USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 667 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 431 GLN : amide:sc= -0.152 X(o=-0.086,f=0.059) USER MOD Set 1.2: A 433 SER OG : rot 180:sc= 0.066 USER MOD Single : A 379 SER OG : rot 100:sc= -6.46! USER MOD Single : A 381 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 382 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 385 HIS : no HD1:sc= -0.0509 X(o=-0.051,f=-0.54) USER MOD Single : A 389 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 391 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 392 TYR OH : rot 180:sc= 0 USER MOD Single : A 395 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 404 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 405 THR OG1 : rot 180:sc= 0 USER MOD Single : A 407 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 409 TYR OH : rot 180:sc= 0 USER MOD Single : A 415 MET CE :methyl 155:sc= -0.107 (180deg=-0.554) USER MOD Single : A 417 THR OG1 : rot 88:sc= 1.19 USER MOD Single : A 418 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 425 SER OG : rot 180:sc= 0 USER MOD Single : A 428 THR OG1 : rot 180:sc= 0 USER MOD Single : A 436 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 439 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 CYS SG : rot 83:sc= 0.183 USER MOD Single : A 444 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 446 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 451 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.22) USER MOD Single : A 454 LYS NZ :NH3+ -136:sc= -1.01 (180deg=-2.77!) USER MOD Single : A 455 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 43 N SER A 379 -0.754 16.869 0.782 1.00 0.00 N ATOM 44 CA SER A 379 0.284 15.911 0.426 1.00 0.00 C ATOM 45 C SER A 379 0.337 14.776 1.443 1.00 0.00 C ATOM 46 O SER A 379 0.537 13.615 1.087 1.00 0.00 O ATOM 47 CB SER A 379 1.644 16.607 0.346 1.00 0.00 C ATOM 48 OG SER A 379 2.703 15.679 0.498 1.00 0.00 O ATOM 0 HA SER A 379 0.044 15.492 -0.551 1.00 0.00 H new ATOM 0 HB2 SER A 379 1.739 17.117 -0.613 1.00 0.00 H new ATOM 0 HB3 SER A 379 1.711 17.370 1.121 1.00 0.00 H new ATOM 0 HG SER A 379 3.067 15.451 -0.383 1.00 0.00 H new ATOM 54 N ILE A 380 0.159 15.123 2.713 1.00 0.00 N ATOM 55 CA ILE A 380 0.187 14.139 3.787 1.00 0.00 C ATOM 56 C ILE A 380 -1.111 13.337 3.836 1.00 0.00 C ATOM 57 O ILE A 380 -1.105 12.139 4.122 1.00 0.00 O ATOM 58 CB ILE A 380 0.435 14.815 5.156 1.00 0.00 C ATOM 59 CG1 ILE A 380 0.950 13.794 6.176 1.00 0.00 C ATOM 60 CG2 ILE A 380 -0.828 15.498 5.666 1.00 0.00 C ATOM 61 CD1 ILE A 380 -0.076 12.754 6.569 1.00 0.00 C ATOM 0 H ILE A 380 -0.006 16.080 3.023 1.00 0.00 H new ATOM 0 HA ILE A 380 1.011 13.457 3.578 1.00 0.00 H new ATOM 0 HB ILE A 380 1.199 15.581 5.021 1.00 0.00 H new ATOM 0 HG12 ILE A 380 1.824 13.291 5.763 1.00 0.00 H new ATOM 0 HG13 ILE A 380 1.279 14.322 7.071 1.00 0.00 H new ATOM 0 HG21 ILE A 380 -0.625 15.965 6.630 1.00 0.00 H new ATOM 0 HG22 ILE A 380 -1.143 16.260 4.953 1.00 0.00 H new ATOM 0 HG23 ILE A 380 -1.621 14.759 5.781 1.00 0.00 H new ATOM 0 HD11 ILE A 380 0.361 12.067 7.293 1.00 0.00 H new ATOM 0 HD12 ILE A 380 -0.941 13.246 7.013 1.00 0.00 H new ATOM 0 HD13 ILE A 380 -0.388 12.199 5.685 1.00 0.00 H new ATOM 73 N LYS A 381 -2.226 14.004 3.555 1.00 0.00 N ATOM 74 CA LYS A 381 -3.532 13.354 3.567 1.00 0.00 C ATOM 75 C LYS A 381 -3.566 12.176 2.597 1.00 0.00 C ATOM 76 O LYS A 381 -4.207 11.158 2.862 1.00 0.00 O ATOM 77 CB LYS A 381 -4.629 14.358 3.205 1.00 0.00 C ATOM 78 CG LYS A 381 -4.476 14.954 1.815 1.00 0.00 C ATOM 79 CD LYS A 381 -5.620 15.900 1.487 1.00 0.00 C ATOM 80 CE LYS A 381 -6.688 15.213 0.652 1.00 0.00 C ATOM 81 NZ LYS A 381 -7.925 16.033 0.548 1.00 0.00 N ATOM 0 H LYS A 381 -2.251 14.995 3.316 1.00 0.00 H new ATOM 0 HA LYS A 381 -3.711 12.977 4.574 1.00 0.00 H new ATOM 0 HB2 LYS A 381 -5.598 13.865 3.275 1.00 0.00 H new ATOM 0 HB3 LYS A 381 -4.628 15.164 3.939 1.00 0.00 H new ATOM 0 HG2 LYS A 381 -3.529 15.490 1.750 1.00 0.00 H new ATOM 0 HG3 LYS A 381 -4.441 14.153 1.076 1.00 0.00 H new ATOM 0 HD2 LYS A 381 -6.062 16.272 2.411 1.00 0.00 H new ATOM 0 HD3 LYS A 381 -5.235 16.765 0.947 1.00 0.00 H new ATOM 0 HE2 LYS A 381 -6.298 15.017 -0.347 1.00 0.00 H new ATOM 0 HE3 LYS A 381 -6.929 14.247 1.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 -8.628 15.529 -0.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 -8.312 16.199 1.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 -7.700 16.945 0.102 1.00 0.00 H new ATOM 95 N LYS A 382 -2.870 12.322 1.476 1.00 0.00 N ATOM 96 CA LYS A 382 -2.821 11.271 0.467 1.00 0.00 C ATOM 97 C LYS A 382 -2.017 10.072 0.956 1.00 0.00 C ATOM 98 O LYS A 382 -2.463 8.929 0.850 1.00 0.00 O ATOM 99 CB LYS A 382 -2.213 11.811 -0.830 1.00 0.00 C ATOM 100 CG LYS A 382 -3.110 12.800 -1.556 1.00 0.00 C ATOM 101 CD LYS A 382 -2.973 12.673 -3.065 1.00 0.00 C ATOM 102 CE LYS A 382 -4.048 11.770 -3.648 1.00 0.00 C ATOM 103 NZ LYS A 382 -5.345 12.482 -3.811 1.00 0.00 N ATOM 0 H LYS A 382 -2.332 13.157 1.243 1.00 0.00 H new ATOM 0 HA LYS A 382 -3.843 10.942 0.277 1.00 0.00 H new ATOM 0 HB2 LYS A 382 -1.263 12.294 -0.603 1.00 0.00 H new ATOM 0 HB3 LYS A 382 -1.995 10.975 -1.495 1.00 0.00 H new ATOM 0 HG2 LYS A 382 -4.148 12.631 -1.268 1.00 0.00 H new ATOM 0 HG3 LYS A 382 -2.856 13.815 -1.251 1.00 0.00 H new ATOM 0 HD2 LYS A 382 -3.039 13.660 -3.522 1.00 0.00 H new ATOM 0 HD3 LYS A 382 -1.989 12.274 -3.310 1.00 0.00 H new ATOM 0 HE2 LYS A 382 -3.718 11.391 -4.615 1.00 0.00 H new ATOM 0 HE3 LYS A 382 -4.188 10.906 -2.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 382 -6.050 11.831 -4.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 382 -5.673 12.822 -2.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 382 -5.219 13.292 -4.451 1.00 0.00 H new ATOM 117 N ILE A 383 -0.824 10.333 1.488 1.00 0.00 N ATOM 118 CA ILE A 383 0.039 9.267 1.983 1.00 0.00 C ATOM 119 C ILE A 383 -0.550 8.597 3.223 1.00 0.00 C ATOM 120 O ILE A 383 -0.453 7.381 3.382 1.00 0.00 O ATOM 121 CB ILE A 383 1.463 9.782 2.292 1.00 0.00 C ATOM 122 CG1 ILE A 383 2.440 8.611 2.383 1.00 0.00 C ATOM 123 CG2 ILE A 383 1.485 10.599 3.578 1.00 0.00 C ATOM 124 CD1 ILE A 383 2.494 7.772 1.124 1.00 0.00 C ATOM 0 H ILE A 383 -0.436 11.271 1.586 1.00 0.00 H new ATOM 0 HA ILE A 383 0.105 8.526 1.187 1.00 0.00 H new ATOM 0 HB ILE A 383 1.773 10.435 1.476 1.00 0.00 H new ATOM 0 HG12 ILE A 383 3.437 8.996 2.597 1.00 0.00 H new ATOM 0 HG13 ILE A 383 2.156 7.976 3.222 1.00 0.00 H new ATOM 0 HG21 ILE A 383 2.500 10.948 3.770 1.00 0.00 H new ATOM 0 HG22 ILE A 383 0.820 11.456 3.476 1.00 0.00 H new ATOM 0 HG23 ILE A 383 1.152 9.978 4.409 1.00 0.00 H new ATOM 0 HD11 ILE A 383 3.207 6.959 1.259 1.00 0.00 H new ATOM 0 HD12 ILE A 383 1.506 7.358 0.920 1.00 0.00 H new ATOM 0 HD13 ILE A 383 2.807 8.394 0.285 1.00 0.00 H new ATOM 136 N ILE A 384 -1.162 9.390 4.098 1.00 0.00 N ATOM 137 CA ILE A 384 -1.764 8.848 5.311 1.00 0.00 C ATOM 138 C ILE A 384 -2.979 7.993 4.970 1.00 0.00 C ATOM 139 O ILE A 384 -3.139 6.891 5.495 1.00 0.00 O ATOM 140 CB ILE A 384 -2.179 9.961 6.298 1.00 0.00 C ATOM 141 CG1 ILE A 384 -2.632 9.350 7.625 1.00 0.00 C ATOM 142 CG2 ILE A 384 -3.280 10.822 5.703 1.00 0.00 C ATOM 143 CD1 ILE A 384 -2.867 10.376 8.712 1.00 0.00 C ATOM 0 H ILE A 384 -1.254 10.400 3.991 1.00 0.00 H new ATOM 0 HA ILE A 384 -1.006 8.231 5.794 1.00 0.00 H new ATOM 0 HB ILE A 384 -1.314 10.597 6.486 1.00 0.00 H new ATOM 0 HG12 ILE A 384 -3.551 8.788 7.462 1.00 0.00 H new ATOM 0 HG13 ILE A 384 -1.879 8.639 7.964 1.00 0.00 H new ATOM 0 HG21 ILE A 384 -3.558 11.600 6.414 1.00 0.00 H new ATOM 0 HG22 ILE A 384 -2.924 11.283 4.782 1.00 0.00 H new ATOM 0 HG23 ILE A 384 -4.150 10.202 5.486 1.00 0.00 H new ATOM 0 HD11 ILE A 384 -3.186 9.873 9.625 1.00 0.00 H new ATOM 0 HD12 ILE A 384 -1.943 10.922 8.903 1.00 0.00 H new ATOM 0 HD13 ILE A 384 -3.641 11.073 8.393 1.00 0.00 H new ATOM 155 N HIS A 385 -3.824 8.504 4.079 1.00 0.00 N ATOM 156 CA HIS A 385 -5.016 7.776 3.661 1.00 0.00 C ATOM 157 C HIS A 385 -4.626 6.445 3.028 1.00 0.00 C ATOM 158 O HIS A 385 -5.060 5.378 3.471 1.00 0.00 O ATOM 159 CB HIS A 385 -5.829 8.609 2.669 1.00 0.00 C ATOM 160 CG HIS A 385 -6.885 9.449 3.317 1.00 0.00 C ATOM 161 ND1 HIS A 385 -6.814 9.867 4.630 1.00 0.00 N ATOM 162 CD2 HIS A 385 -8.043 9.952 2.826 1.00 0.00 C ATOM 163 CE1 HIS A 385 -7.883 10.589 4.918 1.00 0.00 C ATOM 164 NE2 HIS A 385 -8.643 10.656 3.842 1.00 0.00 N ATOM 0 H HIS A 385 -3.706 9.415 3.635 1.00 0.00 H new ATOM 0 HA HIS A 385 -5.629 7.582 4.541 1.00 0.00 H new ATOM 0 HB2 HIS A 385 -5.153 9.257 2.111 1.00 0.00 H new ATOM 0 HB3 HIS A 385 -6.299 7.942 1.947 1.00 0.00 H new ATOM 0 HD2 HIS A 385 -8.423 9.824 1.823 1.00 0.00 H new ATOM 0 HE1 HIS A 385 -8.098 11.046 5.872 1.00 0.00 H new ATOM 0 HE2 HIS A 385 -9.533 11.151 3.775 1.00 0.00 H new ATOM 173 N VAL A 386 -3.789 6.513 1.995 1.00 0.00 N ATOM 174 CA VAL A 386 -3.328 5.313 1.312 1.00 0.00 C ATOM 175 C VAL A 386 -2.607 4.392 2.288 1.00 0.00 C ATOM 176 O VAL A 386 -2.714 3.170 2.198 1.00 0.00 O ATOM 177 CB VAL A 386 -2.385 5.651 0.141 1.00 0.00 C ATOM 178 CG1 VAL A 386 -3.128 6.431 -0.934 1.00 0.00 C ATOM 179 CG2 VAL A 386 -1.175 6.429 0.634 1.00 0.00 C ATOM 0 H VAL A 386 -3.419 7.385 1.616 1.00 0.00 H new ATOM 0 HA VAL A 386 -4.208 4.810 0.911 1.00 0.00 H new ATOM 0 HB VAL A 386 -2.032 4.717 -0.297 1.00 0.00 H new ATOM 0 HG11 VAL A 386 -2.447 6.661 -1.753 1.00 0.00 H new ATOM 0 HG12 VAL A 386 -3.958 5.833 -1.310 1.00 