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 379 SER OG : rot 45:sc= -1 USER MOD Set 1.2: A 431 GLN : amide:sc= -1.4 K(o=-2.4,f=-7.9!) 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= -0.131 X(o=-0.13,f=-0.0023) USER MOD Single : A 389 LYS NZ :NH3+ 180:sc= 0.368 (180deg=0.368) USER MOD Single : A 391 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 392 TYR OH : rot 30:sc= -0.549 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+ -152:sc= 0 (180deg=-0.0408) 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 110:sc= -0.367 USER MOD Single : A 415 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 417 THR OG1 : rot -25:sc= 1.13 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 30:sc= 0 USER MOD Single : A 433 SER OG : rot 180:sc= 0.094 USER MOD Single : A 436 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 439 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0137) USER MOD Single : A 443 CYS SG : rot 180:sc= 0 USER MOD Single : A 444 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 446 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.51) USER MOD Single : A 451 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 454 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 455 LYS NZ :NH3+ -147:sc= -0.407 (180deg=-1.39!) USER MOD ----------------------------------------------------------------- ATOM 43 N SER A 379 -0.586 17.076 1.108 1.00 0.00 N ATOM 44 CA SER A 379 0.121 15.820 0.898 1.00 0.00 C ATOM 45 C SER A 379 -0.106 14.859 2.063 1.00 0.00 C ATOM 46 O SER A 379 0.024 13.644 1.912 1.00 0.00 O ATOM 47 CB SER A 379 1.619 16.082 0.723 1.00 0.00 C ATOM 48 OG SER A 379 2.015 17.259 1.407 1.00 0.00 O ATOM 0 HA SER A 379 -0.273 15.358 -0.008 1.00 0.00 H new ATOM 0 HB2 SER A 379 2.186 15.231 1.099 1.00 0.00 H new ATOM 0 HB3 SER A 379 1.853 16.178 -0.337 1.00 0.00 H new ATOM 0 HG SER A 379 1.610 17.271 2.299 1.00 0.00 H new ATOM 54 N ILE A 380 -0.443 15.409 3.226 1.00 0.00 N ATOM 55 CA ILE A 380 -0.684 14.598 4.412 1.00 0.00 C ATOM 56 C ILE A 380 -1.916 13.713 4.244 1.00 0.00 C ATOM 57 O ILE A 380 -1.893 12.529 4.576 1.00 0.00 O ATOM 58 CB ILE A 380 -0.857 15.478 5.668 1.00 0.00 C ATOM 59 CG1 ILE A 380 -0.967 14.604 6.920 1.00 0.00 C ATOM 60 CG2 ILE A 380 -2.078 16.374 5.527 1.00 0.00 C ATOM 61 CD1 ILE A 380 0.257 14.661 7.808 1.00 0.00 C ATOM 0 H ILE A 380 -0.555 16.412 3.371 1.00 0.00 H new ATOM 0 HA ILE A 380 0.192 13.962 4.540 1.00 0.00 H new ATOM 0 HB ILE A 380 0.022 