILE A 321 -6.736 -3.651 -8.208 1.00 0.00 H new ATOM 0 HD12 ILE A 321 -7.218 -2.836 -6.701 1.00 0.00 H new ATOM 0 HD13 ILE A 321 -8.394 -3.833 -7.588 1.00 0.00 H new ATOM 564 N GLY A 322 -11.110 -1.133 -9.936 1.00 0.00 N ATOM 565 CA GLY A 322 -12.439 -1.611 -10.291 1.00 0.00 C ATOM 566 C GLY A 322 -13.542 -1.459 -9.205 1.00 0.00 C ATOM 567 O GLY A 322 -14.173 -0.402 -9.120 1.00 0.00 O ATOM 0 H GLY A 322 -10.373 -1.780 -10.216 1.00 0.00 H new ATOM 0 HA2 GLY A 322 -12.765 -1.080 -11.186 1.00 0.00 H new ATOM 0 HA3 GLY A 322 -12.363 -2.666 -10.556 1.00 0.00 H new ATOM 571 N PRO A 323 -13.820 -2.508 -8.395 1.00 0.00 N ATOM 572 CA PRO A 323 -14.890 -2.510 -7.389 1.00 0.00 C ATOM 573 C PRO A 323 -14.475 -1.977 -5.996 1.00 0.00 C ATOM 574 O PRO A 323 -15.055 -1.007 -5.508 1.00 0.00 O ATOM 575 CB PRO A 323 -15.326 -3.983 -7.319 1.00 0.00 C ATOM 576 CG PRO A 323 -14.074 -4.784 -7.664 1.00 0.00 C ATOM 577 CD PRO A 323 -13.311 -3.856 -8.593 1.00 0.00 C ATOM 0 HA PRO A 323 -15.687 -1.826 -7.680 1.00 0.00 H new ATOM 0 HB2 PRO A 323 -15.696 -4.238 -6.326 1.00 0.00 H new ATOM 0 HB3 PRO A 323 -16.133 -4.189 -8.023 1.00 0.00 H new ATOM 0 HG2 PRO A 323 -13.494 -5.028 -6.774 1.00 0.00 H new ATOM 0 HG3 PRO A 323 -14.321 -5.727 -8.151 1.00 0.00 H new ATOM 0 HD2 PRO A 323 -12.243 -3.896 -8.379 1.00 0.00 H new ATOM 0 HD3 PRO A 323 -13.440 -4.164 -9.631 1.00 0.00 H new ATOM 585 N ASP A 324 -13.513 -2.633 -5.329 1.00 0.00 N ATOM 586 CA ASP A 324 -13.313 -2.576 -3.859 1.00 0.00 C ATOM 587 C ASP A 324 -11.872 -2.974 -3.420 1.00 0.00 C ATOM 588 O ASP A 324 -11.595 -3.215 -2.246 1.00 0.00 O ATOM 589 CB ASP A 324 -14.387 -3.510 -3.250 1.00 0.00 C ATOM 590 CG ASP A 324 -14.450 -3.549 -1.713 1.00 0.00 C ATOM 591 OD1 ASP A 324 -14.587 -2.477 -1.077 1.00 0.00 O ATOM 592 OD2 ASP A 324 -14.432 -4.675 -1.154 1.00 0.00 O ATOM 0 H ASP A 324 -12.835 -3.232 -5.799 1.00 0.00 H new ATOM 0 HA ASP A 324 -13.423 -1.553 -3.500 1.00 0.00 H new ATOM 0 HB2 ASP A 324 -15.363 -3.204 -3.627 1.00 0.00 H new ATOM 0 HB3 ASP A 324 -14.209 -4.522 -3.613 1.00 0.00 H new ATOM 597 N GLY A 325 -10.958 -3.106 -4.391 1.00 0.00 N ATOM 598 CA GLY A 325 -9.569 -3.593 -4.247 1.00 0.00 C ATOM 599 C GLY A 325 -9.166 -4.769 -5.152 1.00 0.00 C ATOM 600 O GLY A 325 -8.055 -5.276 -5.004 1.00 0.00 O ATOM 0 H GLY A 325 -11.176 -2.863 -5.357 1.00 0.00 H new ATOM 0 HA2 GLY A 325 -8.892 -2.762 -4.443 1.00 0.00 H new ATOM 0 HA3 GLY A 325 -9.416 -3.891 -3.210 1.00 0.00 H new ATOM 604 N ARG A 326 -10.034 -5.259 -6.064 1.00 0.00 N ATOM 605 CA ARG A 326 -10.058 -6.697 -6.412 1.00 0.00 C ATOM 606 C ARG A 326 -9.691 -7.021 -7.871 1.00 0.00 C ATOM 607 O ARG A 326 -10.203 -7.981 -8.444 1.00 0.00 O ATOM 608 CB ARG A 326 -11.378 -7.378 -5.962 1.00 0.00 C ATOM 609 CG ARG A 326 -11.596 -7.565 -4.449 1.00 0.00 C ATOM 610 CD ARG A 326 -11.762 -6.251 -3.685 1.00 0.00 C ATOM 611 NE ARG A 326 -12.477 -6.401 -2.406 1.00 0.00 N ATOM 612 CZ ARG A 326 -12.001 -6.852 -1.263 1.00 0.00 C ATOM 613 NH1 ARG A 326 -10.821 -7.384 -1.151 1.00 0.00 N ATOM 614 NH2 ARG A 326 -12.728 -6.732 -0.195 1.00 0.00 N ATOM 0 H ARG A 326 -10.717 -4.691 -6.565 1.00 0.00 H new ATOM 0 HA ARG A 326 -9.245 -7.137 -5.835 1.00 0.00 H new ATOM 0 HB2 ARG A 326 -12.210 -6.792 -6.353 1.00 0.00 H new ATOM 0 HB3 ARG A 326 -11.429 -8.359 -6.434 1.00 0.00 H new ATOM 0 HG2 ARG A 326 -12.482 -8.181 -4.292 1.00 0.00 H new ATOM 0 HG3 ARG A 326 -10.750 -8.112 -4.034 1.00 0.00 H new ATOM 0 HD2 ARG A 326 -10.777 -5.824 -3.494 1.00 0.00 H new ATOM 0 HD3 ARG A 326 -12.301 -5.541 -4.312 1.00 0.00 H new ATOM 0 HE ARG A 326 -13.458 -6.122 -2.405 1.00 0.00 H new ATOM 0 HH11 ARG A 326 -10.219 -7.467 -1.970 1.00 0.00 H new ATOM 0 HH12 ARG A 326 -10.497 -7.719 -0.244 1.00 0.00 H new ATOM 0 HH21 ARG A 326 -13.648 -6.296 -0.251 1.00 0.00 H new ATOM 0 HH22 ARG A 326 -12.379 -7.074 0.700 1.00 0.00 H new ATOM 628 N VAL A 327 -8.825 -6.215 -8.497 1.00 0.00 N ATOM 629 CA VAL A 327 -8.524 -6.309 -9.943 1.00 0.00 C ATOM 630 C VAL A 327 -7.031 -6.218 -10.291 1.00 0.00 C ATOM 631 O VAL A 327 -6.369 -7.237 -10.476 1.00 0.00 O ATOM 632 CB VAL A 327 -9.382 -5.328 -10.771 1.00 0.00 C ATOM 633 CG1 VAL A 327 -9.263 -5.625 -12.267 1.00 0.00 C ATOM 634 CG2 VAL A 327 -10.860 -5.428 -10.398 1.00 0.00 C ATOM 0 H VAL A 327 -8.309 -5.476 -8.020 1.00 0.00 H new ATOM 0 HA VAL A 327 -8.809 -7.322 -10.229 1.00 0.00 H new ATOM 0 HB VAL A 327 -9.009 -4.328 -10.550 1.00 0.00 H new ATOM 0 HG11 VAL A 327 -9.877 -4.920 -12.828 1.00 0.00 H new ATOM 0 HG12 VAL A 327 -8.222 -5.526 -12.576 1.00 0.00 H new ATOM 0 HG13 VAL A 327 -9.605 -6.641 -12.465 1.00 0.00 H new ATOM 0 HG21 VAL A 327 -11.435 -4.724 -10.999 1.00 0.00 H new ATOM 0 HG22 VAL A 327 -11.215 -6.441 -10.586 1.00 0.00 H new ATOM 0 HG23 VAL A 327 -10.986 -5.190 -9.342 1.00 0.00 H new ATOM 644 N THR A 328 -6.531 -4.990 -10.412 1.00 0.00 N ATOM 645 CA THR A 328 -5.265 -4.633 -11.098 1.00 0.00 C ATOM 646 C THR A 328 -4.374 -3.665 -10.307 1.00 0.00 C ATOM 647 O THR A 328 -3.164 -3.879 -10.202 1.00 0.00 O ATOM 648 CB THR A 328 -5.569 -4.085 -12.511 1.00 0.00 C ATOM 649 OG1 THR A 328 -4.421 -3.561 -13.142 1.00 0.00 O ATOM 650 CG2 THR A 328 -6.660 -3.001 -12.550 1.00 0.00 C ATOM 0 H THR A 328 -7.006 -4.175 -10.024 1.00 0.00 H new ATOM 0 HA THR A 328 -4.685 -5.552 -11.177 1.00 0.00 H new ATOM 0 HB THR A 328 -5.935 -4.961 -13.047 1.00 0.00 H new ATOM 0 HG1 THR A 328 -4.308 -2.621 -12.888 1.00 0.00 H new ATOM 0 HG21 THR A 328 -6.810 -2.673 -13.578 1.00 0.00 H new ATOM 0 HG22 THR A 328 -7.592 -3.409 -12.160 1.00 0.00 H new ATOM 0 HG23 THR A 328 -6.352 -2.152 -11.939 1.00 0.00 H new ATOM 658 N GLY A 329 -4.975 -2.681 -9.634 1.00 0.00 N ATOM 659 CA GLY A 329 -4.478 -2.208 -8.346 1.00 0.00 C ATOM 660 C GLY A 329 -3.655 -0.958 -8.398 1.00 0.00 C ATOM 661 O GLY A 329 -2.448 -1.077 -8.553 1.00 0.00 O ATOM 0 H GLY A 329 -5.810 -2.197 -9.964 1.00 0.00 H new ATOM 0 HA2 GLY A 329 -5.329 -2.036 -7.688 1.00 0.00 H new ATOM 0 HA3 GLY A 329 -3.880 -2.999 -7.893 1.00 0.00 H new ATOM 665 N GLU A 330 -4.281 0.209 -8.251 1.00 0.00 N ATOM 666 CA GLU A 330 -3.645 1.505 -8.484 1.00 0.00 C ATOM 667 C GLU A 330 -4.093 2.536 -7.431 1.00 0.00 C ATOM 668 O GLU A 330 -4.912 3.424 -7.681 1.00 0.00 O ATOM 669 CB GLU A 330 -3.910 1.967 -9.924 1.00 0.00 C ATOM 670 CG GLU A 330 -3.444 0.961 -10.995 1.00 0.00 C ATOM 671 CD GLU A 330 -4.538 0.029 -11.573 1.00 0.00 C ATOM 672 OE1 GLU A 330 -5.739 0.155 -11.232 1.00 0.00 O ATOM 673 OE2 GLU A 330 -4.189 -0.852 -12.398 1.00 0.00 O ATOM 0 H GLU A 330 -5.257 0.282 -7.963 1.00 0.00 H new ATOM 0 HA GLU A 330 -2.566 1.404 -8.370 1.00 0.00 H new ATOM 0 HB2 GLU A 330 -4.978 2.146 -10.048 1.00 0.00 H new ATOM 0 HB3 GLU A 330 -3.406 2.919 -10.089 1.00 0.00 H new ATOM 0 HG2 GLU A 330 -2.997 1.518 -11.818 1.00 0.00 H new ATOM 0 HG3 GLU A 330 -2.657 0.342 -10.565 1.00 0.00 H new ATOM 680 N ALA A 331 -3.575 2.361 -6.216 1.00 0.00 N ATOM 681 CA ALA A 331 -4.151 2.820 -4.963 1.00 0.00 C ATOM 682 C ALA A 331 -3.148 3.631 -4.132 1.00 0.00 C ATOM 683 O ALA A 331 -1.942 3.625 -4.389 1.00 0.00 O ATOM 684 CB ALA A 331 -4.589 1.542 -4.238 1.00 0.00 C ATOM 0 H ALA A 331 -2.693 1.867 -6.077 1.00 0.00 H new ATOM 0 HA ALA A 331 -4.987 3.499 -5.130 1.00 0.00 H new ATOM 0 HB1 ALA A 331 -5.036 1.803 -3.279 1.00 0.00 H new ATOM 0 HB2 ALA A 331 -5.321 1.011 -4.847 1.00 0.00 H new ATOM 0 HB3 ALA A 331 -3.722 0.902 -4.072 1.00 0.00 H new ATOM 690 N ASP A 332 -3.657 4.301 -3.099 1.00 0.00 N ATOM 691 CA ASP A 332 -2.869 5.087 -2.160 1.00 0.00 C ATOM 692 C ASP A 332 -3.417 4.921 -0.736 1.00 0.00 C ATOM 693 O ASP A 332 -4.515 4.408 -0.510 1.00 0.00 O ATOM 694 CB ASP A 332 -2.826 6.573 -2.568 1.00 0.00 C ATOM 695 CG ASP A 332 -1.758 6.934 -3.620 1.00 0.00 C ATOM 696 OD1 ASP A 332 -1.886 6.562 -4.812 1.00 0.00 O ATOM 697 OD2 ASP A 332 -0.805 7.664 -3.255 1.00 0.00 O ATOM 0 H ASP A 332 -4.655 4.310 -2.890 1.00 0.00 H new ATOM 0 HA ASP A 332 -1.845 4.715 -2.182 1.00 0.00 H new ATOM 0 HB2 ASP A 332 -3.805 6.855 -2.956 1.00 0.00 H new ATOM 0 HB3 ASP A 332 -2.651 7.174 -1.675 1.00 0.00 H new ATOM 702 N VAL A 333 -2.599 5.292 0.240 1.00 0.00 N ATOM 703 CA VAL A 333 -2.809 4.998 1.658 1.00 0.00 C ATOM 704 C VAL A 333 -2.182 6.074 2.493 1.00 0.00 C ATOM 705 O VAL A 333 -1.144 6.608 2.125 1.00 0.00 O ATOM 706 CB VAL A 333 -2.248 3.605 2.036 1.00 0.00 C ATOM 707 CG1 VAL A 333 -2.032 2.646 0.865 1.00 0.00 C ATOM 708 CG2 VAL A 333 -0.949 3.537 2.833 1.00 0.00 C ATOM 0 H VAL A 333 -1.745 5.822 0.065 1.00 0.00 H new ATOM 0 HA VAL A 333 -3.881 4.976 1.853 1.00 0.00 H new ATOM 0 HB VAL A 333 -3.077 3.306 2.677 1.00 0.00 H new ATOM 0 HG11 VAL A 333 -1.637 1.700 1.237 1.00 0.00 H new ATOM 0 HG12 VAL A 333 -2.981 2.469 0.360 1.00 0.00 H new ATOM 0 HG13 VAL A 333 -1.323 3.084 0.162 1.00 0.00 H new ATOM 0 HG21 VAL A 333 -0.690 2.495 3.018 1.00 0.00 H new ATOM 0 HG22 VAL A 333 -0.149 4.015 2.267 1.00 0.00 H new ATOM 0 HG23 VAL A 333 -1.079 4.053 3.785 1.00 0.00 H new ATOM 718 N GLU A 334 -2.810 6.413 3.607 1.00 0.00 N ATOM 719 CA GLU A 334 -2.605 7.714 4.215 1.00 0.00 C ATOM 720 C GLU A 334 -2.281 7.572 5.690 1.00 0.00 C ATOM 721 O GLU A 334 -3.079 7.044 6.457 1.00 0.00 O ATOM 722 CB GLU A 334 -3.851 8.562 4.013 1.00 0.00 C ATOM 723 CG GLU A 334 -4.128 8.977 2.561 1.00 0.00 C ATOM 724 