0.00 H new ATOM 0 HG13 VAL A 386 -3.512 7.359 -0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 386 -0.522 6.658 -0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 386 -1.505 7.357 1.100 1.00 0.00 H new ATOM 0 HG23 VAL A 386 -0.630 5.830 1.364 1.00 0.00 H new ATOM 189 N LEU A 387 -1.882 4.990 3.232 1.00 0.00 N ATOM 190 CA LEU A 387 -1.157 4.220 4.235 1.00 0.00 C ATOM 191 C LEU A 387 -2.124 3.348 5.026 1.00 0.00 C ATOM 192 O LEU A 387 -1.900 2.150 5.194 1.00 0.00 O ATOM 193 CB LEU A 387 -0.395 5.150 5.180 1.00 0.00 C ATOM 194 CG LEU A 387 0.327 4.451 6.333 1.00 0.00 C ATOM 195 CD1 LEU A 387 1.653 3.874 5.860 1.00 0.00 C ATOM 196 CD2 LEU A 387 0.546 5.419 7.487 1.00 0.00 C ATOM 0 H LEU A 387 -1.783 6.001 3.321 1.00 0.00 H new ATOM 0 HA LEU A 387 -0.437 3.580 3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 387 0.337 5.712 4.600 1.00 0.00 H new ATOM 0 HB3 LEU A 387 -1.096 5.874 5.596 1.00 0.00 H new ATOM 0 HG LEU A 387 -0.298 3.630 6.685 1.00 0.00 H new ATOM 0 HD11 LEU A 387 2.153 3.380 6.693 1.00 0.00 H new ATOM 0 HD12 LEU A 387 1.472 3.150 5.065 1.00 0.00 H new ATOM 0 HD13 LEU A 387 2.285 4.677 5.482 1.00 0.00 H new ATOM 0 HD21 LEU A 387 1.061 4.906 8.299 1.00 0.00 H new ATOM 0 HD22 LEU A 387 1.151 6.259 7.147 1.00 0.00 H new ATOM 0 HD23 LEU A 387 -0.417 5.786 7.842 1.00 0.00 H new ATOM 208 N GLU A 388 -3.212 3.955 5.494 1.00 0.00 N ATOM 209 CA GLU A 388 -4.224 3.227 6.247 1.00 0.00 C ATOM 210 C GLU A 388 -4.779 2.092 5.396 1.00 0.00 C ATOM 211 O GLU A 388 -4.857 0.944 5.839 1.00 0.00 O ATOM 212 CB GLU A 388 -5.354 4.166 6.675 1.00 0.00 C ATOM 213 CG GLU A 388 -5.135 4.799 8.039 1.00 0.00 C ATOM 214 CD GLU A 388 -5.947 6.066 8.231 1.00 0.00 C ATOM 215 OE1 GLU A 388 -5.459 7.148 7.841 1.00 0.00 O ATOM 216 OE2 GLU A 388 -7.070 5.976 8.770 1.00 0.00 O ATOM 0 H GLU A 388 -3.413 4.947 5.364 1.00 0.00 H new ATOM 0 HA GLU A 388 -3.764 2.812 7.144 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -5.461 4.955 5.931 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.292 3.610 6.688 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.400 4.081 8.815 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -4.077 5.028 8.164 1.00 0.00 H new ATOM 223 N LYS A 389 -5.140 2.421 4.159 1.00 0.00 N ATOM 224 CA LYS A 389 -5.663 1.429 3.229 1.00 0.00 C ATOM 225 C LYS A 389 -4.637 0.318 3.027 1.00 0.00 C ATOM 226 O LYS A 389 -4.948 -0.866 3.161 1.00 0.00 O ATOM 227 CB LYS A 389 -6.009 2.089 1.888 1.00 0.00 C ATOM 228 CG LYS A 389 -6.337 1.102 0.774 1.00 0.00 C ATOM 229 CD LYS A 389 -7.280 0.011 1.252 1.00 0.00 C ATOM 230 CE LYS A 389 -8.645 0.572 1.615 1.00 0.00 C ATOM 231 NZ LYS A 389 -9.500 -0.439 2.296 1.00 0.00 N ATOM 0 H LYS A 389 -5.080 3.366 3.779 1.00 0.00 H new ATOM 0 HA LYS A 389 -6.573 0.997 3.645 1.00 0.00 H new ATOM 0 HB2 LYS A 389 -6.861 2.754 2.032 1.00 0.00 H new ATOM 0 HB3 LYS A 389 -5.170 2.709 1.574 1.00 0.00 H new ATOM 0 HG2 LYS A 389 -6.790 1.634 -0.062 1.00 0.00 H new ATOM 0 HG3 LYS A 389 -5.416 0.651 0.404 1.00 0.00 H new ATOM 0 HD2 LYS A 389 -7.391 -0.742 0.472 1.00 0.00 H new ATOM 0 HD3 LYS A 389 -6.849 -0.489 2.119 1.00 0.00 H new ATOM 0 HE2 LYS A 389 -8.520 1.438 2.265 1.00 0.00 H new ATOM 0 HE3 LYS A 389 -9.146 0.921 0.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 -10.422 -0.016 2.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 -9.641 -1.255 1.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 -9.035 -0.754 3.172 1.00 0.00 H new ATOM 245 N VAL A 390 -3.408 0.716 2.721 1.00 0.00 N ATOM 246 CA VAL A 390 -2.322 -0.234 2.517 1.00 0.00 C ATOM 247 C VAL A 390 -2.093 -1.058 3.780 1.00 0.00 C ATOM 248 O VAL A 390 -1.804 -2.252 3.710 1.00 0.00 O ATOM 249 CB VAL A 390 -1.012 0.479 2.128 1.00 0.00 C ATOM 250 CG1 VAL A 390 0.111 -0.527 1.920 1.00 0.00 C ATOM 251 CG2 VAL A 390 -1.217 1.323 0.878 1.00 0.00 C ATOM 0 H VAL A 390 -3.138 1.693 2.608 1.00 0.00 H new ATOM 0 HA VAL A 390 -2.614 -0.891 1.698 1.00 0.00 H new ATOM 0 HB VAL A 390 -0.726 1.139 2.947 1.00 0.00 H new ATOM 0 HG11 VAL A 390 1.025 -0.000 1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 390 0.276 -1.084 2.842 1.00 0.00 H new ATOM 0 HG13 VAL A 390 -0.162 -1.218 1.122 1.00 0.00 H new ATOM 0 HG21 VAL A 390 -0.282 1.820 0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 390 -1.530 0.682 0.054 1.00 0.00 H new ATOM 0 HG23 VAL A 390 -1.986 2.072 1.067 1.00 0.00 H new ATOM 261 N GLN A 391 -2.236 -0.413 4.937 1.00 0.00 N ATOM 262 CA GLN A 391 -2.057 -1.093 6.214 1.00 0.00 C ATOM 263 C GLN A 391 -3.007 -2.279 6.314 1.00 0.00 C ATOM 264 O GLN A 391 -2.582 -3.419 6.514 1.00 0.00 O ATOM 265 CB GLN A 391 -2.302 -0.124 7.374 1.00 0.00 C ATOM 266 CG GLN A 391 -1.464 -0.423 8.604 1.00 0.00 C ATOM 267 CD GLN A 391 -1.263 0.796 9.483 1.00 0.00 C ATOM 268 OE1 GLN A 391 -0.134 1.202 9.752 1.00 0.00 O ATOM 269 NE2 GLN A 391 -2.363 1.386 9.937 1.00 0.00 N ATOM 0 H GLN A 391 -2.474 0.576 5.014 1.00 0.00 H new ATOM 0 HA GLN A 391 -1.031 -1.456 6.274 1.00 0.00 H new ATOM 0 HB2 GLN A 391 -2.091 0.891 7.039 1.00 0.00 H new ATOM 0 HB3 GLN A 391 -3.357 -0.156 7.647 1.00 0.00 H new ATOM 0 HG2 GLN A 391 -1.946 -1.210 9.185 1.00 0.00 H new ATOM 0 HG3 GLN A 391 -0.492 -0.806 8.293 1.00 0.00 H new ATOM 0 HE21 GLN A 391 -3.280 1.015 9.689 1.00 0.00 H new ATOM 0 HE22 GLN A 391 -2.291 2.210 10.534 1.00 0.00 H new ATOM 278 N TYR A 392 -4.300 -2.007 6.150 1.00 0.00 N ATOM 279 CA TYR A 392 -5.308 -3.058 6.200 1.00 0.00 C ATOM 280 C TYR A 392 -4.985 -4.129 5.166 1.00 0.00 C ATOM 281 O TYR A 392 -5.065 -5.326 5.445 1.00 0.00 O ATOM 282 CB TYR A 392 -6.701 -2.479 5.941 1.00 0.00 C ATOM 283 CG TYR A 392 -6.965 -1.181 6.668 1.00 0.00 C ATOM 284 CD1 TYR A 392 -6.745 -1.072 8.034 1.00 0.00 C ATOM 285 CD2 TYR A 392 -7.433 -0.063 5.987 1.00 0.00 C ATOM 286 CE1 TYR A 392 -6.984 0.114 8.703 1.00 0.00 C ATOM 287 CE2 TYR A 392 -7.674 1.126 6.648 1.00 0.00 C ATOM 288 CZ TYR A 392 -7.448 1.210 8.007 1.00 0.00 C ATOM 289 OH TYR A 392 -7.687 2.392 8.669 1.00 0.00 O ATOM 0 H TYR A 392 -4.671 -1.072 5.982 1.00 0.00 H new ATOM 0 HA TYR A 392 -5.301 -3.505 7.194 1.00 0.00 H new ATOM 0 HB2 TYR A 392 -6.824 -2.317 4.870 1.00 0.00 H new ATOM 0 HB3 TYR A 392 -7.451 -3.212 6.240 1.00 0.00 H new ATOM 0 HD1 TYR A 392 -6.381 -1.928 8.583 1.00 0.00 H new ATOM 0 HD2 TYR A 392 -7.611 -0.125 4.924 1.00 0.00 H new ATOM 0 HE1 TYR A 392 -6.808 0.182 9.766 1.00 0.00 H new ATOM 0 HE2 TYR A 392 -8.037 1.985 6.104 1.00 0.00 H new ATOM 0 HH TYR A 392 -8.009 3.064 8.033 1.00 0.00 H new ATOM 299 N LEU A 393 -4.596 -3.682 3.975 1.00 0.00 N ATOM 300 CA LEU A 393 -4.233 -4.593 2.900 1.00 0.00 C ATOM 301 C LEU A 393 -3.028 -5.429 3.311 1.00 0.00 C ATOM 302 O LEU A 393 -2.942 -6.614 2.989 1.00 0.00 O ATOM 303 CB LEU A 393 -3.923 -3.807 1.621 1.00 0.00 C ATOM 304 CG LEU A 393 -4.982 -3.914 0.524 1.00 0.00 C ATOM 305 CD1 LEU A 393 -5.131 -2.587 -0.205 1.00 0.00 C ATOM 306 CD2 LEU A 393 -4.627 -5.024 -0.453 1.00 0.00 C ATOM 0 H LEU A 393 -4.525 -2.694 3.733 1.00 0.00 H new ATOM 0 HA LEU A 393 -5.073 -5.259 2.703 1.00 0.00 H new ATOM 0 HB2 LEU A 393 -3.795 -2.756 1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 393 -2.971 -4.155 1.221 1.00 0.00 H new ATOM 0 HG LEU A 393 -5.937 -4.159 0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 393 -5.889 -2.682 -0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 393 -5.432 -1.815 0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 393 -4.179 -2.312 -0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 393 -5.392 -5.086 -1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 393 -3.662 -4.809 -0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 393 -4.572 -5.974 0.079 1.00 0.00 H new ATOM 318 N GLU A 394 -2.108 -4.803 4.040 1.00 0.00 N ATOM 319 CA GLU A 394 -0.914 -5.488 4.516 1.00 0.00 C ATOM 320 C GLU A 394 -1.304 -6.650 5.418 1.00 0.00 C ATOM 321 O GLU A 394 -0.805 -7.766 5.269 1.00 0.00 O ATOM 322 CB GLU A 394 -0.008 -4.516 5.274 1.00 0.00 C ATOM 323 CG GLU A 394 1.395 -5.051 5.510 1.00 0.00 C ATOM 324 CD GLU A 394 2.321 -4.011 6.111 1.00 0.00 C ATOM 325 OE1 GLU A 394 1.859 -3.226 6.964 1.00 0.00 O ATOM 326 OE2 GLU A 394 3.510 -3.983 5.726 1.00 0.00 O ATOM 0 H GLU A 394 -2.168 -3.822 4.313 1.00 0.00 H new ATOM 0 HA GLU A 394 -0.367 -5.875 3.656 1.00 0.00 H new ATOM 0 HB2 GLU A 394 0.057 -3.582 4.715 1.00 0.00 H new ATOM 0 HB3 GLU A 394 -0.465 -4.281 6.235 1.00 0.00 H new ATOM 0 HG2 GLU A 394 1.344 -5.914 6.174 1.00 0.00 H new ATOM 0 HG3 GLU A 394 1.811 -5.400 4.565 1.00 0.00 H new ATOM 333 N GLN A 395 -2.217 -6.382 6.347 1.00 0.00 N ATOM 334 CA GLN A 395 -2.691 -7.409 7.264 1.00 0.00 C ATOM 335 C GLN A 395 -3.372 -8.531 6.488 1.00 0.00 C ATOM 336 O GLN A 395 -3.170 -9.712 6.776 1.00 0.00 O ATOM 337 CB GLN A 395 -3.664 -6.811 8.281 1.00 0.00 C ATOM 338 CG GLN A 395 -2.981 -6.225 9.506 1.00 0.00 C ATOM 339 CD GLN A 395 -3.964 -5.652 10.506 1.00 0.00 C ATOM 340 OE1 GLN A 395 -4.677 -6.390 11.189 1.00 0.00 O ATOM 341 NE2 GLN A 395 -4.012 -4.328 10.599 1.00 0.00 N ATOM 0 H GLN A 395 -2.641 -5.464 6.483 1.00 0.00 H new ATOM 0 HA GLN A 395 -1.834 -7.817 7.800 1.00 0.00 H new ATOM 0 HB2 GLN A 395 -4.251 -6.032 7.795 1.00 0.00 H new ATOM 0 HB3 GLN A 395 -4.363 -7.584 8.600 1.00 0.00 H new ATOM 0 HG2 GLN A 395 -2.386 -6.999 9.990 1.00 0.00 H new ATOM 0 HG3 GLN A 395 -2.290 -5.442 9.192 1.00 0.00 H new ATOM 0 HE21 GLN A 395 -3.404 -3.753 10.015 1.00 0.00 H new ATOM 0 HE22 GLN A 395 -4.656 -3.886 11.254 1.00 0.00 H new ATOM 350 N GLU A 396 -4.172 -8.152 5.496 1.00 0.00 N ATOM 351 CA