16.114 5.770 1.00 0.00 H new ATOM 0 HG12 ILE A 380 -1.838 14.917 7.496 1.00 0.00 H new ATOM 0 HG13 ILE A 380 -1.139 13.571 6.618 1.00 0.00 H new ATOM 0 HG21 ILE A 380 -2.184 16.987 6.422 1.00 0.00 H new ATOM 0 HG22 ILE A 380 -1.957 17.019 4.657 1.00 0.00 H new ATOM 0 HG23 ILE A 380 -2.969 15.758 5.401 1.00 0.00 H new ATOM 0 HD11 ILE A 380 0.108 14.018 8.675 1.00 0.00 H new ATOM 0 HD12 ILE A 380 1.128 14.320 7.249 1.00 0.00 H new ATOM 0 HD13 ILE A 380 0.418 15.687 8.140 1.00 0.00 H new ATOM 73 N LYS A 381 -2.996 14.294 3.730 1.00 0.00 N ATOM 74 CA LYS A 381 -4.237 13.556 3.523 1.00 0.00 C ATOM 75 C LYS A 381 -4.004 12.313 2.668 1.00 0.00 C ATOM 76 O LYS A 381 -4.568 11.250 2.930 1.00 0.00 O ATOM 77 CB LYS A 381 -5.284 14.454 2.862 1.00 0.00 C ATOM 78 CG LYS A 381 -4.785 15.147 1.606 1.00 0.00 C ATOM 79 CD LYS A 381 -5.252 14.430 0.350 1.00 0.00 C ATOM 80 CE LYS A 381 -6.558 15.010 -0.169 1.00 0.00 C ATOM 81 NZ LYS A 381 -7.450 13.958 -0.729 1.00 0.00 N ATOM 0 H LYS A 381 -3.037 15.274 3.449 1.00 0.00 H new ATOM 0 HA LYS A 381 -4.603 13.236 4.499 1.00 0.00 H new ATOM 0 HB2 LYS A 381 -6.159 13.854 2.613 1.00 0.00 H new ATOM 0 HB3 LYS A 381 -5.608 15.208 3.579 1.00 0.00 H new ATOM 0 HG2 LYS A 381 -5.141 16.177 1.592 1.00 0.00 H new ATOM 0 HG3 LYS A 381 -3.696 15.187 1.620 1.00 0.00 H new ATOM 0 HD2 LYS A 381 -4.486 14.508 -0.421 1.00 0.00 H new ATOM 0 HD3 LYS A 381 -5.383 13.369 0.563 1.00 0.00 H new ATOM 0 HE2 LYS A 381 -7.072 15.528 0.641 1.00 0.00 H new ATOM 0 HE3 LYS A 381 -6.345 15.752 -0.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 -8.329 14.395 -1.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 -6.970 13.480 -1.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 -7.675 13.263 0.011 1.00 0.00 H new ATOM 95 N LYS A 382 -3.169 12.455 1.643 1.00 0.00 N ATOM 96 CA LYS A 382 -2.863 11.347 0.747 1.00 0.00 C ATOM 97 C LYS A 382 -2.142 10.221 1.485 1.00 0.00 C ATOM 98 O LYS A 382 -2.588 9.074 1.473 1.00 0.00 O ATOM 99 CB LYS A 382 -2.012 11.836 -0.429 1.00 0.00 C ATOM 100 CG LYS A 382 -2.720 11.738 -1.771 1.00 0.00 C ATOM 101 CD LYS A 382 -2.448 12.960 -2.638 1.00 0.00 C ATOM 102 CE LYS A 382 -3.725 13.488 -3.273 1.00 0.00 C ATOM 103 NZ LYS A 382 -3.689 14.967 -3.446 1.00 0.00 N ATOM 0 H LYS A 382 -2.693 13.327 1.413 1.00 0.00 H new ATOM 0 HA LYS A 382 -3.805 10.953 0.366 1.00 0.00 H new ATOM 0 HB2 LYS A 382 -1.725 12.873 -0.253 1.00 0.00 H new ATOM 0 HB3 LYS A 382 -1.092 11.253 -0.469 1.00 0.00 H new ATOM 0 HG2 LYS A 382 -2.389 10.840 -2.293 1.00 0.00 H new ATOM 0 HG3 LYS A 382 -3.793 11.637 -1.610 1.00 0.00 H new ATOM 0 HD2 LYS A 382 -1.991 13.743 -2.032 1.00 0.00 H new ATOM 0 HD3 LYS A 382 -1.732 12.702 -3.418 1.00 0.00 H new ATOM 0 HE2 LYS A 382 -3.872 13.013 -4.243 1.00 0.00 H new ATOM 0 HE3 LYS A 382 -4.579 13.216 -2.