CD GLU A 334 -5.423 8.370 1.987 1.00 0.00 C ATOM 725 OE1 GLU A 334 -5.480 7.140 1.774 1.00 0.00 O ATOM 726 OE2 GLU A 334 -6.411 9.115 1.761 1.00 0.00 O ATOM 0 H GLU A 334 -3.462 5.808 4.105 1.00 0.00 H new ATOM 0 HA GLU A 334 -1.757 8.205 3.738 1.00 0.00 H new ATOM 0 HB2 GLU A 334 -4.713 8.009 4.387 1.00 0.00 H new ATOM 0 HB3 GLU A 334 -3.761 9.462 4.621 1.00 0.00 H new ATOM 0 HG2 GLU A 334 -4.190 10.064 2.507 1.00 0.00 H new ATOM 0 HG3 GLU A 334 -3.286 8.675 1.938 1.00 0.00 H new ATOM 733 N PHE A 335 -1.094 8.018 6.089 1.00 0.00 N ATOM 734 CA PHE A 335 -0.425 7.524 7.296 1.00 0.00 C ATOM 735 C PHE A 335 -0.074 8.607 8.323 1.00 0.00 C ATOM 736 O PHE A 335 0.089 9.770 7.975 1.00 0.00 O ATOM 737 CB PHE A 335 0.899 6.866 6.883 1.00 0.00 C ATOM 738 CG PHE A 335 0.858 5.414 6.471 1.00 0.00 C ATOM 739 CD1 PHE A 335 0.314 4.427 7.309 1.00 0.00 C ATOM 740 CD2 PHE A 335 1.489 5.030 5.282 1.00 0.00 C ATOM 741 CE1 PHE A 335 0.301 3.091 6.892 1.00 0.00 C ATOM 742 CE2 PHE A 335 1.470 3.692 4.857 1.00 0.00 C ATOM 743 CZ PHE A 335 0.821 2.727 5.642 1.00 0.00 C ATOM 0 H PHE A 335 -0.566 8.732 5.587 1.00 0.00 H new ATOM 0 HA PHE A 335 -1.131 6.840 7.766 1.00 0.00 H new ATOM 0 HB2 PHE A 335 1.315 7.439 6.054 1.00 0.00 H new ATOM 0 HB3 PHE A 335 1.595 6.959 7.716 1.00 0.00 H new ATOM 0 HD1 PHE A 335 -0.093 4.698 8.272 1.00 0.00 H new ATOM 0 HD2 PHE A 335 1.997 5.772 4.684 1.00 0.00 H new ATOM 0 HE1 PHE A 335 -0.114 2.333 7.540 1.00 0.00 H new ATOM 0 HE2 PHE A 335 1.951 3.408 3.933 1.00 0.00 H new ATOM 0 HZ PHE A 335 0.723 1.712 5.286 1.00 0.00 H new ATOM 753 N ALA A 336 0.238 8.216 9.560 1.00 0.00 N ATOM 754 CA ALA A 336 0.892 9.055 10.557 1.00 0.00 C ATOM 755 C ALA A 336 2.391 9.282 10.292 1.00 0.00 C ATOM 756 O ALA A 336 3.270 8.968 11.098 1.00 0.00 O ATOM 757 CB ALA A 336 0.701 8.439 11.922 1.00 0.00 C ATOM 0 H ALA A 336 0.035 7.277 9.903 1.00 0.00 H new ATOM 0 HA ALA A 336 0.423 10.037 10.500 1.00 0.00 H new ATOM 0 HB1 ALA A 336 1.188 9.061 12.673 1.00 0.00 H new ATOM 0 HB2 ALA A 336 -0.364 8.369 12.144 1.00 0.00 H new ATOM 0 HB3 ALA A 336 1.141 7.442 11.936 1.00 0.00 H new ATOM 763 N THR A 337 2.691 9.798 9.113 1.00 0.00 N ATOM 764 CA THR A 337 3.738 10.755 8.762 1.00 0.00 C ATOM 765 C THR A 337 4.674 10.138 7.738 1.00 0.00 C ATOM 766 O THR A 337 4.526 8.959 7.401 1.00 0.00 O ATOM 767 CB THR A 337 4.451 11.398 9.961 1.00 0.00 C ATOM 768 OG1 THR A 337 5.225 10.548 10.762 1.00 0.00 O ATOM 769 CG2 THR A 337 3.486 12.270 10.761 1.00 0.00 C ATOM 0 H THR A 337 2.153 9.532 8.288 1.00 0.00 H new ATOM 0 HA THR A 337 3.251 11.614 8.299 1.00 0.00 H new ATOM 0 HB THR A 337 5.215 12.037 9.518 1.00 0.00 H new ATOM 0 HG1 THR A 337 4.754 9.697 10.886 1.00 0.00 H new ATOM 0 HG21 THR A 337 4.012 12.715 11.605 1.00 0.00 H new ATOM 0 HG22 THR A 337 3.093 13.060 10.121 1.00 0.00 H new ATOM 0 HG23 THR A 337 2.662 11.658 11.129 1.00 0.00 H new ATOM 777 N HIS A 338 5.644 10.910 7.236 1.00 0.00 N ATOM 778 CA HIS A 338 6.759 10.324 6.492 1.00 0.00 C ATOM 779 C HIS A 338 7.333 9.159 7.277 1.00 0.00 C ATOM 780 O HIS A 338 7.585 8.120 6.723 1.00 0.00 O ATOM 781 CB HIS A 338 7.827 11.386 6.206 1.00 0.00 C ATOM 782 CG HIS A 338 9.074 10.842 5.553 1.00 0.00 C ATOM 783 ND1 HIS A 338 9.158 10.193 4.341 1.00 0.00 N ATOM 784 CD2 HIS A 338 10.343 10.896 6.067 1.00 0.00 C ATOM 785 CE1 HIS A 338 10.446 9.870 4.127 1.00 0.00 C ATOM 786 NE2 HIS A 338 11.209 10.280 5.155 1.00 0.00 N ATOM 0 H HIS A 338 5.679 11.925 7.330 1.00 0.00 H new ATOM 0 HA HIS A 338 6.401 9.952 5.532 1.00 0.00 H new ATOM 0 HB2 HIS A 338 7.398 12.154 5.563 1.00 0.00 H new ATOM 0 HB3 HIS A 338 8.102 11.872 7.142 1.00 0.00 H new ATOM 0 HD2 HIS A 338 10.626 11.337 7.011 1.00 0.00 H new ATOM 0 HE1 HIS A 338 10.815 9.354 3.253 1.00 0.00 H new ATOM 0 HE2 HIS A 338 12.218 10.165 5.252 1.00 0.00 H new ATOM 794 N GLU A 339 7.425 9.283 8.586 1.00 0.00 N ATOM 795 CA GLU A 339 8.012 8.330 9.504 1.00 0.00 C ATOM 796 C GLU A 339 7.149 7.059 9.712 1.00 0.00 C ATOM 797 O GLU A 339 7.718 5.966 9.790 1.00 0.00 O ATOM 798 CB GLU A 339 8.402 9.138 10.747 1.00 0.00 C ATOM 799 CG GLU A 339 9.547 10.098 10.348 1.00 0.00 C ATOM 800 CD GLU A 339 9.711 11.265 11.344 1.00 0.00 C ATOM 801 OE1 GLU A 339 10.366 11.095 12.400 1.00 0.00 O ATOM 802 OE2 GLU A 339 9.193 12.376 11.062 1.00 0.00 O ATOM 0 H GLU A 339 7.067 10.108 9.068 1.00 0.00 H new ATOM 0 HA GLU A 339 8.914 7.864 9.108 1.00 0.00 H new ATOM 0 HB2 GLU A 339 7.546 9.699 11.121 1.00 0.00 H new ATOM 0 HB3 GLU A 339 8.723 8.473 11.549 1.00 0.00 H new ATOM 0 HG2 GLU A 339 10.481 9.540 10.290 1.00 0.00 H new ATOM 0 HG3 GLU A 339 9.352 10.498 9.353 1.00 0.00 H