GLU A 396 -4.878 -9.125 4.670 1.00 0.00 C ATOM 352 C GLU A 396 -3.891 -10.012 3.918 1.00 0.00 C ATOM 353 O GLU A 396 -3.912 -11.234 4.056 1.00 0.00 O ATOM 354 CB GLU A 396 -5.799 -8.414 3.677 1.00 0.00 C ATOM 355 CG GLU A 396 -6.604 -7.281 4.294 1.00 0.00 C ATOM 356 CD GLU A 396 -8.094 -7.423 4.054 1.00 0.00 C ATOM 357 OE1 GLU A 396 -8.582 -8.572 4.016 1.00 0.00 O ATOM 358 OE2 GLU A 396 -8.774 -6.386 3.906 1.00 0.00 O ATOM 0 H GLU A 396 -4.347 -7.179 5.245 1.00 0.00 H new ATOM 0 HA GLU A 396 -5.481 -9.752 5.326 1.00 0.00 H new ATOM 0 HB2 GLU A 396 -5.199 -8.018 2.858 1.00 0.00 H new ATOM 0 HB3 GLU A 396 -6.485 -9.143 3.246 1.00 0.00 H new ATOM 0 HG2 GLU A 396 -6.415 -7.249 5.367 1.00 0.00 H new ATOM 0 HG3 GLU A 396 -6.263 -6.332 3.881 1.00 0.00 H new ATOM 365 N VAL A 397 -3.024 -9.389 3.123 1.00 0.00 N ATOM 366 CA VAL A 397 -2.029 -10.129 2.353 1.00 0.00 C ATOM 367 C VAL A 397 -1.199 -11.031 3.259 1.00 0.00 C ATOM 368 O VAL A 397 -0.837 -12.145 2.881 1.00 0.00 O ATOM 369 CB VAL A 397 -1.089 -9.182 1.579 1.00 0.00 C ATOM 370 CG1 VAL A 397 -1.878 -8.324 0.604 1.00 0.00 C ATOM 371 CG2 VAL A 397 -0.290 -8.312 2.538 1.00 0.00 C ATOM 0 H VAL A 397 -2.991 -8.378 2.996 1.00 0.00 H new ATOM 0 HA VAL A 397 -2.575 -10.741 1.635 1.00 0.00 H new ATOM 0 HB VAL A 397 -0.387 -9.790 1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 397 -1.197 -7.663 0.068 1.00 0.00 H new ATOM 0 HG12 VAL A 397 -2.397 -8.966 -0.108 1.00 0.00 H new ATOM 0 HG13 VAL A 397 -2.607 -7.727 1.152 1.00 0.00 H new ATOM 0 HG21 VAL A 397 0.366 -7.652 1.970 1.00 0.00 H new ATOM 0 HG22 VAL A 397 -0.973 -7.714 3.141 1.00 0.00 H new ATOM 0 HG23 VAL A 397 0.310 -8.946 3.191 1.00 0.00 H new ATOM 381 N GLU A 398 -0.909 -10.546 4.463 1.00 0.00 N ATOM 382 CA GLU A 398 -0.130 -11.310 5.427 1.00 0.00 C ATOM 383 C GLU A 398 -0.926 -12.515 5.916 1.00 0.00 C ATOM 384 O GLU A 398 -0.373 -13.594 6.132 1.00 0.00 O ATOM 385 CB GLU A 398 0.266 -10.430 6.612 1.00 0.00 C ATOM 386 CG GLU A 398 1.593 -9.713 6.421 1.00 0.00 C ATOM 387 CD GLU A 398 2.249 -9.339 7.736 1.00 0.00 C ATOM 388 OE1 GLU A 398 2.231 -10.173 8.665 1.00 0.00 O ATOM 389 OE2 GLU A 398 2.781 -8.214 7.835 1.00 0.00 O ATOM 0 H GLU A 398 -1.203 -9.627 4.793 1.00 0.00 H new ATOM 0 HA GLU A 398 0.776 -11.662 4.934 1.00 0.00 H new ATOM 0 HB2 GLU A 398 -0.516 -9.690 6.782 1.00 0.00 H new ATOM 0 HB3 GLU A 398 0.322 -11.047 7.509 1.00 0.00 H new ATOM 0 HG2 GLU A 398 2.268 -10.352 5.851 1.00 0.00 H new ATOM 0 HG3 GLU A 398 1.433 -8.811 5.830 1.00 0.00 H new ATOM 396 N GLU A 399 -2.230 -12.321 6.085 1.00 0.00 N ATOM 397 CA GLU A 399 -3.109 -13.391 6.544 1.00 0.00 C ATOM 398 C GLU A 399 -3.661 -14.199 5.369 1.00 0.00 C ATOM 399 O GLU A 399 -4.338 -15.207 5.566 1.00 0.00 O ATOM 400 CB GLU A 399 -4.264 -12.811 7.365 1.00 0.00 C ATOM 401 CG GLU A 399 -3.959 -12.701 8.849 1.00 0.00 C ATOM 402 CD GLU A 399 -4.786 -11.633 9.538 1.00 0.00 C ATOM 403 OE1 GLU A 399 -5.839 -11.251 8.985 1.00 0.00 O ATOM 404 OE2 GLU A 399 -4.381 -11.179 10.628 1.00 0.00 O ATOM 0 H GLU A 399 -2.701 -11.433 5.911 1.00 0.00 H new ATOM 0 HA GLU A 399 -2.521 -14.061 7.171 1.00 0.00 H new ATOM 0 HB2 GLU A 399 -4.513 -11.822 6.979 1.00 0.00 H new ATOM 0 HB3 GLU A 399 -5.146 -13.437 7.229 1.00 0.00 H new ATOM 0 HG2 GLU A 399 -4.145 -13.663 9.326 1.00 0.00 H new ATOM 0 HG3 GLU A 399 -2.900 -12.478 8.983 1.00 0.00 H new ATOM 411 N PHE A 400 -3.370 -13.754 4.145 1.00 0.00 N ATOM 412 CA PHE A 400 -3.841 -14.441 2.944 1.00 0.00 C ATOM 413 C PHE A 400 -3.591 -15.946 3.042 1.00 0.00 C ATOM 414 O PHE A 400 -2.598 -16.385 3.622 1.00 0.00 O ATOM 415 CB PHE A 400 -3.152 -13.869 1.700 1.00 0.00 C ATOM 416 CG PHE A 400 -3.651 -14.461 0.413 1.00 0.00 C ATOM 417 CD1 PHE A 400 -4.925 -14.171 -0.053 1.00 0.00 C ATOM 418 CD2 PHE A 400 -2.851 -15.316 -0.327 1.00 0.00 C ATOM 419 CE1 PHE A 400 -5.388 -14.725 -1.231 1.00 0.00 C ATOM 420 CE2 PHE A 400 -3.309 -15.871 -1.507 1.00 0.00 C ATOM 421 CZ PHE A 400 -4.579 -15.576 -1.957 1.00 0.00 C ATOM 0 H PHE A 400 -2.811 -12.921 3.961 1.00 0.00 H new ATOM 0 HA PHE A 400 -4.915 -14.279 2.859 1.00 0.00 H new ATOM 0 HB2 PHE A 400 -3.301 -12.790 1.676 1.00 0.00 H new ATOM 0 HB3 PHE A 400 -2.078 -14.041 1.778 1.00 0.00 H new ATOM 0 HD1 PHE A 400 -5.562 -13.505 0.511 1.00 0.00 H new ATOM 0 HD2 PHE A 400 -1.857 -15.552 0.023 1.00 0.00 H new ATOM 0 HE1 PHE A 400 -6.382 -14.492 -1.584 1.00 0.00 H new ATOM 0 HE2 PHE A 400 -2.674 -16.534 -2.075 1.00 0.00 H new ATOM 0 HZ PHE A 400 -4.940 -16.011 -2.877 1.00 0.00 H new ATOM 431 N VAL A 401 -4.508 -16.731 2.479 1.00 0.00 N ATOM 432 CA VAL A 401 -4.403 -18.190 2.506 1.00 0.00 C ATOM 433 C VAL A 401 -2.990 -18.663 2.157 1.00 0.00 C ATOM 434 O VAL A 401 -2.392 -19.450 2.888 1.00 0.00 O ATOM 435 CB VAL A 401 -5.419 -18.838 1.542 1.00 0.00 C ATOM 436 CG1 VAL A 401 -5.286 -18.252 0.146 1.00 0.00 C ATOM 437 CG2 VAL A 401 -5.251 -20.351 1.513 1.00 0.00 C ATOM 0 H VAL A 401 -5.335 -16.380 1.997 1.00 0.00 H new ATOM 0 HA VAL A 401 -4.629 -18.504 3.525 1.00 0.00 H new ATOM 0 HB VAL A 401 -6.422 -18.618 1.908 1.00 0.00 H new ATOM 0 HG11 VAL A 401 -6.012 -18.723 -0.517 1.00 0.00 H new ATOM 0 HG12 VAL A 401 -5.472 -17.179 0.183 1.00 0.00 H new ATOM 0 HG13 VAL A 401 -4.279 -18.433 -0.230 1.00 0.00 H new ATOM 0 HG21 VAL A 401 -5.978 -20.785 0.827 1.00 0.00 H new ATOM 0 HG22 VAL A 401 -4.244 -20.599 1.179 1.00 0.00 H new ATOM 0 HG23 VAL A 401 -5.411 -20.754 2.513 1.00 0.00 H new ATOM 447 N GLY A 402 -2.466 -18.178 1.036 1.00 0.00 N ATOM 448 CA GLY A 402 -1.131 -18.564 0.614 1.00 0.00 C ATOM 449 C GLY A 402 -1.114 -19.222 -0.753 1.00 0.00 C ATOM 450 O GLY A 402 -0.193 -19.973 -1.075 1.00 0.00 O ATOM 0 H GLY A 402 -2.941 -17.525 0.412 1.00 0.00 H new ATOM 0 HA2 GLY A 402 -0.491 -17.682 0.595 1.00 0.00 H new ATOM 0 HA3 GLY A 402 -0.707 -19.250 1.348 1.00 0.00 H new ATOM 454 N LYS A 403 -2.131 -18.938 -1.562 1.00 0.00 N ATOM 455 CA LYS A 403 -2.225 -19.508 -2.900 1.00 0.00 C ATOM 456 C LYS A 403 -2.915 -18.538 -3.854 1.00 0.00 C ATOM 457 O LYS A 403 -3.859 -17.847 -3.473 1.00 0.00 O ATOM 458 CB LYS A 403 -2.986 -20.833 -2.861 1.00 0.00 C ATOM 459 CG LYS A 403 -2.095 -22.042 -2.628 1.00 0.00 C ATOM 460 CD LYS A 403 -2.708 -23.308 -3.204 1.00 0.00 C ATOM 461 CE LYS A 403 -3.377 -24.143 -2.124 1.00 0.00 C ATOM 462 NZ LYS A 403 -3.955 -25.401 -2.672 1.00 0.00 N ATOM 0 H LYS A 403 -2.901 -18.317 -1.313 1.00 0.00 H new ATOM 0 HA LYS A 403 -1.214 -19.691 -3.263 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -3.736 -20.788 -2.072 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -3.521 -20.963 -3.802 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -1.120 -21.869 -3.084 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -1.929 -22.172 -1.559 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -3.440 -23.045 -3.968 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -1.934 -23.898 -3.695 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -2.649 -24.385 -1.350 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -4.165 -23.558 -1.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -4.402 -25.941 -1.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -4.668 -25.170 -3.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -3.199 -25.971 -3.103 1.00 0.00 H new ATOM 476 N LYS A 404 -2.438 -18.492 -5.094 1.00 0.00 N ATOM 477 CA LYS A 404 -3.009 -17.603 -6.099 1.00 0.00 C ATOM 478 C LYS A 404 -4.218 -18.248 -6.776 1.00 0.00 C ATOM 479 O LYS A 404 -4.259 -18.380 -7.999 1.00 0.00 O ATOM 480 CB LYS A 404 -1.954 -17.237 -7.145 1.00 0.00 C ATOM 481 CG LYS A 404 -1.318 -18.444 -7.816 1.00 0.00 C ATOM 482 CD LYS A 404 -0.402 -18.030 -8.957 1.00 0.00 C ATOM 483 CE LYS A 404 -1.183 -17.805 -10.241 1.00 0.00 C ATOM 484 NZ LYS A 404 -0.520 -16.804 -11.124 1.00 0.00 N ATOM 0 H LYS A 404 -1.658 -19.059 -5.426 1.00 0.00 H new ATOM 0 HA LYS A 404 -3.342 -16.694 -5.597 1.00 0.00 H new ATOM 0 HB2 LYS A 404 -2.413 -16.608 -7.907 1.00 0.00 H new ATOM 0 HB3 LYS A 404 -1.174 -16.643 -6.669 1.00 0.00 H new ATOM 0 HG2 LYS A 404 -0.750 -19.013 -7.080 1.00 0.00 H new ATOM 0 HG3 LYS A 404 -2.098 -19.104 -8.196 1.00 0.00 H new ATOM 0 HD2 LYS A 404 0.128 -17.117 -8.687 1.00 0.00 H new ATOM 0 HD3 LYS A 404 0.352 -18.800 -9.118 1.00 0.00 H new ATOM 0 HE2 LYS A 404 -1.285 -18.750 -10.775 1.00 0.00 H new ATOM 0 HE3 LYS A 404 -2.190 -17.466 -9.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 404 -1.083 -16.678 -11.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 404 -0.446 -15.895 -10.