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 382 -4.577 15.287 -3.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 382 -3.575 15.422 -2.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 382 -2.890 15.225 -4.059 1.00 0.00 H new ATOM 117 N ILE A 383 -1.024 10.555 2.127 1.00 0.00 N ATOM 118 CA ILE A 383 -0.245 9.567 2.865 1.00 0.00 C ATOM 119 C ILE A 383 -1.099 8.865 3.918 1.00 0.00 C ATOM 120 O ILE A 383 -0.931 7.672 4.171 1.00 0.00 O ATOM 121 CB ILE A 383 0.977 10.207 3.549 1.00 0.00 C ATOM 122 CG1 ILE A 383 0.541 11.369 4.441 1.00 0.00 C ATOM 123 CG2 ILE A 383 1.980 10.680 2.508 1.00 0.00 C ATOM 124 CD1 ILE A 383 1.651 11.917 5.310 1.00 0.00 C ATOM 0 H ILE A 383 -0.640 11.499 2.150 1.00 0.00 H new ATOM 0 HA ILE A 383 0.102 8.833 2.137 1.00 0.00 H new ATOM 0 HB ILE A 383 1.458 9.455 4.174 1.00 0.00 H new ATOM 0 HG12 ILE A 383 0.153 12.171 3.814 1.00 0.00 H new ATOM 0 HG13 ILE A 383 -0.279 11.038 5.079 1.00 0.00 H new ATOM 0 HG21 ILE A 383 2.838 11.130 3.008 1.00 0.00 H new ATOM 0 HG22 ILE A 383 2.312 9.831 1.911 1.00 0.00 H new ATOM 0 HG23 ILE A 383 1.510 11.419 1.859 1.00 0.00 H new ATOM 0 HD11 ILE A 383 1.268 12.739 5.915 1.00 0.00 H new ATOM 0 HD12 ILE A 383 2.024 11.129 5.964 1.00 0.00 H new ATOM 0 HD13 ILE A 383 2.462 12.279 4.679 1.00 0.00 H new ATOM 136 N ILE A 384 -2.019 9.609 4.525 1.00 0.00 N ATOM 137 CA ILE A 384 -2.900 9.048 5.543 1.00 0.00 C ATOM 138 C ILE A 384 -3.846 8.018 4.930 1.00 0.00 C ATOM 139 O ILE A 384 -3.943 6.888 5.410 1.00 0.00 O ATOM 140 CB ILE A 384 -3.726 10.148 6.246 1.00 0.00 C ATOM 141 CG1 ILE A 384 -2.799 11.149 6.935 1.00 0.00 C ATOM 142 CG2 ILE A 384 -4.687 9.534 7.256 1.00 0.00 C ATOM 143 CD1 ILE A 384 -3.399 12.531 7.075 1.00 0.00 C ATOM 0 H ILE A 384 -2.173 10.598 4.330 1.00 0.00 H new ATOM 0 HA ILE A 384 -2.267 8.562 6.285 1.00 0.00 H new ATOM 0 HB ILE A 384 -4.310 10.675 5.492 1.00 0.00 H new ATOM 0 HG12 ILE A 384 -2.541 10.772 7.925 1.00 0.00 H new ATOM 0 HG13 ILE A 384 -1.870 11.221 6.369 1.00 0.00 H new ATOM 0 HG21 ILE A 384 -5.260 10.325 7.741 1.00 0.00 H new ATOM 0 HG22 ILE A 384 -5.368 8.855 6.744 1.00 0.00 H new ATOM 0 HG23 ILE A 384 -4.122 8.983 