new ATOM 809 N GLU A 340 5.805 7.116 9.648 1.00 0.00 N ATOM 810 CA GLU A 340 4.982 5.906 9.495 1.00 0.00 C ATOM 811 C GLU A 340 5.185 5.231 8.130 1.00 0.00 C ATOM 812 O GLU A 340 5.399 4.024 8.019 1.00 0.00 O ATOM 813 CB GLU A 340 3.515 6.274 9.719 1.00 0.00 C ATOM 814 CG GLU A 340 2.482 5.157 9.575 1.00 0.00 C ATOM 815 CD GLU A 340 2.450 4.239 10.816 1.00 0.00 C ATOM 816 OE1 GLU A 340 3.510 3.918 11.404 1.00 0.00 O ATOM 817 OE2 GLU A 340 1.337 3.858 11.237 1.00 0.00 O ATOM 0 H GLU A 340 5.270 7.983 9.700 1.00 0.00 H new ATOM 0 HA GLU A 340 5.296 5.176 10.242 1.00 0.00 H new ATOM 0 HB2 GLU A 340 3.422 6.693 10.721 1.00 0.00 H new ATOM 0 HB3 GLU A 340 3.255 7.066 9.017 1.00 0.00 H new ATOM 0 HG2 GLU A 340 1.495 5.593 9.420 1.00 0.00 H new ATOM 0 HG3 GLU A 340 2.710 4.563 8.690 1.00 0.00 H new ATOM 824 N ALA A 341 5.152 6.036 7.076 1.00 0.00 N ATOM 825 CA ALA A 341 5.192 5.607 5.689 1.00 0.00 C ATOM 826 C ALA A 341 6.562 5.116 5.195 1.00 0.00 C ATOM 827 O ALA A 341 6.664 4.249 4.337 1.00 0.00 O ATOM 828 CB ALA A 341 4.791 6.844 4.927 1.00 0.00 C ATOM 0 H ALA A 341 5.094 7.050 7.172 1.00 0.00 H new ATOM 0 HA ALA A 341 4.543 4.742 5.550 1.00 0.00 H new ATOM 0 HB1 ALA A 341 4.789 6.628 3.859 1.00 0.00 H new ATOM 0 HB2 ALA A 341 3.793 7.155 5.237 1.00 0.00 H new ATOM 0 HB3 ALA A 341 5.501 7.645 5.134 1.00 0.00 H new ATOM 834 N VAL A 342 7.638 5.662 5.738 1.00 0.00 N ATOM 835 CA VAL A 342 9.031 5.315 5.453 1.00 0.00 C ATOM 836 C VAL A 342 9.424 4.060 6.212 1.00 0.00 C ATOM 837 O VAL A 342 10.261 3.284 5.756 1.00 0.00 O ATOM 838 CB VAL A 342 9.949 6.476 5.846 1.00 0.00 C ATOM 839 CG1 VAL A 342 10.213 6.587 7.329 1.00 0.00 C ATOM 840 CG2 VAL A 342 11.301 6.447 5.173 1.00 0.00 C ATOM 0 H VAL A 342 7.563 6.405 6.433 1.00 0.00 H new ATOM 0 HA VAL A 342 9.136 5.126 4.385 1.00 0.00 H new ATOM 0 HB VAL A 342 9.374 7.337 5.504 1.00 0.00 H new ATOM 0 HG11 VAL A 342 10.871 7.435 7.519 1.00 0.00 H new ATOM 0 HG12 VAL A 342 9.270 6.734 7.856 1.00 0.00 H new ATOM 0 HG13 VAL A 342 10.688 5.672 7.684 1.00 0.00 H new ATOM 0 HG21 VAL A 342 11.891 7.302 5.504 1.00 0.00 H new ATOM 0 HG22 VAL A 342 11.819 5.525 5.437 1.00 0.00 H new ATOM 0 HG23 VAL A 342 11.170 6.493 4.092 1.00 0.00 H new ATOM 850 N ALA A 343 8.765 3.827 7.348 1.00 0.00 N ATOM 851 CA ALA A 343 8.821 2.523 7.983 1.00 0.00 C ATOM 852 C ALA A 343 8.014 1.473 7.191 1.00 0.00 C ATOM 853 O ALA A 343 8.389 0.299 7.175 1.00 0.00 O ATOM 854 CB ALA A 343 8.343 2.669 9.418 1.00 0.00 C ATOM 0 H ALA A 343 8.196 4.518 7.837 1.00 0.00 H new ATOM 0 HA ALA A 343 9.847 2.155 7.990 1.00 0.00 H new ATOM 0 HB1 ALA A 343 8.377 1.699 9.913 1.00 0.00 H new ATOM 0 HB2 ALA A 343 8.989 3.370 9.947 1.00 0.00 H new ATOM 0 HB3 ALA A 343 7.319 3.043 9.424 1.00 0.00 H new ATOM 860 N ALA A 344 6.985 1.904 6.442 1.00 0.00 N ATOM 861 CA ALA A 344 6.379 1.100 5.378 1.00 0.00 C ATOM 862 C ALA A 344 7.392 0.739 4.274 1.00 0.00 C ATOM 863 O ALA A 344 7.376 -0.359 3.709 1.00 0.00 O ATOM 864 CB ALA A 344 5.147 1.819 4.814 1.00 0.00 C ATOM 0 H ALA A 344 6.553 2.820 6.561 1.00 0.00 H new ATOM 0 HA ALA A 344 6.055 0.153 5.810 1.00 0.00 H new ATOM 0 HB1 ALA A 344 4.703 1.214 4.023 1.00 0.00 H new ATOM 0 HB2 ALA A 344 4.417 1.969 5.610 1.00 0.00 H new ATOM 0 HB3 ALA A 344 5.444 2.786 4.407 1.00 0.00 H new ATOM 870 N MET A 345 8.320 1.655 3.999 1.00 0.00 N ATOM 871 CA MET A 345 9.368 1.540 2.982 1.00 0.00 C ATOM 872 C MET A 345 10.621 0.804 3.450 1.00 0.00 C ATOM 873 O MET A 345 11.750 1.300 3.398 1.00 0.00 O ATOM 874 CB MET A 345 9.704 2.915 2.418 1.00 0.00 C ATOM 875 CG MET A 345 8.532 3.597 1.699 1.00 0.00 C ATOM 876 SD MET A 345 7.174 2.583 1.028 1.00 0.00 S ATOM 877 CE MET A 345 8.061 1.432 -0.051 1.00 0.00 C ATOM 0 H MET A 345 8.365 2.541 4.503 1.00 0.00 H new ATOM 0 HA MET A 345 8.959 0.913 2.190 1.00 0.00 H new ATOM 0 HB2 MET A 345 10.042 3.558 3.231 1.00 0.00 H new ATOM 0 HB3 MET A 345 10.537 2.817 1.722 1.00 0.00 H new ATOM 0 HG2 MET A 345 8.092 4.310 2.396 1.00 0.00 H new ATOM 0 HG3 MET A 345 8.948 4.174 0.873 1.00 0.00 H new ATOM 0 HE1 MET A 345 7.925 1.730 -1.091 1.00 0.00 H new ATOM 0 HE2 MET A 345 9.123 1.448 0.195 1.00 0.00 H new ATOM 0 HE3 MET A 345 7.670 0.425 0.092 1.00 0.00 H new ATOM 887 N SER A 346 10.388 -0.423 3.890 1.00 0.00 N ATOM 888 CA SER A 346 11.405 -1.270 4.527 1.00 0.00 C ATOM 889 C SER A 346 11.467 -2.713 3.994 1.00 0.00 C ATOM 890 O SER A 346 12.389 -3.465 4.324 1.00 0.00 O ATOM 891 CB SER A 346 11.130 -1.240 6.028 1.00 0.00 C ATOM 892 OG SER A 346 9.922 -1.923 6.331 1.00 0.00 O ATOM 0 H SER A 346 9.475 -0.872 3.817 1.00 0.00 H new ATOM 0 HA SER A 346 12.389 -0.867 4.286 