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 404 0.432 -17.139 -11.376 1.00 0.00 H new ATOM 498 N THR A 405 -5.197 -18.648 -5.972 1.00 0.00 N ATOM 499 CA THR A 405 -6.404 -19.279 -6.494 1.00 0.00 C ATOM 500 C THR A 405 -7.657 -18.510 -6.074 1.00 0.00 C ATOM 501 O THR A 405 -8.652 -18.488 -6.797 1.00 0.00 O ATOM 502 CB THR A 405 -6.497 -20.726 -6.011 1.00 0.00 C ATOM 503 OG1 THR A 405 -7.688 -21.335 -6.474 1.00 0.00 O ATOM 504 CG2 THR A 405 -6.471 -20.857 -4.503 1.00 0.00 C ATOM 0 H THR A 405 -5.179 -18.547 -4.957 1.00 0.00 H new ATOM 0 HA THR A 405 -6.343 -19.266 -7.582 1.00 0.00 H new ATOM 0 HB THR A 405 -5.616 -21.222 -6.418 1.00 0.00 H new ATOM 0 HG1 THR A 405 -7.727 -22.261 -6.155 1.00 0.00 H new ATOM 0 HG21 THR A 405 -6.540 -21.909 -4.228 1.00 0.00 H new ATOM 0 HG22 THR A 405 -5.540 -20.442 -4.118 1.00 0.00 H new ATOM 0 HG23 THR A 405 -7.314 -20.314 -4.076 1.00 0.00 H new ATOM 512 N ASP A 406 -7.600 -17.882 -4.904 1.00 0.00 N ATOM 513 CA ASP A 406 -8.731 -17.117 -4.391 1.00 0.00 C ATOM 514 C ASP A 406 -8.762 -15.715 -4.994 1.00 0.00 C ATOM 515 O ASP A 406 -7.762 -15.240 -5.535 1.00 0.00 O ATOM 516 CB ASP A 406 -8.662 -17.027 -2.865 1.00 0.00 C ATOM 517 CG ASP A 406 -9.918 -16.427 -2.263 1.00 0.00 C ATOM 518 OD1 ASP A 406 -10.884 -17.182 -2.031 1.00 0.00 O ATOM 519 OD2 ASP A 406 -9.934 -15.201 -2.025 1.00 0.00 O ATOM 0 H ASP A 406 -6.783 -17.888 -4.293 1.00 0.00 H new ATOM 0 HA ASP A 406 -9.646 -17.635 -4.678 1.00 0.00 H new ATOM 0 HB2 ASP A 406 -8.505 -18.023 -2.452 1.00 0.00 H new ATOM 0 HB3 ASP A 406 -7.801 -16.423 -2.578 1.00 0.00 H new ATOM 524 N LYS A 407 -9.914 -15.060 -4.896 1.00 0.00 N ATOM 525 CA LYS A 407 -10.077 -13.712 -5.431 1.00 0.00 C ATOM 526 C LYS A 407 -9.381 -12.679 -4.548 1.00 0.00 C ATOM 527 O LYS A 407 -9.096 -11.563 -4.988 1.00 0.00 O ATOM 528 CB LYS A 407 -11.561 -13.369 -5.563 1.00 0.00 C ATOM 529 CG LYS A 407 -12.313 -13.405 -4.241 1.00 0.00 C ATOM 530 CD LYS A 407 -13.727 -13.932 -4.417 1.00 0.00 C ATOM 531 CE LYS A 407 -14.748 -12.805 -4.416 1.00 0.00 C ATOM 532 NZ LYS A 407 -15.184 -12.452 -3.038 1.00 0.00 N ATOM 0 H LYS A 407 -10.749 -15.440 -4.451 1.00 0.00 H new ATOM 0 HA LYS A 407 -9.614 -13.686 -6.417 1.00 0.00 H new ATOM 0 HB2 LYS A 407 -11.658 -12.375 -6.000 1.00 0.00 H new ATOM 0 HB3 LYS A 407 -12.027 -14.069 -6.256 1.00 0.00 H new ATOM 0 HG2 LYS A 407 -11.775 -14.035 -3.532 1.00 0.00 H new ATOM 0 HG3 LYS A 407 -12.348 -12.403 -3.814 1.00 0.00 H new ATOM 0 HD2 LYS A 407 -13.796 -14.485 -5.354 1.00 0.00 H new ATOM 0 HD3 LYS A 407 -13.957 -14.633 -3.615 1.00 0.00 H new ATOM 0 HE2 LYS A 407 -14.319 -11.926 -4.897 1.00 0.00 H new ATOM 0 HE3 LYS A 407 -15.615 -13.100 -5.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 407 -15.880 -11.680 -3.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 407 -15.617 -13.283 -2.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 407 -14.361 -12.145 -2.481 1.00 0.00 H new ATOM 546 N ALA A 408 -9.109 -13.054 -3.300 1.00 0.00 N ATOM 547 CA ALA A 408 -8.448 -12.157 -2.361 1.00 0.00 C ATOM 548 C ALA A 408 -7.162 -11.591 -2.954 1.00 0.00 C ATOM 549 O ALA A 408 -7.002 -10.377 -3.062 1.00 0.00 O ATOM 550 CB ALA A 408 -8.161 -12.881 -1.053 1.00 0.00 C ATOM 0 H ALA A 408 -9.337 -13.972 -2.918 1.00 0.00 H new ATOM 0 HA ALA A 408 -9.119 -11.322 -2.159 1.00 0.00 H new ATOM 0 HB1 ALA A 408 -7.667 -12.199 -0.361 1.00 0.00 H new ATOM 0 HB2 ALA A 408 -9.098 -13.227 -0.616 1.00 0.00 H new ATOM 0 HB3 ALA A 408 -7.513 -13.736 -1.245 1.00 0.00 H new ATOM 556 N TYR A 409 -6.246 -12.473 -3.341 1.00 0.00 N ATOM 557 CA TYR A 409 -4.976 -12.048 -3.924 1.00 0.00 C ATOM 558 C TYR A 409 -5.205 -11.078 -5.078 1.00 0.00 C ATOM 559 O TYR A 409 -4.471 -10.101 -5.238 1.00 0.00 O ATOM 560 CB TYR A 409 -4.175 -13.255 -4.404 1.00 0.00 C ATOM 561 CG TYR A 409 -2.820 -12.894 -4.967 1.00 0.00 C ATOM 562 CD1 TYR A 409 -1.717 -12.754 -4.135 1.00 0.00 C ATOM 563 CD2 TYR A 409 -2.644 -12.690 -6.330 1.00 0.00 C ATOM 564 CE1 TYR A 409 -0.477 -12.421 -4.644 1.00 0.00 C ATOM 565 CE2 TYR A 409 -1.405 -12.359 -6.847 1.00 0.00 C ATOM 566 CZ TYR A 409 -0.327 -12.225 -5.999 1.00 0.00 C ATOM 567 OH TYR A 409 0.908 -11.893 -6.511 1.00 0.00 O ATOM 0 H TYR A 409 -6.358 -13.484 -3.262 1.00 0.00 H new ATOM 0 HA TYR A 409 -4.406 -11.535 -3.150 1.00 0.00 H new ATOM 0 HB2 TYR A 409 -4.041 -13.947 -3.572 1.00 0.00 H new ATOM 0 HB3 TYR A 409 -4.748 -13.781 -5.167 1.00 0.00 H new ATOM 0 HD1 TYR A 409 -1.831 -12.908 -3.072 1.00 0.00 H new ATOM 0 HD2 TYR A 409 -3.488 -12.792 -6.996 1.00 0.00 H new ATOM 0 HE1 TYR A 409 0.370 -12.315 -3.983 1.00 0.00 H new ATOM 0 HE2 TYR A 409 -1.283 -12.206 -7.909 1.00 0.00 H new ATOM 0 HH TYR A 409 0.842 -11.791 -7.484 1.00 0.00 H new ATOM 577 N TRP A 410 -6.236 -11.342 -5.880 1.00 0.00 N ATOM 578 CA TRP A 410 -6.560 -10.477 -7.007 1.00 0.00 C ATOM 579 C TRP A 410 -6.817 -9.058 -6.519 1.00 0.00 C ATOM 580 O TRP A 410 -6.115 -8.120 -6.902 1.00 0.00 O ATOM 581 CB TRP A 410 -7.795 -10.990 -7.749 1.00 0.00 C ATOM 582 CG TRP A 410 -7.661 -12.395 -8.250 1.00 0.00 C ATOM 583 CD1 TRP A 410 -6.509 -13.113 -8.399 1.00 0.00 C ATOM 584 CD2 TRP A 410 -8.726 -13.250 -8.673 1.00 0.00 C ATOM 585 NE1 TRP A 410 -6.796 -14.365 -8.888 1.00 0.00 N ATOM 586 CE2 TRP A 410 -8.150 -14.473 -9.065 1.00 0.00 C ATOM 587 CE3 TRP A 410 -10.113 -13.100 -8.756 1.00 0.00 C ATOM 588 CZ2 TRP A 410 -8.915 -15.540 -9.534 1.00 0.00 C ATOM 589 CZ3 TRP A 410 -10.872 -14.159 -9.222 1.00 0.00 C ATOM 590 CH2 TRP A 410 -10.271 -15.364 -9.604 1.00 0.00 C ATOM 0 H TRP A 410 -6.856 -12.144 -5.769 1.00 0.00 H new ATOM 0 HA TRP A 410 -5.712 -10.480 -7.692 1.00 0.00 H new ATOM 0 HB2 TRP A 410 -8.657 -10.932 -7.084 1.00 0.00 H new ATOM 0 HB3 TRP A 410 -7.999 -10.331 -8.593 1.00 0.00 H new ATOM 0 HD1 TRP A 410 -5.518 -12.751 -8.167 1.00 0.00 H new ATOM 0 HE1 TRP A 410 -6.112 -15.095 -9.087 1.00 0.00 H new ATOM 0 HE3 TRP A 410 -10.584 -12.174 -8.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 410 -8.455 -16.471 -9.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 410 -11.945 -14.054 -9.292 1.00 0.00 H new ATOM 0 HH2 TRP A 410 -10.891 -16.173 -9.962 1.00 0.00 H new ATOM 601 N LEU A 411 -7.822 -8.912 -5.662 1.00 0.00 N ATOM 602 CA LEU A 411 -8.165 -7.609 -5.110 1.00 0.00 C ATOM 603 C LEU A 411 -7.033 -7.082 -4.233 1.00 0.00 C ATOM 604 O LEU A 411 -6.879 -5.872 -4.063 1.00 0.00 O ATOM 605 CB LEU A 411 -9.466 -7.690 -4.307 1.00 0.00 C ATOM 606 CG LEU A 411 -9.499 -8.767 -3.221 1.00 0.00 C ATOM 607 CD1 LEU A 411 -8.807 -8.276 -1.959 1.00 0.00 C ATOM 608 CD2 LEU A 411 -10.935 -9.173 -2.921 1.00 0.00 C ATOM 0 H LEU A 411 -8.411 -9.678 -5.336 1.00 0.00 H new ATOM 0 HA LEU A 411 -8.312 -6.916 -5.938 1.00 0.00 H new ATOM 0 HB2 LEU A 411 -9.646 -6.722 -3.840 1.00 0.00 H new ATOM 0 HB3 LEU A 411 -10.290 -7.869 -4.998 1.00 0.00 H new ATOM 0 HG LEU A 411 -8.962 -9.642 -3.586 1.00 0.00 H new ATOM 0 HD11 LEU A 411 -8.841 -9.056 -1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 411 -7.768 -8.034 -2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 411 -9.315 -7.386 -1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 411 -10.942 -9.940 -2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 411 -11.494 -8.303 -2.576 1.00 0.00 H new ATOM 0 HD23 LEU A 411 -11.398 -9.567 -3.826 1.00 0.00 H new ATOM 620 N LEU A 412 -6.234 -7.998 -3.687 1.00 0.00 N ATOM 621 CA LEU A 412 -5.108 -7.623 -2.840 1.00 0.00 C ATOM 622 C LEU A 412 -4.130 -6.749 -3.621 1.00 0.00 C ATOM 623 O LEU A 412 -3.973 -5.560 -3.337 1.00 0.00 O ATOM 624 CB LEU A 412 -4.383 -8.873 -2.321 1.00 0.00 C ATOM 625 CG LEU A 412 -4.971 -9.510 -1.055 1.00 0.00 C ATOM 626 CD1 LEU A 412 -4.043 -10.588 -0.522 1.00 0.00 C ATOM 627 CD2 LEU A 412 -5.225 -8.454 0.008 1.00 0.00 C ATOM 0 H LEU A 412 -6.347 -9.003 -3.817 1.00 0.00 H new ATOM 0 HA LEU A 412 -5.492 -7.060 -1.989 1.00 0.00 H new ATOM 0 HB2 LEU A 412 -4.378 -9.622 -3.113 1.00 0.00 H new ATOM 0 HB3 LEU A 412 -3.343 -8.611 -2.124 1.00 0.00 H new ATOM 0 HG LEU A 412 -5.924 -9.971 -1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 412 -4.476 -11.029 0.376 1.00 0.00 H new ATOM 0 HD12 LEU A 412 -3.911 -11.361 -1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 412 -3.075 -10.148 -0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 412 -5.642 -8.926 0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 412 -4.286 -7.962 0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 412 -5.929 -7.715 -0.374 1.00 0.00 H new ATOM 639 N GLU A 413 -3.479 -7.351 -4.613 1.00 0.00 N ATOM 640 CA GLU A 413 -2.519 -6.635 -5.444 1.00 0.00 C ATOM 641 C GLU A 413 -3.199 -5.514 -6.221 1.00 0.00 C ATOM 642 O GLU A 413 -2.688 -4.396 -6.296 1.00 0.00 O ATOM 643 CB GLU A 413 -1.832 -7.600 -6.412 1.00 0.00 C ATOM 644 CG GLU A 413 -0.398 -7.219 -6.741 1.00 0.00 C ATOM 645 CD GLU A 413 -0.263 -6.576 -8.106 1.00 0.00 C ATOM 646 OE1 GLU A 413 -1.070 -6.907 -9.000 1.00 0.00 O ATOM 647 OE2 GLU A 413 0.650 -5.741 -8.282 1.00 0.00 O ATOM 0 H GLU A 413 -3.600 -8.333 -4.860 1.00 0.00 H new ATOM 0 HA GLU A 413 -1.769 -6.193 -4.789 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -1.843 -8.601 -5.981 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -2.408 -7.644 -7.336 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -0.026 -6.532 -5.982 1.00 0.00 H new ATOM 0 HG3 GLU A 413 0.229 -8.110 -6.700 1.00 0.00 H new ATOM 654 N GLU A 414 -4.358 -5.819 -6.799 1.00 0.00 N ATOM 655 CA GLU A 414 -5.112 -4.834 -7.571 1.00 0.00 C ATOM 656 C GLU A 414 -5.392 -3.590 -6.733 1.00 0.00 C ATOM 657 O GLU A 414 -5.037 -2.475 -7.119 1.00 0.00 O ATOM 658 CB GLU A 414 -6.427 -5.440 -8.063 1.00 0.00 C ATOM 659 CG GLU A 414 -7.059 -4.673 -9.212 1.00 0.00 C ATOM 660 CD GLU A 414 -8.566 -4.561 -9.080 1.00 0.00 C ATOM 661 OE1 GLU A 414 -9.031 -3.678 -8.327 1.00 0.00 O ATOM 662 OE2 GLU A 414 -9.279 -5.353 -9.728 1.00 0.00 O ATOM 0 H GLU A 414 -4.795 -6.739 -6.748 1.00 0.00 H new ATOM 0 HA GLU A 414 -4.511 -4.543 -8.433 1.00 0.00 H new ATOM 0 HB2 GLU A 414 -6.248 -6.468 -8.379 1.00 0.00 H new ATOM 0 HB3 GLU A 414 -7.132 -5.480 -7.233 1.00 0.00 H new ATOM 0 HG2 GLU A 414 -6.627 -3.673 -9.258 1.00 0.00 H new ATOM 0 HG3 GLU A 414 -6.816 -5.169 -10.152 1.00 0.00 H new ATOM 669 N MET A 415 -6.025 -3.791 -5.581 1.00 0.00 N ATOM 670 CA MET A 415 -6.346 -2.686 -4.685 1.00 0.00 C ATOM 671 C MET A 415 -5.087 -1.913 -4.315 1.00 0.00 C ATOM 672 O MET A 415 -5.068 -0.681 -4.352 1.00 0.00 O ATOM 673 CB MET A 415 -7.030 -3.211 -3.419 1.00 0.00 C ATOM 674 CG MET A 415 -7.558 -2.110 -2.513 