8.007 1.00 0.00 H new ATOM 0 HD11 ILE A 384 -2.686 13.188 7.572 1.00 0.00 H new ATOM 0 HD12 ILE A 384 -3.631 12.929 6.087 1.00 0.00 H new ATOM 0 HD13 ILE A 384 -4.313 12.473 7.666 1.00 0.00 H new ATOM 155 N HIS A 385 -4.539 8.415 3.867 1.00 0.00 N ATOM 156 CA HIS A 385 -5.472 7.524 3.189 1.00 0.00 C ATOM 157 C HIS A 385 -4.767 6.254 2.724 1.00 0.00 C ATOM 158 O HIS A 385 -5.167 5.143 3.075 1.00 0.00 O ATOM 159 CB HIS A 385 -6.111 8.233 1.993 1.00 0.00 C ATOM 160 CG HIS A 385 -7.374 7.585 1.517 1.00 0.00 C ATOM 161 ND1 HIS A 385 -8.581 8.248 1.443 1.00 0.00 N ATOM 162 CD2 HIS A 385 -7.614 6.323 1.087 1.00 0.00 C ATOM 163 CE1 HIS A 385 -9.508 7.423 0.990 1.00 0.00 C ATOM 164 NE2 HIS A 385 -8.947 6.250 0.766 1.00 0.00 N ATOM 0 H HIS A 385 -4.472 9.347 3.458 1.00 0.00 H new ATOM 0 HA HIS A 385 -6.253 7.248 3.898 1.00 0.00 H new ATOM 0 HB2 HIS A 385 -6.323 9.267 2.265 1.00 0.00 H new ATOM 0 HB3 HIS A 385 -5.395 8.260 1.172 1.00 0.00 H new ATOM 0 HD2 HIS A 385 -6.892 5.524 1.011 1.00 0.00 H new ATOM 0 HE1 HIS A 385 -10.548 7.667 0.830 1.00 0.00 H new ATOM 0 HE2 HIS A 385 -9.426 5.422 0.412 1.00 0.00 H new ATOM 173 N VAL A 386 -3.711 6.427 1.936 1.00 0.00 N ATOM 174 CA VAL A 386 -2.943 5.297 1.427 1.00 0.00 C ATOM 175 C VAL A 386 -2.400 4.449 2.572 1.00 0.00 C ATOM 176 O VAL A 386 -2.353 3.222 2.480 1.00 0.00 O ATOM 177 CB VAL A 386 -1.770 5.764 0.546 1.00 0.00 C ATOM 178 CG1 VAL A 386 -2.286 6.435 -0.720 1.00 0.00 C ATOM 179 CG2 VAL A 386 -0.861 6.703 1.323 1.00 0.00 C ATOM 0 H VAL A 386 -3.368 7.339 1.636 1.00 0.00 H new ATOM 0 HA VAL A 386 -3.622 4.697 0.821 1.00 0.00 H new ATOM 0 HB VAL A 386 -1.188 4.890 0.254 1.00 0.00 H new ATOM 0 HG11 VAL A 386 -1.443 6.758 -1.330 1.00 0.00 H new ATOM 0 HG12 VAL A 386 -2.893 5.728 -1.285 1.00 0.00 H new ATOM 0 HG13 VAL A 386 -2.893 7.300 -0.452 1.00 0.00 H new ATOM 0 HG21 VAL A 386 -0.037 7.023 0.685 1.00 0.00 H new ATOM 0 HG22 VAL A 386 -1.430 7.575 1.646 1.00 0.00 H new ATOM 0 HG23 VAL A 386 -0.463 6.185 2.196 1.00 0.00 H new ATOM 189 N LEU A 387 -1.998 5.111 3.652 1.00 0.00 N ATOM 190 CA LEU A 387 -1.465 4.418 4.819 1.00 0.00 C ATOM 191 C LEU A 387 -2.492 3.436 5.372 1.00 0.00 C ATOM 192 O LEU A 387 -2.201 2.253 5.556 1.00 0.00 O ATOM 193 CB LEU A 387 -1.064 5.422 5.900 1.00 0.00 C ATOM 194 CG LEU A 387 0.384 5.910 5.828 1.00 0.00 C ATOM 195 CD1 LEU A 387 0.558 7.190 6.631 1.00 0.00 C ATOM 196 CD2 LEU A 387 1.332 4.831 6.328 1.00 0.00 C ATOM 0 H LEU A 387 -2.031 6.126 3.743 1.00 