1.00 0.00 H new ATOM 0 HB2 SER A 346 11.959 -1.702 6.564 1.00 0.00 H new ATOM 0 HB3 SER A 346 11.065 -0.207 6.370 1.00 0.00 H new ATOM 0 HG SER A 346 9.255 -1.281 6.652 1.00 0.00 H new ATOM 898 N LYS A 347 10.487 -3.090 3.159 1.00 0.00 N ATOM 899 CA LYS A 347 10.191 -4.482 2.753 1.00 0.00 C ATOM 900 C LYS A 347 9.570 -4.662 1.361 1.00 0.00 C ATOM 901 O LYS A 347 9.450 -5.803 0.938 1.00 0.00 O ATOM 902 CB LYS A 347 9.387 -5.142 3.893 1.00 0.00 C ATOM 903 CG LYS A 347 8.080 -4.423 4.241 1.00 0.00 C ATOM 904 CD LYS A 347 6.982 -4.936 3.336 1.00 0.00 C ATOM 905 CE LYS A 347 5.901 -3.882 3.305 1.00 0.00 C ATOM 906 NZ LYS A 347 6.297 -2.649 2.576 1.00 0.00 N ATOM 0 H LYS A 347 9.854 -2.415 2.730 1.00 0.00 H new ATOM 0 HA LYS A 347 11.140 -5.000 2.614 1.00 0.00 H new ATOM 0 HB2 LYS A 347 9.159 -6.170 3.613 1.00 0.00 H new ATOM 0 HB3 LYS A 347 10.012 -5.186 4.785 1.00 0.00 H new ATOM 0 HG2 LYS A 347 7.820 -4.598 5.285 1.00 0.00 H new ATOM 0 HG3 LYS A 347 8.198 -3.346 4.118 1.00 0.00 H new ATOM 0 HD2 LYS A 347 7.366 -5.123 2.333 1.00 0.00 H new ATOM 0 HD3 LYS A 347 6.587 -5.881 3.708 1.00 0.00 H new ATOM 0 HE2 LYS A 347 5.010 -4.301 2.838 1.00 0.00 H new ATOM 0 HE3 LYS A 347 5.631 -3.619 4.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 347 5.445 -2.131 2.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 347 6.870 -2.046 3.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 347 6.853 -2.906 1.736 1.00 0.00 H new ATOM 920 N ASP A 348 9.169 -3.582 0.674 1.00 0.00 N ATOM 921 CA ASP A 348 8.589 -3.467 -0.684 1.00 0.00 C ATOM 922 C ASP A 348 7.837 -4.674 -1.313 1.00 0.00 C ATOM 923 O ASP A 348 6.628 -4.591 -1.523 1.00 0.00 O ATOM 924 CB ASP A 348 9.678 -2.881 -1.602 1.00 0.00 C ATOM 925 CG ASP A 348 10.942 -3.752 -1.754 1.00 0.00 C ATOM 926 OD1 ASP A 348 11.809 -3.760 -0.850 1.00 0.00 O ATOM 927 OD2 ASP A 348 11.077 -4.462 -2.774 1.00 0.00 O ATOM 0 H ASP A 348 9.250 -2.659 1.101 1.00 0.00 H new ATOM 0 HA ASP A 348 7.730 -2.806 -0.567 1.00 0.00 H new ATOM 0 HB2 ASP A 348 9.248 -2.715 -2.590 1.00 0.00 H new ATOM 0 HB3 ASP A 348 9.972 -1.905 -1.215 1.00 0.00 H new ATOM 932 N ARG A 349 8.501 -5.794 -1.609 1.00 0.00 N ATOM 933 CA ARG A 349 8.022 -6.955 -2.390 1.00 0.00 C ATOM 934 C ARG A 349 6.775 -7.731 -1.928 1.00 0.00 C ATOM 935 O ARG A 349 6.487 -8.798 -2.462 1.00 0.00 O ATOM 936 CB ARG A 349 9.183 -7.916 -2.568 1.00 0.00 C ATOM 937 CG ARG A 349 9.476 -8.674 -1.271 1.00 0.00 C ATOM 938 CD ARG A 349 10.876 -9.254 -1.369 1.00 0.00 C ATOM 939 NE ARG A 349 11.826 -8.456 -0.557 1.00 0.00 N ATOM 940 CZ ARG A 349 12.244 -7.239 -0.864 1.00 0.00 C ATOM 941 NH1 ARG A 349 12.389 -6.846 -2.093 1.00 0.00 N ATOM 942 NH2 ARG A 349 12.481 -6.357 0.059 1.00 0.00 N ATOM 0 H ARG A 349 9.460 -5.931 -1.289 1.00 0.00 H new ATOM 0 HA ARG A 349 7.660 -6.498 -3.311 1.00 0.00 H new ATOM 0 HB2 ARG A 349 8.953 -8.625 -3.363 1.00 0.00 H new ATOM 0 HB3 ARG A 349 10.071 -7.365 -2.879 1.00 0.00 H new ATOM 0 HG2 ARG A 349 9.400 -8.005 -0.414 1.00 0.00 H new ATOM 0 HG3 ARG A 349 8.745 -9.468 -1.121 1.00 0.00 H new ATOM 0 HD2 ARG A 349 10.873 -10.288 -1.024 1.00 0.00 H new ATOM 0 HD3 ARG A 349 11.199 -9.266 -2.410 1.00 0.00 H new ATOM 0 HE ARG A 349 12.183 -8.876 0.301 1.00 0.00 H new ATOM 0 HH11 ARG A 349 12.178 -7.484 -2.861 1.00 0.00 H new ATOM 0 HH12 ARG A 349 12.714 -5.900 -2.291 1.00 0.00 H new ATOM 0 HH21 ARG A 349 12.345 -6.597 1.041 1.00 0.00 H new ATOM 0 HH22 ARG A 349 12.803 -5.424 -0.198 1.00 0.00 H new ATOM 956 N ALA A 350 6.084 -7.325 -0.880 1.00 0.00 N ATOM 957 CA ALA A 350 5.815 -8.312 0.183 1.00 0.00 C ATOM 958 C ALA A 350 4.331 -8.631 0.443 1.00 0.00 C ATOM 959 O ALA A 350 3.956 -9.207 1.465 1.00 0.00 O ATOM 960 CB ALA A 350 6.605 -7.902 1.426 1.00 0.00 C ATOM 0 H ALA A 350 5.714 -6.386 -0.731 1.00 0.00 H new ATOM 0 HA ALA A 350 6.167 -9.283 -0.165 1.00 0.00 H new ATOM 0 HB1 ALA A 350 6.421 -8.619 2.227 1.00 0.00 H new ATOM 0 HB2 ALA A 350 7.669 -7.885 1.191 1.00 0.00 H new ATOM 0 HB3 ALA A 350 6.288 -6.910 1.747 1.00 0.00 H new ATOM 966 N ASN A 351 3.494 -8.249 -0.513 1.00 0.00 N ATOM 967 CA ASN A 351 2.040 -8.252 -0.452 1.00 0.00 C ATOM 968 C ASN A 351 1.358 -9.495 -1.032 1.00 0.00 C ATOM 969 O ASN A 351 0.280 -9.898 -0.592 1.00 0.00 O ATOM 970 CB ASN A 351 1.682 -7.070 -1.352 1.00 0.00 C ATOM 971 CG ASN A 351 0.186 -6.913 -1.555 1.00 0.00 C ATOM 972 OD1 ASN A 351 -0.372 -7.257 -2.581 1.00 0.00 O ATOM 973 ND2 ASN A 351 -0.517 -6.465 -0.552 1.00 0.00 N ATOM 0 H ASN A 351 3.837 -7.906 -1.411 1.00 0.00 H new ATOM 0 HA ASN A 351 1.711 -8.215 0.587 1.00 0.00 H new ATOM 0 HB2 ASN A 351 2.082 -6.154 -0.917 1.00 0.00 H new ATOM 