1.00 0.00 C ATOM 675 SD MET A 415 -9.309 -1.772 -2.781 1.00 0.00 S ATOM 676 CE MET A 415 -10.046 -3.276 -2.150 1.00 0.00 C ATOM 0 H MET A 415 -6.325 -4.707 -5.247 1.00 0.00 H new ATOM 0 HA MET A 415 -7.029 -2.012 -5.202 1.00 0.00 H new ATOM 0 HB2 MET A 415 -7.856 -3.862 -3.705 1.00 0.00 H new ATOM 0 HB3 MET A 415 -6.322 -3.822 -2.860 1.00 0.00 H new ATOM 0 HG2 MET A 415 -7.402 -2.395 -1.472 1.00 0.00 H new ATOM 0 HG3 MET A 415 -6.985 -1.198 -2.684 1.00 0.00 H new ATOM 0 HE1 MET A 415 -11.069 -3.074 -1.831 1.00 0.00 H new ATOM 0 HE2 MET A 415 -10.053 -4.034 -2.933 1.00 0.00 H new ATOM 0 HE3 MET A 415 -9.466 -3.637 -1.301 1.00 0.00 H new ATOM 686 N LEU A 416 -4.032 -2.644 -3.966 1.00 0.00 N ATOM 687 CA LEU A 416 -2.766 -2.024 -3.598 1.00 0.00 C ATOM 688 C LEU A 416 -2.215 -1.195 -4.753 1.00 0.00 C ATOM 689 O LEU A 416 -1.725 -0.083 -4.555 1.00 0.00 O ATOM 690 CB LEU A 416 -1.748 -3.090 -3.193 1.00 0.00 C ATOM 691 CG LEU A 416 -0.653 -2.606 -2.241 1.00 0.00 C ATOM 692 CD1 LEU A 416 -1.268 -2.023 -0.975 1.00 0.00 C ATOM 693 CD2 LEU A 416 0.298 -3.744 -1.901 1.00 0.00 C ATOM 0 H LEU A 416 -4.030 -3.663 -3.931 1.00 0.00 H new ATOM 0 HA LEU A 416 -2.946 -1.364 -2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 416 -2.278 -3.918 -2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 416 -1.278 -3.484 -4.094 1.00 0.00 H new ATOM 0 HG LEU A 416 -0.083 -1.821 -2.739 1.00 0.00 H new ATOM 0 HD11 LEU A 416 -0.475 -1.683 -0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 416 -1.908 -1.180 -1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 416 -1.861 -2.788 -0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 416 1.071 -3.382 -1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 416 -0.257 -4.551 -1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 416 0.762 -4.116 -2.815 1.00 0.00 H new ATOM 705 N THR A 417 -2.306 -1.743 -5.963 1.00 0.00 N ATOM 706 CA THR A 417 -1.821 -1.051 -7.153 1.00 0.00 C ATOM 707 C THR A 417 -2.525 0.291 -7.317 1.00 0.00 C ATOM 708 O THR A 417 -1.881 1.322 -7.514 1.00 0.00 O ATOM 709 CB THR A 417 -2.043 -1.913 -8.395 1.00 0.00 C ATOM 710 OG1 THR A 417 -1.554 -3.228 -8.188 1.00 0.00 O ATOM 711 CG2 THR A 417 -1.367 -1.364 -9.634 1.00 0.00 C ATOM 0 H THR A 417 -2.710 -2.662 -6.144 1.00 0.00 H new ATOM 0 HA THR A 417 -0.753 -0.871 -7.034 1.00 0.00 H new ATOM 0 HB THR A 417 -3.121 -1.912 -8.557 1.00 0.00 H new ATOM 0 HG1 THR A 417 -2.255 -3.777 -7.778 1.00 0.00 H new ATOM 0 HG21 THR A 417 -1.565 -2.024 -10.479 1.00 0.00 H new ATOM 0 HG22 THR A 417 -1.757 -0.370 -9.851 1.00 0.00 H new ATOM 0 HG23 THR A 417 -0.292 -1.303 -9.465 1.00 0.00 H new ATOM 719 N LYS A 418 -3.852 0.271 -7.229 1.00 0.00 N ATOM 720 CA LYS A 418 -4.644 1.488 -7.364 1.00 0.00 C ATOM 721 C LYS A 418 -4.233 2.516 -6.313 1.00 0.00 C ATOM 722 O LYS A 418 -3.994 3.682 -6.629 1.00 0.00 O ATOM 723 CB LYS A 418 -6.135 1.170 -7.229 1.00 0.00 C ATOM 724 CG LYS A 418 -7.009 1.935 -8.209 1.00 0.00 C ATOM 725 CD LYS A 418 -8.465 1.508 -8.105 1.00 0.00 C ATOM 726 CE LYS A 418 -8.676 0.107 -8.658 1.00 0.00 C ATOM 727 NZ LYS A 418 -10.073 -0.366 -8.451 1.00 0.00 N ATOM 0 H LYS A 418 -4.400 -0.573 -7.065 1.00 0.00 H new ATOM 0 HA LYS A 418 -4.460 1.908 -8.353 1.00 0.00 H new ATOM 0 HB2 LYS A 418 -6.285 0.101 -7.378 1.00 0.00 H new ATOM 0 HB3 LYS A 418 -6.457 1.398 -6.213 1.00 0.00 H new ATOM 0 HG2 LYS A 418 -6.927 3.004 -8.014 1.00 0.00 H new ATOM 0 HG3 LYS A 418 -6.651 1.768 -9.225 1.00 0.00 H new ATOM 0 HD2 LYS A 418 -8.781 1.540 -7.062 1.00 0.00 H new ATOM 0 HD3 LYS A 418 -9.092 2.214 -8.650 1.00 0.00 H new ATOM 0 HE2 LYS A 418 -8.443 0.098 -9.723 1.00 0.00 H new ATOM 0 HE3 LYS A 418 -7.984 -0.582 -8.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 418 -10.176 -1.324 -8.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 418 -10.287 -0.382 -7.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 418 -10.732 0.277 -8.933 1.00 0.00 H new ATOM 741 N GLU A 419 -4.148 2.072 -5.062 1.00 0.00 N ATOM 742 CA GLU A 419 -3.761 2.951 -3.964 1.00 0.00 C ATOM 743 C GLU A 419 -2.400 3.582 -4.232 1.00 0.00 C ATOM 744 O GLU A 419 -2.182 4.760 -3.947 1.00 0.00 O ATOM 745 CB GLU A 419 -3.726 2.171 -2.648 1.00 0.00 C ATOM 746 CG GLU A 419 -4.096 3.010 -1.435 1.00 0.00 C ATOM 747 CD GLU A 419 -5.567 3.372 -1.402 1.00 0.00 C ATOM 748 OE1 GLU A 419 -6.223 3.289 -2.462 1.00 0.00 O ATOM 749 OE2 GLU A 419 -6.065 3.739 -0.316 1.00 0.00 O ATOM 0 H GLU A 419 -4.342 1.110 -4.784 1.00 0.00 H new ATOM 0 HA GLU A 419 -4.502 3.746 -3.886 1.00 0.00 H new ATOM 0 HB2 GLU A 419 -4.411 1.326 -2.718 1.00 0.00 H new ATOM 0 HB3 GLU A 419 -2.726 1.761 -2.505 1.00 0.00 H new ATOM 0 HG2 GLU A 419 -3.840 2.463 -0.528 1.00 0.00 H new ATOM 0 HG3 GLU A 419 -3.501 3.923 -1.435 1.00 0.00 H new ATOM 756 N LEU A 420 -1.484 2.790 -4.783 1.00 0.00 N ATOM 757 CA LEU A 420 -0.143 3.273 -5.094 1.00 0.00 C ATOM 758 C LEU A 420 -0.200 4.388 -6.132 1.00 0.00 C ATOM 759 O LEU A 420 0.348 5.472 -5.925 1.00 0.00 O ATOM 760 CB LEU A 420 0.729 2.126 -5.606 1.00 0.00 C ATOM 761 CG LEU A 420 2.207 2.214 -5.223 1.00 0.00 C ATOM 762 CD1 LEU A 420 2.861 0.844 -5.302 1.00 0.00 C ATOM 763 CD2 LEU A 420 2.931 3.205 -6.123 1.00 0.00 C ATOM 0 H LEU A 420 -1.646 1.812 -5.023 1.00 0.00 H new ATOM 0 HA LEU A 420 0.297 3.671 -4.180 1.00 0.00 H new ATOM 0 HB2 LEU A 420 0.327 1.187 -5.226 1.00 0.00 H new ATOM 0 HB3 LEU A 420 0.653 2.089 -6.693 1.00 0.00 H new ATOM 0 HG LEU A 420 2.277 2.568 -4.194 1.00 0.00 H new ATOM 0 HD11 LEU A 420 3.912 0.926 -5.026 1.00 0.00 H new ATOM 0 HD12 LEU A 420 2.358 0.161 -4.617 1.00 0.00 H new ATOM 0 HD13 LEU A 420 2.782 0.461 -6.319 1.00 0.00 H new ATOM 0 HD21 LEU A 420 3.982 3.256 -5.837 1.00 0.00 H new ATOM 0 HD22 LEU A 420 2.852 2.879 -7.160 1.00 0.00 H new ATOM 0 HD23 LEU A 420 2.478 4.191 -6.017 1.00 0.00 H new ATOM 775 N LEU A 421 -0.871 4.119 -7.247 1.00 0.00 N ATOM 776 CA LEU A 421 -1.001 5.103 -8.315 1.00 0.00 C ATOM 777 C LEU A 421 -1.688 6.365 -7.803 1.00 0.00 C ATOM 778 O LEU A 421 -1.407 7.470 -8.269 1.00 0.00 O ATOM 779 CB LEU A 421 -1.791 4.515 -9.487 1.00 0.00 C ATOM 780 CG LEU A 421 -0.941 3.865 -10.579 1.00 0.00 C ATOM 781 CD1 LEU A 421 -0.089 4.910 -11.285 1.00 0.00 C ATOM 782 CD2 LEU A 421 -0.064 2.769 -9.991 1.00 0.00 C ATOM 0 H LEU A 421 -1.333 3.229 -7.434 1.00 0.00 H new ATOM 0 HA LEU A 421 -0.001 5.367 -8.660 1.00 0.00 H new ATOM 0 HB2 LEU A 421 -2.488 3.772 -9.099 1.00 0.00 H new ATOM 0 HB3 LEU A 421 -2.389 5.308 -9.937 1.00 0.00 H new ATOM 0 HG LEU A 421 -1.609 3.414 -11.313 1.00 0.00 H new ATOM 0 HD11 LEU A 421 0.509 4.429 -12.059 1.00 0.00 H new ATOM 0 HD12 LEU A 421 -0.736 5.660 -11.740 1.00 0.00 H new ATOM 0 HD13 LEU A 421 0.571 5.390 -10.562 1.00 0.00 H new ATOM 0 HD21 LEU A 421 0.534 2.318 -10.783 1.00 0.00 H new ATOM 0 HD22 LEU A 421 0.596 3.197 -9.237 1.00 0.00 H new ATOM 0 HD23 LEU A 421 -0.693 2.007 -9.532 1.00 0.00 H new ATOM 794 N GLU A 422 -2.587 6.191 -6.840 1.00 0.00 N ATOM 795 CA GLU A 422 -3.316 7.316 -6.262 1.00 0.00 C ATOM 796 C GLU A 422 -2.381 8.222 -5.465 1.00 0.00 C ATOM 797 O GLU A 422 -2.311 9.425 -5.711 1.00 0.00 O ATOM 798 CB GLU A 422 -4.444 6.809 -5.362 1.00 0.00 C ATOM 799 CG GLU A 422 -5.698 7.666 -5.420 1.00 0.00 C ATOM 800 CD GLU A 422 -6.881 7.016 -4.728 1.00 0.00 C ATOM 801 OE1 GLU A 422 -7.132 5.820 -4.983 1.00 0.00 O ATOM 802 OE2 GLU A 422 -7.554 7.704 -3.931 1.00 0.00 O ATOM 0 H GLU A 422 -2.829 5.283 -6.443 1.00 0.00 H new ATOM 0 HA GLU A 422 -3.744 7.897 -7.079 1.00 0.00 H new ATOM 0 HB2 GLU A 422 -4.697 5.789 -5.650 1.00 0.00 H new ATOM 0 HB3 GLU A 422 -4.087 6.770 -4.333 1.00 0.00 H new ATOM 0 HG2 GLU A 422 -5.496 8.631 -4.956 1.00 0.00 H new ATOM 0 HG3 GLU A 422 -5.953 7.860 -6.462 1.00 0.00 H new ATOM 809 N LEU A 423 -1.666 7.636 -4.508 1.00 0.00 N ATOM 810 CA LEU A 423 -0.739 8.395 -3.675 1.00 0.00 C ATOM 811 C LEU A 423 0.412 8.959 -4.506 1.00 0.00 C ATOM 812 O LEU A 423 1.004 9.977 -4.151 1.00 0.00 O ATOM 813 CB LEU A 423 -0.196 7.515 -2.543 1.00 0.00 C ATOM 814 CG LEU A 423 0.937 6.560 -2.934 1.00 0.00 C ATOM 815 CD1 LEU A 423 2.287 7.151 -2.557 1.00 0.00 C ATOM 816 CD2 LEU A 423 0.745 5.203 -2.273 1.00 0.00 C ATOM 0 H LEU A 423 -1.711 6.640 -4.291 1.00 0.00 H new ATOM 0 HA LEU A 423 -1.285 9.232 -3.240 1.00 0.00 H new ATOM 0 HB2 LEU A 423 0.159 8.163 -1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 423 -1.019 6.927 -2.137 1.00 0.00 H new ATOM 0 HG LEU A 423 0.912 6.422 -4.015 1.00 0.00 H new ATOM 0 HD11 LEU A 423 3.080 6.459 -2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 423 2.428 8.098 -3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 423 2.323 7.320 -1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 423 1.559 4.539 -2.563 1.00 0.00 H new ATOM 0 HD22 LEU A 423 0.743 5.323 -1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 423 -0.205 4.774 -2.593 1.00 0.00 H new ATOM 828 N ASP A 424 0.725 8.288 -5.611 1.00 0.00 N ATOM 829 CA ASP A 424 1.806 8.721 -6.490 1.00 0.00 C ATOM 830 C ASP A 424 1.604 10.166 -6.948 1.00 0.00 C ATOM 831 O ASP A 424 2.558 10.840 -7.337 1.00 0.00 O ATOM 832 CB ASP A 424 1.901 7.799 -7.707 1.00 0.00 C ATOM 833 CG ASP A 424 3.202 7.974 -8.465 1.00 0.00 C ATOM 834 OD1 ASP A 424 4.171 8.490 -7.869 1.00 0.00 O ATOM 835 OD2 ASP A 424 3.253 7.594 -9.653 1.00 0.00 O ATOM 0 H ASP A 424 0.245 7.442 -5.919 1.00 0.00 H new ATOM 0 HA ASP A 424 2.737 8.669 -5.925 1.00 0.00 H new ATOM 0 HB2 ASP A 424 1.810 6.763 -7.382 1.00 0.00 H new ATOM 0 HB3 ASP A 424 1.064 7.998 -8.376 1.00 0.00 H new ATOM 