0.00 H new ATOM 0 HA LEU A 387 -0.579 3.862 4.512 1.00 0.00 H new ATOM 0 HB2 LEU A 387 -1.726 6.286 5.835 1.00 0.00 H new ATOM 0 HB3 LEU A 387 -1.229 4.966 6.876 1.00 0.00 H new ATOM 0 HG LEU A 387 0.625 6.125 4.787 1.00 0.00 H new ATOM 0 HD11 LEU A 387 1.594 7.521 6.568 1.00 0.00 H new ATOM 0 HD12 LEU A 387 -0.096 7.964 6.228 1.00 0.00 H new ATOM 0 HD13 LEU A 387 0.300 7.003 7.673 1.00 0.00 H new ATOM 0 HD21 LEU A 387 2.358 5.193 6.271 1.00 0.00 H new ATOM 0 HD22 LEU A 387 1.091 4.586 7.362 1.00 0.00 H new ATOM 0 HD23 LEU A 387 1.227 3.939 5.710 1.00 0.00 H new ATOM 208 N GLU A 388 -3.699 3.933 5.628 1.00 0.00 N ATOM 209 CA GLU A 388 -4.772 3.098 6.151 1.00 0.00 C ATOM 210 C GLU A 388 -5.070 1.949 5.194 1.00 0.00 C ATOM 211 O GLU A 388 -5.222 0.800 5.611 1.00 0.00 O ATOM 212 CB GLU A 388 -6.035 3.931 6.376 1.00 0.00 C ATOM 213 CG GLU A 388 -5.918 4.916 7.528 1.00 0.00 C ATOM 214 CD GLU A 388 -7.182 4.991 8.363 1.00 0.00 C ATOM 215 OE1 GLU A 388 -8.204 5.491 7.848 1.00 0.00 O ATOM 216 OE2 GLU A 388 -7.148 4.551 9.532 1.00 0.00 O ATOM 0 H GLU A 388 -3.957 4.909 5.481 1.00 0.00 H new ATOM 0 HA GLU A 388 -4.448 2.684 7.106 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -6.266 4.479 5.463 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.873 3.261 6.566 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.083 4.626 8.165 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -5.689 5.906 7.133 1.00 0.00 H new ATOM 223 N LYS A 389 -5.145 2.268 3.904 1.00 0.00 N ATOM 224 CA LYS A 389 -5.415 1.264 2.883 1.00 0.00 C ATOM 225 C LYS A 389 -4.383 0.141 2.950 1.00 0.00 C ATOM 226 O LYS A 389 -4.732 -1.039 2.918 1.00 0.00 O ATOM 227 CB LYS A 389 -5.410 1.901 1.492 1.00 0.00 C ATOM 228 CG LYS A 389 -6.622 1.533 0.650 1.00 0.00 C ATOM 229 CD LYS A 389 -6.674 0.040 0.369 1.00 0.00 C ATOM 230 CE LYS A 389 -7.708 -0.657 1.239 1.00 0.00 C ATOM 231 NZ LYS A 389 -7.235 -1.989 1.707 1.00 0.00 N ATOM 0 H LYS A 389 -5.022 3.214 3.543 1.00 0.00 H new ATOM 0 HA LYS A 389 -6.402 0.842 3.071 1.00 0.00 H new ATOM 0 HB2 LYS A 389 -5.367 2.985 1.598 1.00 0.00 H new ATOM 0 HB3 LYS A 389 -4.506 1.596 0.965 1.00 0.00 H new ATOM 0 HG2 LYS A 389 -7.532 1.839 1.167 1.00 0.00 H new ATOM 0 HG3 LYS A 389 -6.591 2.081 -0.292 1.00 0.00 H new ATOM 0 HD2 LYS A 389 -6.911 -0.125 -0.682 1.00 0.00 H new ATOM 0 HD3 LYS A 389 -5.692 -0.399 0.547 1.00 0.00 H new ATOM 0 HE2 LYS A 389 -7.939 -0.031 2.101 1.00 0.00 H new ATOM 0 HE3 LYS A 389 -8.634 -0.778 0.