0 HB3 ASN A 351 2.163 -7.199 -2.321 1.00 0.00 H new ATOM 0 HD21 ASN A 351 -1.532 -6.403 -0.628 1.00 0.00 H new ATOM 0 HD22 ASN A 351 -0.052 -6.176 0.308 1.00 0.00 H new ATOM 980 N MET A 352 1.944 -10.027 -2.100 1.00 0.00 N ATOM 981 CA MET A 352 1.224 -10.839 -3.083 1.00 0.00 C ATOM 982 C MET A 352 1.928 -12.168 -3.313 1.00 0.00 C ATOM 983 O MET A 352 2.729 -12.342 -4.225 1.00 0.00 O ATOM 984 CB MET A 352 0.889 -10.040 -4.345 1.00 0.00 C ATOM 985 CG MET A 352 1.911 -9.130 -5.012 1.00 0.00 C ATOM 986 SD MET A 352 3.288 -9.884 -5.893 1.00 0.00 S ATOM 987 CE MET A 352 2.397 -10.615 -7.291 1.00 0.00 C ATOM 0 H MET A 352 2.935 -9.908 -2.311 1.00 0.00 H new ATOM 0 HA MET A 352 0.248 -11.108 -2.679 1.00 0.00 H new ATOM 0 HB2 MET A 352 0.568 -10.760 -5.098 1.00 0.00 H new ATOM 0 HB3 MET A 352 0.024 -9.421 -4.106 1.00 0.00 H new ATOM 0 HG2 MET A 352 1.377 -8.492 -5.716 1.00 0.00 H new ATOM 0 HG3 MET A 352 2.326 -8.479 -4.243 1.00 0.00 H new ATOM 0 HE1 MET A 352 3.111 -10.939 -8.048 1.00 0.00 H new ATOM 0 HE2 MET A 352 1.820 -11.473 -6.946 1.00 0.00 H new ATOM 0 HE3 MET A 352 1.723 -9.874 -7.721 1.00 0.00 H new ATOM 997 N GLN A 353 1.662 -13.112 -2.408 1.00 0.00 N ATOM 998 CA GLN A 353 2.370 -14.394 -2.331 1.00 0.00 C ATOM 999 C GLN A 353 3.893 -14.212 -2.089 1.00 0.00 C ATOM 1000 O GLN A 353 4.672 -15.123 -2.374 1.00 0.00 O ATOM 1001 CB GLN A 353 2.043 -15.285 -3.561 1.00 0.00 C ATOM 1002 CG GLN A 353 0.699 -15.054 -4.292 1.00 0.00 C ATOM 1003 CD GLN A 353 -0.565 -15.140 -3.431 1.00 0.00 C ATOM 1004 OE1 GLN A 353 -0.576 -15.584 -2.289 1.00 0.00 O ATOM 1005 NE2 GLN A 353 -1.690 -14.697 -3.957 1.00 0.00 N ATOM 0 H GLN A 353 0.938 -13.007 -1.697 1.00 0.00 H new ATOM 0 HA GLN A 353 2.003 -14.927 -1.454 1.00 0.00 H new ATOM 0 HB2 GLN A 353 2.845 -15.156 -4.288 1.00 0.00 H new ATOM 0 HB3 GLN A 353 2.071 -16.325 -3.236 1.00 0.00 H new ATOM 0 HG2 GLN A 353 0.728 -14.070 -4.759 1.00 0.00 H new ATOM 0 HG3 GLN A 353 0.616 -15.786 -5.095 1.00 0.00 H new ATOM 0 HE21 GLN A 353 -1.697 -14.324 -4.906 1.00 0.00 H new ATOM 0 HE22 GLN A 353 -2.553 -14.727 -3.414 1.00 0.00 H new ATOM 1014 N HIS A 354 4.311 -13.039 -1.568 1.00 0.00 N ATOM 1015 CA HIS A 354 5.702 -12.552 -1.477 1.00 0.00 C ATOM 1016 C HIS A 354 6.443 -12.552 -2.838 1.00 0.00 C ATOM 1017 O HIS A 354 7.029 -13.560 -3.247 1.00 0.00 O ATOM 1018 CB HIS A 354 6.427 -13.305 -0.348 1.00 0.00 C ATOM 1019 CG HIS A 354 7.784 -12.751 -0.003 1.00 0.00 C ATOM 1020 ND1 HIS A 354 9.000 -13.347 -0.252 1.00 0.00 N ATOM 1021 CD2 HIS A 354 8.033 -11.599 0.690 1.00 0.00 C ATOM 1022 CE1 HIS A 354 9.961 -12.581 0.289 1.00 0.00 C ATOM 1023 NE2 HIS A 354 9.419 -11.498 0.878 1.00 0.00 N ATOM 0 H HIS A 354 3.648 -12.369 -1.178 1.00 0.00 H new ATOM 0 HA HIS A 354 5.693 -11.495 -1.211 1.00 0.00 H new ATOM 0 HB2 HIS A 354 5.802 -13.286 0.545 1.00 0.00 H new ATOM 0 HB3 HIS A 354 6.537 -14.350 -0.637 1.00 0.00 H new ATOM 0 HD2 HIS A 354 7.293 -10.891 1.032 1.00 0.00 H new ATOM 0 HE1 HIS A 354 11.018 -12.802 0.256 1.00 0.00 H new ATOM 0 HE2 HIS A 354 9.917 -10.753 1.364 1.00 0.00 H new ATOM 1031 N ARG A 355 6.399 -11.413 -3.559 1.00 0.00 N ATOM 1032 CA ARG A 355 6.914 -11.284 -4.950 1.00 0.00 C ATOM 1033 C ARG A 355 7.190 -9.844 -5.420 1.00 0.00 C ATOM 1034 O ARG A 355 8.336 -9.625 -5.813 1.00 0.00 O ATOM 1035 CB ARG A 355 6.003 -12.033 -5.960 1.00 0.00 C ATOM 1036 CG ARG A 355 6.683 -13.222 -6.670 1.00 0.00 C ATOM 1037 CD ARG A 355 7.581 -12.844 -7.864 1.00 0.00 C ATOM 1038 NE ARG A 355 8.678 -11.934 -7.483 1.00 0.00 N ATOM 1039 CZ ARG A 355 9.905 -12.237 -7.102 1.00 0.00 C ATOM 1040 NH1 ARG A 355 10.409 -13.432 -7.222 1.00 0.00 N ATOM 1041 NH2 ARG A 355 10.642 -11.311 -6.564 1.00 0.00 N ATOM 0 H ARG A 355 6.003 -10.546 -3.195 1.00 0.00 H new ATOM 0 HA ARG A 355 7.894 -11.760 -4.922 1.00 0.00 H new ATOM 0 HB2 ARG A 355 5.120 -12.396 -5.434 1.00 0.00 H new ATOM 0 HB3 ARG A 355 5.657 -11.325 -6.713 1.00 0.00 H new ATOM 0 HG2 ARG A 355 7.284 -13.765 -5.941 1.00 0.00 H new ATOM 0 HG3 ARG A 355 5.910 -13.907 -7.019 1.00 0.00 H new ATOM 0 HD2 ARG A 355 8.001 -13.751 -8.300 1.00 0.00 H new ATOM 0 HD3 ARG A 355 6.973 -12.371 -8.636 1.00 0.00 H new ATOM 0 HE ARG A 355 8.459 -10.938 -7.519 1.00 0.00 H new ATOM 0 HH11 ARG A 355 9.849 -14.183 -7.626 1.00 0.00 H new ATOM 0 HH12 ARG A 355 11.363 -13.616 -6.913 1.00 0.00 H new ATOM 0 HH21 ARG A 355 10.270 -10.369 -6.442 1.00 0.00 H new ATOM 0 HH22 ARG A 355 11.593 -11.526 -6.263 1.00 0.00 H new ATOM 1055 N TYR A 356 6.211 -8.918 -5.369 1.00 0.00 N ATOM 1056 CA TYR A 356 6.309 -7.429 -5.413 1.00 0.00 C ATOM 1057 C TYR A 356 5.117 -6.617 -5.948 1.00 0.00 C ATOM 