840 N SER A 425 0.360 10.634 -6.904 1.00 0.00 N ATOM 841 CA SER A 425 0.042 11.997 -7.318 1.00 0.00 C ATOM 842 C SER A 425 0.022 12.948 -6.125 1.00 0.00 C ATOM 843 O SER A 425 -0.808 13.854 -6.054 1.00 0.00 O ATOM 844 CB SER A 425 -1.310 12.030 -8.033 1.00 0.00 C ATOM 845 OG SER A 425 -1.524 10.844 -8.776 1.00 0.00 O ATOM 0 H SER A 425 -0.443 10.091 -6.587 1.00 0.00 H new ATOM 0 HA SER A 425 0.821 12.329 -8.004 1.00 0.00 H new ATOM 0 HB2 SER A 425 -2.109 12.153 -7.301 1.00 0.00 H new ATOM 0 HB3 SER A 425 -1.352 12.892 -8.699 1.00 0.00 H new ATOM 0 HG SER A 425 -2.396 10.890 -9.222 1.00 0.00 H new ATOM 851 N VAL A 426 0.945 12.741 -5.190 1.00 0.00 N ATOM 852 CA VAL A 426 1.032 13.584 -4.003 1.00 0.00 C ATOM 853 C VAL A 426 2.012 14.734 -4.223 1.00 0.00 C ATOM 854 O VAL A 426 3.044 14.567 -4.873 1.00 0.00 O ATOM 855 CB VAL A 426 1.471 12.770 -2.769 1.00 0.00 C ATOM 856 CG1 VAL A 426 2.862 12.191 -2.971 1.00 0.00 C ATOM 857 CG2 VAL A 426 1.419 13.628 -1.513 1.00 0.00 C ATOM 0 H VAL A 426 1.642 11.998 -5.232 1.00 0.00 H new ATOM 0 HA VAL A 426 0.036 13.989 -3.822 1.00 0.00 H new ATOM 0 HB VAL A 426 0.775 11.940 -2.643 1.00 0.00 H new ATOM 0 HG11 VAL A 426 3.151 11.621 -2.088 1.00 0.00 H new ATOM 0 HG12 VAL A 426 2.860 11.535 -3.842 1.00 0.00 H new ATOM 0 HG13 VAL A 426 3.574 13.001 -3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 426 1.732 13.035 -0.654 1.00 0.00 H new ATOM 0 HG22 VAL A 426 2.087 14.482 -1.628 1.00 0.00 H new ATOM 0 HG23 VAL A 426 0.400 13.983 -1.357 1.00 0.00 H new ATOM 867 N GLU A 427 1.684 15.903 -3.678 1.00 0.00 N ATOM 868 CA GLU A 427 2.539 17.076 -3.821 1.00 0.00 C ATOM 869 C GLU A 427 3.388 17.290 -2.572 1.00 0.00 C ATOM 870 O GLU A 427 3.193 18.255 -1.833 1.00 0.00 O ATOM 871 CB GLU A 427 1.690 18.319 -4.098 1.00 0.00 C ATOM 872 CG GLU A 427 1.105 18.356 -5.500 1.00 0.00 C ATOM 873 CD GLU A 427 -0.212 17.612 -5.602 1.00 0.00 C ATOM 874 OE1 GLU A 427 -1.266 18.233 -5.355 1.00 0.00 O ATOM 875 OE2 GLU A 427 -0.189 16.406 -5.928 1.00 0.00 O ATOM 0 H GLU A 427 0.835 16.062 -3.135 1.00 0.00 H new ATOM 0 HA GLU A 427 3.209 16.906 -4.664 1.00 0.00 H new ATOM 0 HB2 GLU A 427 0.877 18.363 -3.373 1.00 0.00 H new ATOM 0 HB3 GLU A 427 2.302 19.208 -3.945 1.00 0.00 H new ATOM 0 HG2 GLU A 427 0.956 19.393 -5.800 1.00 0.00 H new ATOM 0 HG3 GLU A 427 1.819 17.921 -6.199 1.00 0.00 H new ATOM 882 N THR A 428 4.331 16.382 -2.342 1.00 0.00 N ATOM 883 CA THR A 428 5.211 16.470 -1.181 1.00 0.00 C ATOM 884 C THR A 428 6.051 17.743 -1.226 1.00 0.00 C ATOM 885 O THR A 428 6.118 18.487 -0.247 1.00 0.00 O ATOM 886 CB THR A 428 6.123 15.244 -1.108 1.00 0.00 C ATOM 887 OG1 THR A 428 7.011 15.344 -0.008 1.00 0.00 O ATOM 888 CG2 THR A 428 6.958 15.040 -2.354 1.00 0.00 C ATOM 0 H THR A 428 4.506 15.577 -2.944 1.00 0.00 H new ATOM 0 HA THR A 428 4.586 16.502 -0.288 1.00 0.00 H new ATOM 0 HB THR A 428 5.451 14.393 -0.999 1.00 0.00 H new ATOM 0 HG1 THR A 428 7.585 14.550 0.023 1.00 0.00 H new ATOM 0 HG21 THR A 428 7.581 14.154 -2.234 1.00 0.00 H new ATOM 0 HG22 THR A 428 6.302 14.908 -3.214 1.00 0.00 H new ATOM 0 HG23 THR A 428 7.594 15.911 -2.513 1.00 0.00 H new ATOM 896 N GLY A 429 6.689 17.989 -2.365 1.00 0.00 N ATOM 897 CA GLY A 429 7.514 19.173 -2.510 1.00 0.00 C ATOM 898 C GLY A 429 8.777 19.106 -1.674 1.00 0.00 C ATOM 899 O GLY A 429 9.884 19.055 -2.212 1.00 0.00 O ATOM 0 H GLY A 429 6.649 17.390 -3.190 1.00 0.00 H new ATOM 0 HA2 GLY A 429 7.783 19.299 -3.559 1.00 0.00 H new ATOM 0 HA3 GLY A 429 6.937 20.052 -2.221 1.00 0.00 H new ATOM 903 N GLY A 430 8.612 19.106 -0.355 1.00 0.00 N ATOM 904 CA GLY A 430 9.754 19.042 0.537 1.00 0.00 C ATOM 905 C GLY A 430 9.351 19.106 1.998 1.00 0.00 C ATOM 906 O GLY A 430 9.863 19.931 2.753 1.00 0.00 O ATOM 0 H GLY A 430 7.706 19.149 0.112 1.00 0.00 H new ATOM 0 HA2 GLY A 430 10.303 18.118 0.354 1.00 0.00 H new ATOM 0 HA3 GLY A 430 10.433 19.865 0.314 1.00 0.00 H new ATOM 910 N GLN A 431 8.430 18.235 2.394 1.00 0.00 N ATOM 911 CA GLN A 431 7.957 18.196 3.772 1.00 0.00 C ATOM 912 C GLN A 431 8.502 16.973 4.504 1.00 0.00 C ATOM 913 O GLN A 431 8.474 15.859 3.979 1.00 0.00 O ATOM 914 CB GLN A 431 6.427 18.184 3.808 1.00 0.00 C ATOM 915 CG GLN A 431 5.851 18.188 5.214 1.00 0.00 C ATOM 916 CD GLN A 431 6.062 19.510 5.926 1.00 0.00 C ATOM 917 OE1 GLN A 431 6.596 19.553 7.034 1.00 0.00 O ATOM 918 NE2 GLN A 431 5.644 20.599 5.291 1.00 0.00 N ATOM 0 H GLN A 431 7.996 17.546 1.780 1.00 0.00 H new ATOM 0 HA GLN A 431 8.321 19.091 4.278 1.00 0.00 H new ATOM 0 HB2 GLN A 431 6.053 19.054 3.269 1.00 0.00 H new ATOM 0 HB3 GLN A 431 6.066 17.302 3.279 1.00 0.00 H new ATOM 0 HG2 GLN A 431 4.784 17.971 5.166 1.00 0.00 H new ATOM 0 HG3 GLN A 431 6.313 17.389 5.794 1.00 0.00 H new ATOM 0 HE21 GLN A 431 5.206 20.518 4.373 1.00 0.00 H new ATOM 0 HE22 GLN A 431 5.761 21.517 5.721 1.00 0.00 H new ATOM 927 N ASP A 432 8.998 17.188 5.717 1.00 0.00 N ATOM 928 CA ASP A 432 9.550 16.104 6.522 1.00 0.00 C ATOM 929 C ASP A 432 8.481 15.063 6.841 1.00 0.00 C ATOM 930 O ASP A 432 8.711 13.861 6.709 1.00 0.00 O ATOM 931 CB ASP A 432 10.143 16.655 7.820 1.00 0.00 C ATOM 932 CG ASP A 432 11.369 15.884 8.268 1.00 0.00 C ATOM 933 OD1 ASP A 432 11.235 14.680 8.570 1.00 0.00 O ATOM 934 OD2 ASP A 432 12.463 16.484 8.317 1.00 0.00 O ATOM 0 H ASP A 432 9.029 18.104 6.165 1.00 0.00 H new ATOM 0 HA ASP A 432 10.340 15.623 5.944 1.00 0.00 H new ATOM 0 HB2 ASP A 432 10.408 17.703 7.679 1.00 0.00 H new ATOM 0 HB3 ASP A 432 9.388 16.620 8.605 1.00 0.00 H new ATOM 939 N SER A 433 7.310 15.534 7.262 1.00 0.00 N ATOM 940 CA SER A 433 6.205 14.643 7.599 1.00 0.00 C ATOM 941 C SER A 433 5.827 13.767 6.408 1.00 0.00 C ATOM 942 O SER A 433 5.774 12.542 6.519 1.00 0.00 O ATOM 943 CB SER A 433 4.991 15.453 8.058 1.00 0.00 C ATOM 944 OG SER A 433 5.383 16.716 8.566 1.00 0.00 O ATOM 0 H SER A 433 7.103 16.526 7.378 1.00 0.00 H new ATOM 0 HA SER A 433 6.530 13.995 8.413 1.00 0.00 H new ATOM 0 HB2 SER A 433 4.305 15.591 7.222 1.00 0.00 H new ATOM 0 HB3 SER A 433 4.451 14.900 8.826 1.00 0.00 H new ATOM 0 HG SER A 433 4.589 17.215 8.851 1.00 0.00 H new ATOM 950 N VAL A 434 5.568 14.402 5.269 1.00 0.00 N ATOM 951 CA VAL A 434 5.198 13.678 4.061 1.00 0.00 C ATOM 952 C VAL A 434 6.288 12.689 3.663 1.00 0.00 C ATOM 953 O VAL A 434 5.999 11.569 3.241 1.00 0.00 O ATOM 954 CB VAL A 434 4.932 14.637 2.884 1.00 0.00 C ATOM 955 CG1 VAL A 434 4.403 13.874 1.680 1.00 0.00 C ATOM 956 CG2 VAL A 434 3.962 15.734 3.298 1.00 0.00 C ATOM 0 H VAL A 434 5.608 15.415 5.159 1.00 0.00 H new ATOM 0 HA VAL A 434 4.280 13.135 4.286 1.00 0.00 H new ATOM 0 HB VAL A 434 5.875 15.105 2.601 1.00 0.00 H new ATOM 0 HG11 VAL A 434 4.222 14.569 0.860 1.00 0.00 H new ATOM 0 HG12 VAL A 434 5.137 13.130 1.370 1.00 0.00 H new ATOM 0 HG13 VAL A 434 3.471 13.375 1.946 1.00 0.00 H new ATOM 0 HG21 VAL A 434 3.786 16.402 2.454 1.00 0.00 H new ATOM 0 HG22 VAL A 434 3.018 15.287 3.610 1.00 0.00 H new ATOM 0 HG23 VAL A 434 4.386 16.301 4.127 1.00 0.00 H new ATOM 966 N ARG A 435 7.543 13.108 3.807 1.00 0.00 N ATOM 967 CA ARG A 435 8.673 12.253 3.468 1.00 0.00 C ATOM 968 C ARG A 435 8.650 10.978 4.303 1.00 0.00 C ATOM 969 O ARG A 435 8.798 9.874 3.776 1.00 0.00 O ATOM 970 CB ARG A 435 9.991 13.002 3.681 1.00 0.00 C ATOM 971 CG ARG A 435 10.900 12.987 2.462 1.00 0.00 C ATOM 972 CD ARG A 435 12.352 13.220 2.847 1.00 0.00 C ATOM 973 NE ARG A 435 13.255 13.035 1.713 1.00 0.00 N ATOM 974 CZ ARG A 435 13.520 11.853 1.162 1.00 0.00 C ATOM 975 NH1 ARG A 435 12.956 10.748 1.638 1.00 0.00 N ATOM 976 NH2 ARG A 435 14.352 11.773 0.132 1.00 0.00 N ATOM 0 H ARG A 435 7.801 14.032 4.155 1.00 0.00 H new ATOM 0 HA ARG A 435 8.593 11.979 2.416 1.00 0.00 H new ATOM 0 HB2 ARG A 435 9.773 14.036 3.949 1.00 0.00 H new ATOM 0 HB3 ARG A 435 10.520 12.558 4.524 1.00 0.00 H new ATOM 0 HG2 ARG A 435 10.808 12.029 1.950 1.00 0.00 H new ATOM 0 HG3 ARG A 435 10.581 13.757 1.759 1.00 0.00 H new ATOM 0 HD2 ARG A 435 12.465 14.230 3.240 1.00 0.00 H new ATOM 0 HD3 ARG A 435 12.630 12.534 3.647 1.00 0.00 H new ATOM 0 HE ARG A 435 13.709 13.860 1.321 1.00 0.00 H new ATOM 0 HH11 ARG A 435 12.316 10.803 2.430 1.00 0.00 H new ATOM 0 HH12 ARG A 435 13.163 9.845 1.211 1.00 0.00 H new ATOM 0 HH21 ARG A 435 14.789 12.617 -0.238 1.00 0.00 H new ATOM 0 HH22 ARG A 435 14.555 10.867 -0.290 1.00 0.00 H new ATOM 990 N GLN A 436 8.456 11.135 5.608 1.00 0.00 N ATOM 991 CA GLN A 436 8.402 9.995 6.516 1.00 0.00 C ATOM 992 C GLN A 436 7.268 9.057 6.126 1.00 0.00 C ATOM 993 O GLN A 436 7.483 7.870 5.879 1.00 0.00 O ATOM 994 CB GLN A 436 8.217 10.471 7.958 1.00 0.00 C ATOM 995 CG GLN A 436 8.945 9.612 8.980 1.00 0.00 C ATOM 996 CD GLN A 436 9.240 10.360 10.265 1.00 0.00 C ATOM 997 OE1 GLN A 436 8.457 11.205 10.699 1.00 0.00 O ATOM 998 NE2 GLN A 436 10.374 10.052 10.883 1.00 0.00 N ATOM 0 H GLN A 436 8.334 12.041 6.061 1.00 0.00 H new ATOM 0 HA GLN A 436 9.345 9.453 6.443 1.00 0.00 H new ATOM 0 HB2 GLN A 436 8.571 11.499 8.041 1.00 0.00 H new ATOM 0 HB3 GLN A 436 7.153 10.480 8.195 1.00 0.00 H new ATOM 0 HG2 GLN A 436 8.342 8.733 9.206 1.00 0.00 H new ATOM 0 HG3 GLN A 436 9.880 9.255 8.549 1.00 0.00 H new ATOM 0 HE21 GLN A 436 10.994 9.345 10.488 1.00 0.00 H new ATOM 0 HE22 GLN A 436 10.625 10.522 11.753 1.00 0.00 H new ATOM 1007 N ALA A 437 6.055 9.600 6.063 1.00 0.00 N ATOM 1008 CA ALA A 437 4.886 8.815 5.691 1.00 0.00 C ATOM 1009 C ALA A 437 5.063 8.215 4.301 1.00 0.00 C ATOM 1010 O ALA A 437 4.564 7.127 4.015 1.00 0.00 O ATOM 1011 CB ALA A 437 3.632 9.675 5.745 1.00 0.00 C ATOM 