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 -7.969 -2.431 2.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 -7.039 -2.596 0.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 -6.366 -1.872 2.266 1.00 0.00 H new ATOM 245 N VAL A 390 -3.112 0.518 3.051 1.00 0.00 N ATOM 246 CA VAL A 390 -2.035 -0.458 3.133 1.00 0.00 C ATOM 247 C VAL A 390 -2.163 -1.287 4.406 1.00 0.00 C ATOM 248 O VAL A 390 -1.917 -2.493 4.400 1.00 0.00 O ATOM 249 CB VAL A 390 -0.650 0.221 3.101 1.00 0.00 C ATOM 250 CG1 VAL A 390 0.461 -0.811 3.226 1.00 0.00 C ATOM 251 CG2 VAL A 390 -0.487 1.033 1.826 1.00 0.00 C ATOM 0 H VAL A 390 -2.805 1.490 3.078 1.00 0.00 H new ATOM 0 HA VAL A 390 -2.120 -1.109 2.263 1.00 0.00 H new ATOM 0 HB VAL A 390 -0.580 0.898 3.953 1.00 0.00 H new ATOM 0 HG11 VAL A 390 1.428 -0.309 3.201 1.00 0.00 H new ATOM 0 HG12 VAL A 390 0.355 -1.348 4.169 1.00 0.00 H new ATOM 0 HG13 VAL A 390 0.397 -1.517 2.398 1.00 0.00 H new ATOM 0 HG21 VAL A 390 0.495 1.506 1.819 1.00 0.00 H new ATOM 0 HG22 VAL A 390 -0.580 0.376 0.962 1.00 0.00 H new ATOM 0 HG23 VAL A 390 -1.259 1.801 1.782 1.00 0.00 H new ATOM 261 N GLN A 391 -2.564 -0.635 5.494 1.00 0.00 N ATOM 262 CA GLN A 391 -2.740 -1.319 6.770 1.00 0.00 C ATOM 263 C GLN A 391 -3.733 -2.466 6.616 1.00 0.00 C ATOM 264 O GLN A 391 -3.430 -3.616 6.937 1.00 0.00 O ATOM 265 CB GLN A 391 -3.228 -0.340 7.838 1.00 0.00 C ATOM 266 CG GLN A 391 -2.115 0.489 8.459 1.00 0.00 C ATOM 267 CD GLN A 391 -2.369 0.803 9.920 1.00 0.00 C ATOM 268 OE1 GLN A 391 -1.575 0.448 10.792 1.00 0.00 O ATOM 269 NE2 GLN A 391 -3.480 1.475 10.196 1.00 0.00 N ATOM 0 H GLN A 391 -2.772 0.363 5.517 1.00 0.00 H new ATOM 0 HA GLN A 391 -1.778 -1.723 7.084 1.00 0.00 H new ATOM 0 HB2 GLN A 391 -3.965 0.330 7.395 1.00 0.00 H new ATOM 0 HB3 GLN A 391 -3.736 -0.897 8.625 1.00 0.00 H new ATOM 0 HG2 GLN A 391 -1.171 -0.048 8.365 1.00 0.00 H new ATOM 0 HG3 GLN A 391 -2.008 1.421 7.904 1.00 0.00 H new ATOM 0 HE21 GLN A 391 -4.110 1.750 9.443 1.00 0.00 H new ATOM 0 HE22 GLN A 391 -3.703 1.717 11.161 1.00 0.00 H new ATOM 278 N TYR A 392 -4.917 -2.143 6.103 1.00 0.00 N ATOM 279 CA TYR A 392 -5.949 -3.148 5.885 1.00 0.00 C ATOM 280 C TYR A 392 -5.424 -4.240 4.961 1.00 0.00 C ATOM 281 O TYR A 392 -5.607 -5.431 5.218 1.00 0.00 O ATOM 282 CB TYR A 392 -7.203 -2.510 5.283 1.00 0.00 C ATOM 283 CG TYR A 392 -7.589 -1.200 5.930 1.00 0.00 C ATOM 284 CD1 TYR A 392 -7.677 -1.084 7.312 1.00 0.00 C ATOM 285 CD2 TYR A 392 -7.865 -0.078 5.159 1.00 