1058 O TYR A 356 4.433 -6.973 -6.907 1.00 0.00 O ATOM 1059 CB TYR A 356 7.624 -6.931 -6.063 1.00 0.00 C ATOM 1060 CG TYR A 356 7.815 -5.440 -6.288 1.00 0.00 C ATOM 1061 CD1 TYR A 356 7.358 -4.860 -7.488 1.00 0.00 C ATOM 1062 CD2 TYR A 356 8.517 -4.654 -5.352 1.00 0.00 C ATOM 1063 CE1 TYR A 356 7.671 -3.525 -7.790 1.00 0.00 C ATOM 1064 CE2 TYR A 356 8.835 -3.314 -5.655 1.00 0.00 C ATOM 1065 CZ TYR A 356 8.428 -2.751 -6.886 1.00 0.00 C ATOM 1066 OH TYR A 356 8.757 -1.470 -7.201 1.00 0.00 O ATOM 0 H TYR A 356 5.238 -9.212 -5.288 1.00 0.00 H new ATOM 0 HA TYR A 356 6.297 -7.215 -4.344 1.00 0.00 H new ATOM 0 HB2 TYR A 356 8.450 -7.279 -5.443 1.00 0.00 H new ATOM 0 HB3 TYR A 356 7.721 -7.425 -7.030 1.00 0.00 H new ATOM 0 HD1 TYR A 356 6.766 -5.444 -8.177 1.00 0.00 H new ATOM 0 HD2 TYR A 356 8.811 -5.078 -4.403 1.00 0.00 H new ATOM 0 HE1 TYR A 356 7.331 -3.089 -8.718 1.00 0.00 H new ATOM 0 HE2 TYR A 356 9.390 -2.717 -4.946 1.00 0.00 H new ATOM 0 HH TYR A 356 8.207 -1.167 -7.953 1.00 0.00 H new ATOM 1076 N ILE A 357 4.987 -5.437 -5.327 1.00 0.00 N ATOM 1077 CA ILE A 357 4.133 -4.297 -5.658 1.00 0.00 C ATOM 1078 C ILE A 357 5.011 -3.043 -5.696 1.00 0.00 C ATOM 1079 O ILE A 357 5.905 -2.877 -4.867 1.00 0.00 O ATOM 1080 CB ILE A 357 3.089 -4.087 -4.547 1.00 0.00 C ATOM 1081 CG1 ILE A 357 2.223 -5.327 -4.278 1.00 0.00 C ATOM 1082 CG2 ILE A 357 2.213 -2.853 -4.821 1.00 0.00 C ATOM 1083 CD1 ILE A 357 1.290 -5.712 -5.426 1.00 0.00 C ATOM 0 H ILE A 357 5.538 -5.241 -4.492 1.00 0.00 H new ATOM 0 HA ILE A 357 3.638 -4.479 -6.612 1.00 0.00 H new ATOM 0 HB ILE A 357 3.661 -3.910 -3.636 1.00 0.00 H new ATOM 0 HG12 ILE A 357 2.878 -6.171 -4.060 1.00 0.00 H new ATOM 0 HG13 ILE A 357 1.624 -5.149 -3.385 1.00 0.00 H new ATOM 0 HG21 ILE A 357 1.487 -2.736 -4.016 1.00 0.00 H new ATOM 0 HG22 ILE A 357 2.842 -1.965 -4.874 1.00 0.00 H new ATOM 0 HG23 ILE A 357 1.687 -2.983 -5.767 1.00 0.00 H new ATOM 0 HD11 ILE A 357 0.718 -6.597 -5.149 1.00 0.00 H new ATOM 0 HD12 ILE A 357 0.607 -4.888 -5.632 1.00 0.00 H new ATOM 0 HD13 ILE A 357 1.879 -5.926 -6.318 1.00 0.00 H new ATOM 1095 N GLU A 358 4.681 -2.116 -6.588 1.00 0.00 N ATOM 1096 CA GLU A 358 5.233 -0.759 -6.650 1.00 0.00 C ATOM 1097 C GLU A 358 4.811 0.089 -5.447 1.00 0.00 C ATOM 1098 O GLU A 358 3.975 0.981 -5.576 1.00 0.00 O ATOM 1099 CB GLU A 358 4.804 -0.096 -7.979 1.00 0.00 C ATOM 1100 CG GLU A 358 5.179 -0.824 -9.281 1.00 0.00 C ATOM 1101 CD GLU A 358 6.462 -0.246 -9.908 1.00 0.00 C ATOM 1102 OE1 GLU A 358 7.575 -0.709 -9.564 1.00 0.00 O ATOM 1103 OE2 GLU A 358 6.351 0.694 -10.735 1.00 0.00 O ATOM 0 H GLU A 358 3.993 -2.292 -7.320 1.00 0.00 H new ATOM 0 HA GLU A 358 6.320 -0.826 -6.613 1.00 0.00 H new ATOM 0 HB2 GLU A 358 3.721 0.027 -7.961 1.00 0.00 H new ATOM 0 HB3 GLU A 358 5.238 0.903 -8.014 1.00 0.00 H new ATOM 0 HG2 GLU A 358 5.320 -1.885 -9.077 1.00 0.00 H new ATOM 0 HG3 GLU A 358 4.358 -0.743 -9.993 1.00 0.00 H new ATOM 1110 N LEU A 359 5.385 -0.188 -4.272 1.00 0.00 N ATOM 1111 CA LEU A 359 5.276 0.672 -3.107 1.00 0.00 C ATOM 1112 C LEU A 359 6.235 1.864 -3.207 1.00 0.00 C ATOM 1113 O LEU A 359 7.439 1.676 -3.400 1.00 0.00 O ATOM 1114 CB LEU A 359 5.603 -0.167 -1.874 1.00 0.00 C ATOM 1115 CG LEU A 359 4.745 -1.421 -1.612 1.00 0.00 C ATOM 1116 CD1 LEU A 359 5.075 -1.853 -0.201 1.00 0.00 C ATOM 1117 CD2 LEU A 359 3.257 -1.192 -1.879 1.00 0.00 C ATOM 0 H LEU A 359 5.943 -1.026 -4.109 1.00 0.00 H new ATOM 0 HA LEU A 359 4.265 1.075 -3.041 1.00 0.00 H new ATOM 0 HB2 LEU A 359 6.644 -0.482 -1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 359 5.528 0.479 -0.999 1.00 0.00 H new ATOM 0 HG LEU A 359 4.980 -2.224 -2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 359 4.498 -2.743 0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 359 6.139 -2.078 -0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 359 4.826 -1.050 0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 359 2.706 -2.110 -1.677 1.00 0.00 H new ATOM 0 HD22 LEU A 359 2.889 -0.397 -1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 359 3.114 -0.905 -2.921 1.00 0.00 H new ATOM 1129 N PHE A 360 5.706 3.080 -3.053 1.00 0.00 N ATOM 1130 CA PHE A 360 6.467 4.326 -3.206 1.00 0.00 C ATOM 1131 C PHE A 360 5.905 5.485 -2.372 1.00 0.00 C ATOM 1132 O PHE A 360 4.724 5.829 -2.464 1.00 0.00 O ATOM 1133 CB PHE A 360 6.445 4.741 -4.683 1.00 0.00 C ATOM 1134 CG PHE A 360 7.359 3.948 -5.594 1.00 0.00 C ATOM 1135 CD1 PHE A 360 8.694 4.344 -5.797 1.00 0.00 C ATOM 1136 CD2 PHE A 360 6.868 2.793 -6.226 1.00 0.00 C ATOM 1137 CE1 PHE A 360 9.538 3.572 -6.618 1.00 0.00 C ATOM 1138 CE2 PHE A 360 7.717 2.008 -7.023 1.00 