0 H ALA A 437 5.858 10.580 6.265 1.00 0.00 H new ATOM 0 HA ALA A 437 4.777 7.998 6.405 1.00 0.00 H new ATOM 0 HB1 ALA A 437 2.767 9.075 5.464 1.00 0.00 H new ATOM 0 HB2 ALA A 437 3.496 10.057 6.757 1.00 0.00 H new ATOM 0 HB3 ALA A 437 3.734 10.511 5.052 1.00 0.00 H new ATOM 1017 N ARG A 438 5.784 8.931 3.443 1.00 0.00 N ATOM 1018 CA ARG A 438 6.038 8.469 2.086 1.00 0.00 C ATOM 1019 C ARG A 438 6.825 7.165 2.104 1.00 0.00 C ATOM 1020 O ARG A 438 6.372 6.147 1.583 1.00 0.00 O ATOM 1021 CB ARG A 438 6.803 9.535 1.295 1.00 0.00 C ATOM 1022 CG ARG A 438 7.134 9.117 -0.129 1.00 0.00 C ATOM 1023 CD ARG A 438 5.920 9.222 -1.037 1.00 0.00 C ATOM 1024 NE ARG A 438 6.103 8.481 -2.284 1.00 0.00 N ATOM 1025 CZ ARG A 438 5.384 8.692 -3.384 1.00 0.00 C ATOM 1026 NH1 ARG A 438 4.432 9.616 -3.397 1.00 0.00 N ATOM 1027 NH2 ARG A 438 5.619 7.975 -4.475 1.00 0.00 N ATOM 0 H ARG A 438 6.202 9.834 3.666 1.00 0.00 H new ATOM 0 HA ARG A 438 5.079 8.290 1.599 1.00 0.00 H new ATOM 0 HB2 ARG A 438 6.211 10.450 1.268 1.00 0.00 H new ATOM 0 HB3 ARG A 438 7.729 9.770 1.820 1.00 0.00 H new ATOM 0 HG2 ARG A 438 7.935 9.746 -0.517 1.00 0.00 H new ATOM 0 HG3 ARG A 438 7.504 8.092 -0.132 1.00 0.00 H new ATOM 0 HD2 ARG A 438 5.042 8.841 -0.514 1.00 0.00 H new ATOM 0 HD3 ARG A 438 5.726 10.270 -1.263 1.00 0.00 H new ATOM 0 HE ARG A 438 6.824 7.760 -2.313 1.00 0.00 H new ATOM 0 HH11 ARG A 438 4.247 10.170 -2.561 1.00 0.00 H new ATOM 0 HH12 ARG A 438 3.885 9.773 -4.243 1.00 0.00 H new ATOM 0 HH21 ARG A 438 6.350 7.263 -4.470 1.00 0.00 H new ATOM 0 HH22 ARG A 438 5.069 8.135 -5.319 1.00 0.00 H new ATOM 1041 N LYS A 439 8.006 7.201 2.716 1.00 0.00 N ATOM 1042 CA LYS A 439 8.852 6.018 2.809 1.00 0.00 C ATOM 1043 C LYS A 439 8.110 4.881 3.501 1.00 0.00 C ATOM 1044 O LYS A 439 8.202 3.724 3.090 1.00 0.00 O ATOM 1045 CB LYS A 439 10.140 6.343 3.569 1.00 0.00 C ATOM 1046 CG LYS A 439 9.902 7.005 4.917 1.00 0.00 C ATOM 1047 CD LYS A 439 11.203 7.203 5.679 1.00 0.00 C ATOM 1048 CE LYS A 439 11.713 8.629 5.551 1.00 0.00 C ATOM 1049 NZ LYS A 439 13.193 8.679 5.409 1.00 0.00 N ATOM 0 H LYS A 439 8.397 8.035 3.154 1.00 0.00 H new ATOM 0 HA LYS A 439 9.109 5.701 1.798 1.00 0.00 H new ATOM 0 HB2 LYS A 439 10.704 5.423 3.720 1.00 0.00 H new ATOM 0 HB3 LYS A 439 10.758 6.999 2.956 1.00 0.00 H new ATOM 0 HG2 LYS A 439 9.416 7.969 4.769 1.00 0.00 H new ATOM 0 HG3 LYS A 439 9.222 6.393 5.509 1.00 0.00 H new ATOM 0 HD2 LYS A 439 11.049 6.964 6.731 1.00 0.00 H new ATOM 0 HD3 LYS A 439 11.956 6.511 5.301 1.00 0.00 H new ATOM 0 HE2 LYS A 439 11.249 9.104 4.686 1.00 0.00 H new ATOM 0 HE3 LYS A 439 11.413 9.202 6.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 439 13.500 9.669 5.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 439 13.637 8.249 6.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 439 13.478 8.154 4.558 1.00 0.00 H new ATOM 1063 N GLU A 440 7.369 5.220 4.551 1.00 0.00 N ATOM 1064 CA GLU A 440 6.603 4.229 5.298 1.00 0.00 C ATOM 1065 C GLU A 440 5.559 3.570 4.401 1.00 0.00 C ATOM 1066 O GLU A 440 5.513 2.345 4.279 1.00 0.00 O ATOM 1067 CB GLU A 440 5.921 4.884 6.503 1.00 0.00 C ATOM 1068 CG GLU A 440 5.067 3.926 7.315 1.00 0.00 C ATOM 1069 CD GLU A 440 5.895 2.991 8.174 1.00 0.00 C ATOM 1070 OE1 GLU A 440 6.601 2.132 7.604 1.00 0.00 O ATOM 1071 OE2 GLU A 440 5.839 3.117 9.415 1.00 0.00 O ATOM 0 H GLU A 440 7.283 6.173 4.904 1.00 0.00 H new ATOM 0 HA GLU A 440 7.290 3.461 5.654 1.00 0.00 H new ATOM 0 HB2 GLU A 440 6.684 5.316 7.151 1.00 0.00 H new ATOM 0 HB3 GLU A 440 5.297 5.707 6.154 1.00 0.00 H new ATOM 0 HG2 GLU A 440 4.393 4.498 7.953 1.00 0.00 H new ATOM 0 HG3 GLU A 440 4.445 3.338 6.640 1.00 0.00 H new ATOM 1078 N ALA A 441 4.729 4.393 3.768 1.00 0.00 N ATOM 1079 CA ALA A 441 3.689 3.892 2.876 1.00 0.00 C ATOM 1080 C ALA A 441 4.292 3.044 1.761 1.00 0.00 C ATOM 1081 O ALA A 441 3.833 1.934 1.493 1.00 0.00 O ATOM 1082 CB ALA A 441 2.891 5.050 2.295 1.00 0.00 C ATOM 0 H ALA A 441 4.756 5.409 3.856 1.00 0.00 H new ATOM 0 HA ALA A 441 3.016 3.259 3.454 1.00 0.00 H new ATOM 0 HB1 ALA A 441 2.118 4.662 1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 441 2.426 5.613 3.104 1.00 0.00 H new ATOM 0 HB3 ALA A 441 3.557 5.705 1.733 1.00 0.00 H new ATOM 1088 N VAL A 442 5.330 3.573 1.118 1.00 0.00 N ATOM 1089 CA VAL A 442 6.002 2.861 0.038 1.00 0.00 C ATOM 1090 C VAL A 442 6.564 1.536 0.539 1.00 0.00 C ATOM 1091 O VAL A 442 6.584 0.540 -0.187 1.00 0.00 O ATOM 1092 CB VAL A 442 7.143 3.696 -0.572 1.00 0.00 C ATOM 1093 CG1 VAL A 442 7.712 3.005 -1.801 1.00 0.00 C ATOM 1094 CG2 VAL A 442 6.658 5.097 -0.917 1.00 0.00 C ATOM 0 H VAL A 442 5.722 4.491 1.327 1.00 0.00 H new ATOM 0 HA VAL A 442 5.257 2.676 -0.736 1.00 0.00 H new ATOM 0 HB VAL A 442 7.938 3.785 0.169 1.00 0.00 H new ATOM 0 HG11 VAL A 442 8.517 3.610 -2.218 1.00 0.00 H new ATOM 0 HG12 VAL A 442 8.101 2.026 -1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 442 6.926 2.883 -2.546 1.00 0.00 H new ATOM 0 HG21 VAL A 442 7.479 5.671 -1.347 1.00 0.00 H new ATOM 0 HG22 VAL A 442 5.844 5.033 -1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 442 6.303 5.592 -0.013 1.00 0.00 H new ATOM 1104 N CYS A 443 7.009 1.528 1.791 1.00 0.00 N ATOM 1105 CA CYS A 443 7.558 0.321 2.394 1.00 0.00 C ATOM 1106 C CYS A 443 6.471 -0.737 2.535 1.00 0.00 C ATOM 1107 O CYS A 443 6.681 -1.905 2.214 1.00 0.00 O ATOM 1108 CB CYS A 443 8.166 0.637 3.763 1.00 0.00 C ATOM 1109 SG CYS A 443 9.869 1.238 3.695 1.00 0.00 S ATOM 0 H CYS A 443 7.000 2.342 2.406 1.00 0.00 H new ATOM 0 HA CYS A 443 8.344 -0.065 1.745 1.00 0.00 H new ATOM 0 HB2 CYS A 443 7.548 1.385 4.259 1.00 0.00 H new ATOM 0 HB3 CYS A 443 8.134 -0.262 4.379 1.00 0.00 H new ATOM 0 HG CYS A 443 9.870 2.512 3.436 1.00 0.00 H new ATOM 1115 N LYS A 444 5.305 -0.311 3.011 1.00 0.00 N ATOM 1116 CA LYS A 444 4.172 -1.210 3.191 1.00 0.00 C ATOM 1117 C LYS A 444 3.748 -1.818 1.858 1.00 0.00 C ATOM 1118 O LYS A 444 3.777 -3.038 1.688 1.00 0.00 O ATOM 1119 CB LYS A 444 2.995 -0.463 3.822 1.00 0.00 C ATOM 1120 CG LYS A 444 2.987 -0.511 5.341 1.00 0.00 C ATOM 1121 CD LYS A 444 4.172 0.236 5.929 1.00 0.00 C ATOM 1122 CE LYS A 444 4.353 -0.080 7.405 1.00 0.00 C ATOM 1123 NZ LYS A 444 5.338 -1.176 7.622 1.00 0.00 N ATOM 0 H LYS A 444 5.121 0.656 3.280 1.00 0.00 H new ATOM 0 HA LYS A 444 4.480 -2.015 3.858 1.00 0.00 H new ATOM 0 HB2 LYS A 444 3.022 0.578 3.500 1.00 0.00 H new ATOM 0 HB3 LYS A 444 2.063 -0.888 3.449 1.00 0.00 H new ATOM 0 HG2 LYS A 444 2.060 -0.076 5.715 1.00 0.00 H new ATOM 0 HG3 LYS A 444 3.009 -1.549 5.673 1.00 0.00 H new ATOM 0 HD2 LYS A 444 5.078 -0.031 5.385 1.00 0.00 H new ATOM 0 HD3 LYS A 444 4.027 1.309 5.801 1.00 0.00 H new ATOM 0 HE2 LYS A 444 4.685 0.816 7.930 1.00 0.00 H new ATOM 0 HE3 LYS A 444 3.393 -0.364 7.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 444 5.433 -1.361 8.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 444 5.009 -2.038 7.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 444 6.261 -0.895 7.234 1.00 0.00 H new ATOM 1137 N ILE A 445 3.363 -0.966 0.910 1.00 0.00 N ATOM 1138 CA ILE A 445 2.942 -1.436 -0.408 1.00 0.00 C ATOM 1139 C ILE A 445 3.982 -2.383 -0.998 1.00 0.00 C ATOM 1140 O ILE A 445 3.651 -3.478 -1.453 1.00 0.00 O ATOM 1141 CB ILE A 445 2.699 -0.269 -1.387 1.00 0.00 C ATOM 1142 CG1 ILE A 445 3.870 0.715 -1.358 1.00 0.00 C ATOM 1143 CG2 ILE A 445 1.396 0.438 -1.050 1.00 0.00 C ATOM 1144 CD1 ILE A 445 4.831 0.543 -2.514 1.00 0.00 C ATOM 0 H ILE A 445 3.334 0.047 1.028 1.00 0.00 H new ATOM 0 HA ILE A 445 2.000 -1.966 -0.269 1.00 0.00 H new ATOM 0 HB ILE A 445 2.623 -0.674 -2.396 1.00 0.00 H new ATOM 0 HG12 ILE A 445 3.480 1.733 -1.369 1.00 0.00 H new ATOM 0 HG13 ILE A 445 4.414 0.592 -0.422 1.00 0.00 H new ATOM 0 HG21 ILE A 445 1.237 1.259 -1.748 1.00 0.00 H new ATOM 0 HG22 ILE A 445 0.569 -0.268 -1.125 1.00 0.00 H new ATOM 0 HG23 ILE A 445 1.447 0.830 -0.034 1.00 0.00 H new ATOM 0 HD11 ILE A 445 5.636 1.273 -2.430 1.00 0.00 H new ATOM 0 HD12 ILE A 445 5.250 -0.463 -2.492 1.00 0.00 H new ATOM 0 HD13 ILE A 445 4.300 0.695 -3.454 1.00 0.00 H new ATOM 1156 N GLN A 446 5.243 -1.962 -0.967 1.00 0.00 N ATOM 1157 CA GLN A 446 6.329 -2.785 -1.478 1.00 0.00 C ATOM 1158 C GLN A 446 6.513 -4.018 -0.598 1.00 0.00 C ATOM 1159 O GLN A 446 6.998 -5.055 -1.052 1.00 0.00 O ATOM 1160 CB GLN A 446 7.629 -1.979 -1.533 1.00 0.00 C ATOM 1161 CG GLN A 446 8.581 -2.434 -2.627 1.00 0.00 C ATOM 1162 CD GLN A 446 9.545 -1.343 -3.050 1.00 0.00 C ATOM 1163 OE1 GLN A 446 10.133 -0.658 -2.213 1.00 0.00 O ATOM 1164 NE2 GLN A 446 9.714 -1.176 -4.357 1.00 0.00 N ATOM 0 H GLN A 446 5.535 -1.059 -0.594 1.00 0.00 H new ATOM 0 HA GLN A 446 6.076 -3.107 -2.488 1.00 0.00 H new ATOM 0 HB2 GLN A 446 7.388 -0.927 -1.687 1.00 0.00 H new ATOM 0 HB3 GLN A 446 8.134 -2.053 -0.570 1.00 0.00 H new ATOM 0 HG2 GLN A 446 9.146 -3.297 -2.276 1.00 0.00 H new ATOM 0 HG3 GLN A 446 8.005 -2.761 -3.493 1.00 0.00 H new ATOM 0 HE21 GLN A 446 9.207 -1.766 -5.016 1.00 0.00 H new ATOM 0 HE22 GLN A 446 10.351 -0.458 -4.701 1.00 0.00 H new ATOM 1173 N ALA A 447 6.102 -3.897 0.664 1.00 0.00 N ATOM 1174 CA ALA A 447 6.200 -4.996 1.610 1.00 0.00 C ATOM 1175 C ALA A 447 5.160 -6.053 1.282 1.00 0.00 C ATOM 1176 O ALA A 447 5.412 -7.253 1.397 1.00 0.00 O ATOM 1177 CB ALA A 447 6.018 -4.486 3.035 1.00 0.00 C ATOM 0 H ALA A 447 5.698 -3.044 1.051 1.00 0.00 H new ATOM 0 HA ALA A 447 7.190 -5.445 1.533 1.00 0.00 H new ATOM 0 HB1 ALA A 447 6.094 -5.320 3.732 1.00 0.00 H new ATOM 0 HB2 ALA A 447 6.792 -3.753 3.261 