0.00 C ATOM 286 CE1 TYR A 392 -8.031 0.111 7.907 1.00 0.00 C ATOM 287 CE2 TYR A 392 -8.219 1.122 5.746 1.00 0.00 C ATOM 288 CZ TYR A 392 -8.301 1.211 7.120 1.00 0.00 C ATOM 289 OH TYR A 392 -8.653 2.404 7.709 1.00 0.00 O ATOM 0 H TYR A 392 -5.184 -1.196 5.832 1.00 0.00 H new ATOM 0 HA TYR A 392 -6.213 -3.589 6.846 1.00 0.00 H new ATOM 0 HB2 TYR A 392 -7.040 -2.345 4.218 1.00 0.00 H new ATOM 0 HB3 TYR A 392 -8.035 -3.209 5.374 1.00 0.00 H new ATOM 0 HD1 TYR A 392 -7.465 -1.943 7.931 1.00 0.00 H new ATOM 0 HD2 TYR A 392 -7.802 -0.145 4.083 1.00 0.00 H new ATOM 0 HE1 TYR A 392 -8.096 0.184 8.983 1.00 0.00 H new ATOM 0 HE2 TYR A 392 -8.430 1.985 5.132 1.00 0.00 H new ATOM 0 HH TYR A 392 -8.229 2.471 8.590 1.00 0.00 H new ATOM 299 N LEU A 393 -4.753 -3.821 3.891 1.00 0.00 N ATOM 300 CA LEU A 393 -4.181 -4.757 2.934 1.00 0.00 C ATOM 301 C LEU A 393 -3.145 -5.640 3.618 1.00 0.00 C ATOM 302 O LEU A 393 -3.048 -6.834 3.337 1.00 0.00 O ATOM 303 CB LEU A 393 -3.544 -4.000 1.765 1.00 0.00 C ATOM 304 CG LEU A 393 -4.370 -3.980 0.479 1.00 0.00 C ATOM 305 CD1 LEU A 393 -4.171 -2.668 -0.264 1.00 0.00 C ATOM 306 CD2 LEU A 393 -4.001 -5.159 -0.408 1.00 0.00 C ATOM 0 H LEU A 393 -4.593 -2.839 3.667 1.00 0.00 H new ATOM 0 HA LEU A 393 -4.979 -5.390 2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 393 -3.359 -2.972 2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 393 -2.574 -4.447 1.548 1.00 0.00 H new ATOM 0 HG LEU A 393 -5.424 -4.066 0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 393 -4.767 -2.673 -1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 393 -4.485 -1.839 0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 393 -3.118 -2.550 -0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 393 -4.598 -5.130 -1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 393 -2.943 -5.104 -0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 393 -4.197 -6.090 0.124 1.00 0.00 H new ATOM 318 N GLU A 394 -2.380 -5.043 4.528 1.00 0.00 N ATOM 319 CA GLU A 394 -1.358 -5.774 5.267 1.00 0.00 C ATOM 320 C GLU A 394 -1.996 -6.907 6.059 1.00 0.00 C ATOM 321 O GLU A 394 -1.535 -8.049 6.018 1.00 0.00 O ATOM 322 CB GLU A 394 -0.605 -4.834 6.210 1.00 0.00 C ATOM 323 CG GLU A 394 0.635 -4.213 5.587 1.00 0.00 C ATOM 324 CD GLU A 394 1.623 -3.720 6.627 1.00 0.00 C ATOM 325 OE1 GLU A 394 1.181 -3.128 7.633 1.00 0.00 O ATOM 326 OE2 GLU A 394 2.840 -3.926 6.434 1.00 0.00 O ATOM 0 H GLU A 394 -2.449 -4.055 4.770 1.00 0.00 H new ATOM 0 HA GLU