0.00 C ATOM 1139 CZ PHE A 360 9.052 2.401 -7.225 1.00 0.00 C ATOM 0 H PHE A 360 4.726 3.231 -2.816 1.00 0.00 H new ATOM 0 HA PHE A 360 7.478 4.127 -2.852 1.00 0.00 H new ATOM 0 HB2 PHE A 360 5.424 4.651 -5.053 1.00 0.00 H new ATOM 0 HB3 PHE A 360 6.717 5.794 -4.751 1.00 0.00 H new ATOM 0 HD1 PHE A 360 9.071 5.239 -5.324 1.00 0.00 H new ATOM 0 HD2 PHE A 360 5.834 2.508 -6.098 1.00 0.00 H new ATOM 0 HE1 PHE A 360 10.560 3.880 -6.782 1.00 0.00 H new ATOM 0 HE2 PHE A 360 7.345 1.103 -7.480 1.00 0.00 H new ATOM 0 HZ PHE A 360 9.703 1.804 -7.846 1.00 0.00 H new ATOM 1149 N LEU A 361 6.782 6.146 -1.613 1.00 0.00 N ATOM 1150 CA LEU A 361 6.494 7.450 -1.001 1.00 0.00 C ATOM 1151 C LEU A 361 6.260 8.541 -2.047 1.00 0.00 C ATOM 1152 O LEU A 361 6.765 8.493 -3.172 1.00 0.00 O ATOM 1153 CB LEU A 361 7.664 7.898 -0.103 1.00 0.00 C ATOM 1154 CG LEU A 361 7.799 7.044 1.154 1.00 0.00 C ATOM 1155 CD1 LEU A 361 9.225 6.993 1.716 1.00 0.00 C ATOM 1156 CD2 LEU A 361 6.914 7.587 2.254 1.00 0.00 C ATOM 0 H LEU A 361 7.716 5.793 -1.403 1.00 0.00 H new ATOM 0 HA LEU A 361 5.585 7.318 -0.414 1.00 0.00 H new ATOM 0 HB2 LEU A 361 8.593 7.850 -0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 361 7.519 8.940 0.184 1.00 0.00 H new ATOM 0 HG LEU A 361 7.508 6.039 0.848 1.00 0.00 H new ATOM 0 HD11 LEU A 361 9.242 6.368 2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 361 9.897 6.574 0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 361 9.551 8.001 1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 361 7.020 6.968 3.145 1.00 0.00 H new ATOM 0 HD22 LEU A 361 7.208 8.611 2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 361 5.875 7.574 1.925 1.00 0.00 H new ATOM 1168 N ASN A 362 5.524 9.560 -1.617 1.00 0.00 N ATOM 1169 CA ASN A 362 5.151 10.721 -2.424 1.00 0.00 C ATOM 1170 C ASN A 362 4.974 12.008 -1.590 1.00 0.00 C ATOM 1171 O ASN A 362 4.500 13.019 -2.115 1.00 0.00 O ATOM 1172 CB ASN A 362 3.880 10.316 -3.186 1.00 0.00 C ATOM 1173 CG ASN A 362 2.732 9.955 -2.264 1.00 0.00 C ATOM 1174 OD1 ASN A 362 2.175 10.774 -1.547 1.00 0.00 O ATOM 1175 ND2 ASN A 362 2.394 8.690 -2.222 1.00 0.00 N ATOM 0 H ASN A 362 5.158 9.604 -0.666 1.00 0.00 H new ATOM 0 HA ASN A 362 5.950 10.982 -3.118 1.00 0.00 H new ATOM 0 HB2 ASN A 362 3.574 11.136 -3.835 1.00 0.00 H new ATOM 0 HB3 ASN A 362 4.104 9.466 -3.830 1.00 0.00 H new ATOM 0 HD21 ASN A 362 1.659 8.379 -1.586 1.00 0.00 H new ATOM 0 HD22 ASN A 362 2.866 8.016 -2.825 1.00 0.00 H new ATOM 1182 N SER A 363 5.325 11.968 -0.296 1.00 0.00 N ATOM 1183 CA SER A 363 4.812 12.939 0.698 1.00 0.00 C ATOM 1184 C SER A 363 5.862 13.441 1.718 1.00 0.00 C ATOM 1185 O SER A 363 7.047 13.111 1.621 1.00 0.00 O ATOM 1186 CB SER A 363 3.614 12.266 1.386 1.00 0.00 C ATOM 1187 OG SER A 363 2.403 12.499 0.691 1.00 0.00 O ATOM 0 H SER A 363 5.963 11.274 0.093 1.00 0.00 H new ATOM 0 HA SER A 363 4.521 13.853 0.180 1.00 0.00 H new ATOM 0 HB2 SER A 363 3.792 11.193 1.455 1.00 0.00 H new ATOM 0 HB3 SER A 363 3.524 12.640 2.406 1.00 0.00 H new ATOM 0 HG SER A 363 2.338 11.884 -0.069 1.00 0.00 H new ATOM 1193 N THR A 364 5.422 14.219 2.721 1.00 0.00 N ATOM 1194 CA THR A 364 6.236 14.901 3.765 1.00 0.00 C ATOM 1195 C THR A 364 5.674 14.610 5.177 1.00 0.00 C ATOM 1196 O THR A 364 4.536 14.159 5.301 1.00 0.00 O ATOM 1197 CB THR A 364 6.249 16.423 3.477 1.00 0.00 C ATOM 1198 OG1 THR A 364 6.660 16.668 2.145 1.00 0.00 O ATOM 1199 CG2 THR A 364 7.193 17.237 4.368 1.00 0.00 C ATOM 0 H THR A 364 4.426 14.406 2.840 1.00 0.00 H new ATOM 0 HA THR A 364 7.257 14.520 3.736 1.00 0.00 H new ATOM 0 HB THR A 364 5.225 16.740 3.675 1.00 0.00 H new ATOM 0 HG1 THR A 364 6.662 17.633 1.976 1.00 0.00 H new ATOM 0 HG21 THR A 364 7.135 18.290 4.093 1.00 0.00 H new ATOM 0 HG22 THR A 364 6.902 17.117 5.412 1.00 0.00 H new ATOM 0 HG23 THR A 364 8.215 16.883 4.234 1.00 0.00 H new ATOM 1207 N THR A 365 6.446 14.809 6.258 1.00 0.00 N ATOM 1208 CA THR A 365 6.025 14.648 7.679 1.00 0.00 C ATOM 1209 C THR A 365 4.978 15.689 8.136 1.00 0.00 C ATOM 1210 O THR A 365 5.230 16.615 8.909 1.00 0.00 O ATOM 1211 CB THR A 365 7.259 14.481 8.604 1.00 0.00 C ATOM 1212 OG1 THR A 365 6.883 13.940 9.851 1.00 0.00 O ATOM 1213 CG2 THR A 365 8.129 15.720 8.835 1.00 0.00 C ATOM 0 H THR A 365 7.421 15.098 6.174 1.00 0.00 H new ATOM 0 HA THR A 365 5.470 13.714 7.764 1.00 0.00 H new ATOM 0 HB THR A 365 7.893 13.797 8.041 1.00 0.00 H new ATOM 0 HG1 THR A 365 7.634 13.438 10.230 1.00 0.00 H new ATOM 0 HG21 THR A 365 8.955 15.466 9.499 1.00 0.00 H new ATOM 0 HG22 THR A 365 8.524 16.070 7.881 1.00 0.00 H new ATOM 0 HG23 THR A 365 7.528 16.507 9.290 1.00 0.00 H new