1.00 0.00 H new ATOM 0 HB3 ALA A 447 5.037 -4.020 3.132 1.00 0.00 H new ATOM 1183 N ILE A 448 3.995 -5.589 0.849 1.00 0.00 N ATOM 1184 CA ILE A 448 2.908 -6.477 0.472 1.00 0.00 C ATOM 1185 C ILE A 448 3.252 -7.201 -0.826 1.00 0.00 C ATOM 1186 O ILE A 448 3.085 -8.416 -0.936 1.00 0.00 O ATOM 1187 CB ILE A 448 1.589 -5.692 0.294 1.00 0.00 C ATOM 1188 CG1 ILE A 448 0.984 -5.343 1.656 1.00 0.00 C ATOM 1189 CG2 ILE A 448 0.593 -6.483 -0.541 1.00 0.00 C ATOM 1190 CD1 ILE A 448 1.225 -3.910 2.077 1.00 0.00 C ATOM 0 H ILE A 448 3.780 -4.597 0.751 1.00 0.00 H new ATOM 0 HA ILE A 448 2.773 -7.206 1.271 1.00 0.00 H new ATOM 0 HB ILE A 448 1.816 -4.766 -0.234 1.00 0.00 H new ATOM 0 HG12 ILE A 448 -0.090 -5.528 1.625 1.00 0.00 H new ATOM 0 HG13 ILE A 448 1.401 -6.010 2.411 1.00 0.00 H new ATOM 0 HG21 ILE A 448 -0.327 -5.908 -0.651 1.00 0.00 H new ATOM 0 HG22 ILE A 448 1.018 -6.680 -1.525 1.00 0.00 H new ATOM 0 HG23 ILE A 448 0.373 -7.429 -0.046 1.00 0.00 H new ATOM 0 HD11 ILE A 448 0.768 -3.735 3.051 1.00 0.00 H new ATOM 0 HD12 ILE A 448 2.297 -3.725 2.141 1.00 0.00 H new ATOM 0 HD13 ILE A 448 0.783 -3.236 1.343 1.00 0.00 H new ATOM 1202 N LEU A 449 3.740 -6.443 -1.804 1.00 0.00 N ATOM 1203 CA LEU A 449 4.115 -7.007 -3.094 1.00 0.00 C ATOM 1204 C LEU A 449 5.199 -8.065 -2.922 1.00 0.00 C ATOM 1205 O LEU A 449 5.077 -9.180 -3.426 1.00 0.00 O ATOM 1206 CB LEU A 449 4.604 -5.905 -4.036 1.00 0.00 C ATOM 1207 CG LEU A 449 3.508 -5.224 -4.858 1.00 0.00 C ATOM 1208 CD1 LEU A 449 2.851 -4.112 -4.055 1.00 0.00 C ATOM 1209 CD2 LEU A 449 4.082 -4.680 -6.159 1.00 0.00 C ATOM 0 H LEU A 449 3.884 -5.436 -1.726 1.00 0.00 H new ATOM 0 HA LEU A 449 3.234 -7.478 -3.530 1.00 0.00 H new ATOM 0 HB2 LEU A 449 5.120 -5.147 -3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 449 5.338 -6.331 -4.720 1.00 0.00 H new ATOM 0 HG LEU A 449 2.746 -5.965 -5.101 1.00 0.00 H new ATOM 0 HD11 LEU A 449 2.074 -3.639 -4.656 1.00 0.00 H new ATOM 0 HD12 LEU A 449 2.407 -4.529 -3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 449 3.600 -3.369 -3.781 1.00 0.00 H new ATOM 0 HD21 LEU A 449 3.290 -4.198 -6.733 1.00 0.00 H new ATOM 0 HD22 LEU A 449 4.863 -3.952 -5.936 1.00 0.00 H new ATOM 0 HD23 LEU A 449 4.505 -5.499 -6.741 1.00 0.00 H new ATOM 1221 N GLU A 450 6.259 -7.708 -2.202 1.00 0.00 N ATOM 1222 CA GLU A 450 7.361 -8.631 -1.960 1.00 0.00 C ATOM 1223 C GLU A 450 6.872 -9.870 -1.218 1.00 0.00 C ATOM 1224 O GLU A 450 7.118 -11.001 -1.642 1.00 0.00 O ATOM 1225 CB GLU A 450 8.464 -7.943 -1.154 1.00 0.00 C ATOM 1226 CG GLU A 450 9.767 -8.725 -1.115 1.00 0.00 C ATOM 1227 CD GLU A 450 10.528 -8.527 0.181 1.00 0.00 C ATOM 1228 OE1 GLU A 450 11.256 -7.517 0.294 1.00 0.00 O ATOM 1229 OE2 GLU A 450 10.395 -9.379 1.084 1.00 0.00 O ATOM 0 H GLU A 450 6.377 -6.788 -1.777 1.00 0.00 H new ATOM 0 HA GLU A 450 7.766 -8.939 -2.924 1.00 0.00 H new ATOM 0 HB2 GLU A 450 8.654 -6.958 -1.581 1.00 0.00 H new ATOM 0 HB3 GLU A 450 8.113 -7.786 -0.134 1.00 0.00 H new ATOM 0 HG2 GLU A 450 9.554 -9.786 -1.248 1.00 0.00 H new ATOM 0 HG3 GLU A 450 10.395 -8.419 -1.951 1.00 0.00 H new ATOM 1236 N LYS A 451 6.170 -9.650 -0.111 1.00 0.00 N ATOM 1237 CA LYS A 451 5.639 -10.745 0.690 1.00 0.00 C ATOM 1238 C LYS A 451 4.696 -11.611 -0.140 1.00 0.00 C ATOM 1239 O LYS A 451 4.688 -12.836 -0.012 1.00 0.00 O ATOM 1240 CB LYS A 451 4.905 -10.201 1.916 1.00 0.00 C ATOM 1241 CG LYS A 451 4.579 -11.264 2.954 1.00 0.00 C ATOM 1242 CD LYS A 451 5.570 -11.242 4.106 1.00 0.00 C ATOM 1243 CE LYS A 451 6.812 -12.060 3.790 1.00 0.00 C ATOM 1244 NZ LYS A 451 7.944 -11.203 3.341 1.00 0.00 N ATOM 0 H LYS A 451 5.956 -8.721 0.252 1.00 0.00 H new ATOM 0 HA LYS A 451 6.475 -11.360 1.023 1.00 0.00 H new ATOM 0 HB2 LYS A 451 5.516 -9.427 2.381 1.00 0.00 H new ATOM 0 HB3 LYS A 451 3.979 -9.725 1.593 1.00 0.00 H new ATOM 0 HG2 LYS A 451 3.571 -11.103 3.337 1.00 0.00 H new ATOM 0 HG3 LYS A 451 4.588 -12.247 2.484 1.00 0.00 H new ATOM 0 HD2 LYS A 451 5.856 -10.213 4.321 1.00 0.00 H new ATOM 0 HD3 LYS A 451 5.094 -11.635 5.004 1.00 0.00 H new ATOM 0 HE2 LYS A 451 7.111 -12.622 4.675 1.00 0.00 H new ATOM 0 HE3 LYS A 451 6.579 -12.789 3.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 451 8.667 -11.794 2.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 451 7.596 -10.495 2.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 451 8.361 -10.720 4.162 1.00 0.00 H new ATOM 1258 N LEU A 452 3.905 -10.966 -0.989 1.00 0.00 N ATOM 1259 CA LEU A 452 2.960 -11.679 -1.842 1.00 0.00 C ATOM 1260 C LEU A 452 3.697 -12.532 -2.868 1.00 0.00 C ATOM 1261 O LEU A 452 3.260 -13.631 -3.208 1.00 0.00 O ATOM 1262 CB LEU A 452 2.032 -10.690 -2.555 1.00 0.00 C ATOM 1263 CG LEU A 452 0.700 -10.418 -1.850 1.00 0.00 C ATOM 1264 CD1 LEU A 452 -0.196 -9.553 -2.722 1.00 0.00 C ATOM 1265 CD2 LEU A 452 0.002 -11.725 -1.495 1.00 0.00 C ATOM 0 H LEU A 452 3.898 -9.953 -1.106 1.00 0.00 H new ATOM 0 HA LEU A 452 2.361 -12.334 -1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 452 2.560 -9.744 -2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 452 1.824 -11.069 -3.556 1.00 0.00 H new ATOM 0 HG LEU A 452 0.905 -9.879 -0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 452 -1.138 -9.369 -2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 452 0.299 -8.603 -2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 452 -0.392 -10.066 -3.664 1.00 0.00 H new ATOM 0 HD21 LEU A 452 -0.942 -11.509 -0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 452 -0.191 -12.293 -2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 452 0.639 -12.309 -0.831 1.00 0.00 H new ATOM 1277 N GLU A 453 4.824 -12.020 -3.355 1.00 0.00 N ATOM 1278 CA GLU A 453 5.625 -12.740 -4.337 1.00 0.00 C ATOM 1279 C GLU A 453 6.279 -13.962 -3.705 1.00 0.00 C ATOM 1280 O GLU A 453 6.353 -15.026 -4.319 1.00 0.00 O ATOM 1281 CB GLU A 453 6.696 -11.819 -4.927 1.00 0.00 C ATOM 1282 CG GLU A 453 6.967 -12.068 -6.401 1.00 0.00 C ATOM 1283 CD GLU A 453 7.894 -13.245 -6.632 1.00 0.00 C ATOM 1284 OE1 GLU A 453 9.124 -13.063 -6.516 1.00 0.00 O ATOM 1285 OE2 GLU A 453 7.391 -14.349 -6.929 1.00 0.00 O ATOM 0 H GLU A 453 5.201 -11.111 -3.086 1.00 0.00 H new ATOM 0 HA GLU A 453 4.965 -13.074 -5.138 1.00 0.00 H new ATOM 0 HB2 GLU A 453 6.386 -10.783 -4.793 1.00 0.00 H new ATOM 0 HB3 GLU A 453 7.623 -11.949 -4.369 1.00 0.00 H new ATOM 0 HG2 GLU A 453 6.023 -12.247 -6.915 1.00 0.00 H new ATOM 0 HG3 GLU A 453 7.405 -11.173 -6.842 1.00 0.00 H new ATOM 1292 N LYS A 454 6.748 -13.802 -2.472 1.00 0.00 N ATOM 1293 CA LYS A 454 7.393 -14.894 -1.752 1.00 0.00 C ATOM 1294 C LYS A 454 6.365 -15.912 -1.274 1.00 0.00 C ATOM 1295 O LYS A 454 6.659 -17.102 -1.161 1.00 0.00 O ATOM 1296 CB LYS A 454 8.184 -14.349 -0.560 1.00 0.00 C ATOM 1297 CG LYS A 454 9.640 -14.050 -0.882 1.00 0.00 C ATOM 1298 CD LYS A 454 10.585 -14.909 -0.056 1.00 0.00 C ATOM 1299 CE LYS A 454 10.373 -16.389 -0.328 1.00 0.00 C ATOM 1300 NZ LYS A 454 9.449 -17.011 0.660 1.00 0.00 N ATOM 0 H LYS A 454 6.694 -12.927 -1.951 1.00 0.00 H new ATOM 0 HA LYS A 454 8.079 -15.393 -2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 454 7.705 -13.437 -0.203 1.00 0.00 H new ATOM 0 HB3 LYS A 454 8.142 -15.072 0.255 1.00 0.00 H new ATOM 0 HG2 LYS A 454 9.822 -14.225 -1.942 1.00 0.00 H new ATOM 0 HG3 LYS A 454 9.846 -12.997 -0.693 1.00 0.00 H new ATOM 0 HD2 LYS A 454 11.616 -14.640 -0.284 1.00 0.00 H new ATOM 0 HD3 LYS A 454 10.430 -14.707 1.004 1.00 0.00 H new ATOM 0 HE2 LYS A 454 9.970 -16.519 -1.333 1.00 0.00 H new ATOM 0 HE3 LYS A 454 11.333 -16.904 -0.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 454 9.834 -17.927 0.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 454 9.349 -16.385 1.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 454 8.518 -17.156 0.221 1.00 0.00 H new ATOM 1314 N LYS A 455 5.154 -15.438 -0.993 1.00 0.00 N ATOM 1315 CA LYS A 455 4.078 -16.307 -0.528 1.00 0.00 C ATOM 1316 C LYS A 455 3.331 -16.923 -1.705 1.00 0.00 C ATOM 1317 O LYS A 455 2.841 -18.050 -1.620 1.00 0.00 O ATOM 1318 CB LYS A 455 3.107 -15.522 0.356 1.00 0.00 C ATOM 1319 CG LYS A 455 3.448 -15.584 1.838 1.00 0.00 C ATOM 1320 CD LYS A 455 2.772 -14.465 2.611 1.00 0.00 C ATOM 1321 CE LYS A 455 3.528 -14.136 3.889 1.00 0.00 C ATOM 1322 NZ LYS A 455 3.239 -15.115 4.974 1.00 0.00 N ATOM 0 H LYS A 455 4.894 -14.456 -1.080 1.00 0.00 H new ATOM 0 HA LYS A 455 4.521 -17.112 0.058 1.00 0.00 H new ATOM 0 HB2 LYS A 455 3.099 -14.480 0.037 1.00 0.00 H new ATOM 0 HB3 LYS A 455 2.099 -15.909 0.207 1.00 0.00 H new ATOM 0 HG2 LYS A 455 3.138 -16.547 2.244 1.00 0.00 H new ATOM 0 HG3 LYS A 455 4.528 -15.516 1.967 1.00 0.00 H new ATOM 0 HD2 LYS A 455 2.709 -13.575 1.985 1.00 0.00 H new ATOM 0 HD3 LYS A 455 1.750 -14.756 2.856 1.00 0.00 H new ATOM 0 HE2 LYS A 455 4.599 -14.126 3.685 1.00 0.00 H new ATOM 0 HE3 LYS A 455 3.258 -13.134 4.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 3.774 -14.855 5.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 2.221 -15.107 5.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 3.520 -16.068 4.666 1.00 0.00 H new ATOM 1336 N GLY A 456 3.243 -16.177 -2.800 1.00 0.00 N ATOM 1337 CA GLY A 456 2.554 -16.665 -3.980 1.00 0.00 C ATOM 1338 C GLY A 456 3.453 -16.720 -5.198 1.00 0.00 C ATOM 1339 O GLY A 456 3.045 -16.206 -6.262 1.00 0.00 O ATOM 1340 OXT GLY A 456 4.566 -17.274 -5.090 1.00 0.00 O ATOM 0 H GLY A 456 3.637 -15.241 -2.892 1.00 0.00 H new ATOM 0 HA2 GLY A 456 2.159 -17.661 -3.780 1.00 0.00 H new ATOM 0 HA3 GLY A 456 1.701 -16.020 -4.191 1.00 0.00 H new