A 394 -0.648 -6.194 4.555 1.00 0.00 H new ATOM 0 HB2 GLU A 394 -1.278 -4.039 6.530 1.00 0.00 H new ATOM 0 HB3 GLU A 394 -0.315 -5.386 7.104 1.00 0.00 H new ATOM 0 HG2 GLU A 394 1.123 -4.948 4.947 1.00 0.00 H new ATOM 0 HG3 GLU A 394 0.339 -3.381 4.949 1.00 0.00 H new ATOM 333 N GLN A 395 -3.072 -6.587 6.772 1.00 0.00 N ATOM 334 CA GLN A 395 -3.783 -7.584 7.562 1.00 0.00 C ATOM 335 C GLN A 395 -4.315 -8.690 6.659 1.00 0.00 C ATOM 336 O GLN A 395 -4.196 -9.876 6.970 1.00 0.00 O ATOM 337 CB GLN A 395 -4.935 -6.933 8.330 1.00 0.00 C ATOM 338 CG GLN A 395 -4.495 -5.796 9.237 1.00 0.00 C ATOM 339 CD GLN A 395 -5.346 -5.686 10.488 1.00 0.00 C ATOM 340 OE1 GLN A 395 -5.023 -6.267 11.525 1.00 0.00 O ATOM 341 NE2 GLN A 395 -6.440 -4.940 10.395 1.00 0.00 N ATOM 0 H GLN A 395 -3.469 -5.648 6.818 1.00 0.00 H new ATOM 0 HA GLN A 395 -3.087 -8.019 8.279 1.00 0.00 H new ATOM 0 HB2 GLN A 395 -5.668 -6.555 7.617 1.00 0.00 H new ATOM 0 HB3 GLN A 395 -5.436 -7.693 8.930 1.00 0.00 H new ATOM 0 HG2 GLN A 395 -3.454 -5.946 9.522 1.00 0.00 H new ATOM 0 HG3 GLN A 395 -4.543 -4.857 8.686 1.00 0.00 H new ATOM 0 HE21 GLN A 395 -6.668 -4.477 9.515 1.00 0.00 H new ATOM 0 HE22 GLN A 395 -7.052 -4.830 11.203 1.00 0.00 H new ATOM 350 N GLU A 396 -4.895 -8.292 5.528 1.00 0.00 N ATOM 351 CA GLU A 396 -5.438 -9.248 4.572 1.00 0.00 C ATOM 352 C GLU A 396 -4.353 -10.207 4.098 1.00 0.00 C ATOM 353 O GLU A 396 -4.476 -11.420 4.247 1.00 0.00 O ATOM 354 CB GLU A 396 -6.049 -8.519 3.374 1.00 0.00 C ATOM 355 CG GLU A 396 -6.913 -7.331 3.764 1.00 0.00 C ATOM 356 CD GLU A 396 -8.318 -7.418 3.199 1.00 0.00 C ATOM 357 OE1 GLU A 396 -8.822 -8.549 3.030 1.00 0.00 O ATOM 358 OE2 GLU A 396 -8.915 -6.355 2.926 1.00 0.00 O ATOM 0 H GLU A 396 -5.000 -7.315 5.254 1.00 0.00 H new ATOM 0 HA GLU A 396 -6.219 -9.822 5.071 1.00 0.00 H new ATOM 0 HB2 GLU A 396 -5.247 -8.176 2.720 1.00 0.00 H new ATOM 0 HB3 GLU A 396 -6.651 -9.223 2.799 1.00 0.00 H new ATOM 0 HG2 GLU A 396 -6.966 -7.267 4.851 1.00 0.00 H new ATOM 0 HG3 GLU A 396 -6.441 -6.413 3.413 1.00 0.00 H new ATOM 365 N VAL A 397 -3.283 -9.654 3.529 1.00 0.00 N ATOM 366 CA VAL A 397 -2.176 -10.470 3.043 1.00 0.00 C ATOM 367 C VAL A 397 -1.652 -11.381 4.148 1.00 0.00 C ATOM 368 O VAL A 397 -1.263 -12.522 3.896 1.00 0.00 O ATOM 369 CB VAL A 397 -1.019 -9.603 2.504 1.00 0.00 C ATOM 370 CG1 VAL A 397 -0.463 -8.704 3.596 1.00 0.00 C ATOM 371 CG2 VAL A 397 0.078 -10.481 1.917 1.00 0.00 C ATOM 0 H VAL A 397 -3.161 -8.650 3.395 1.00 0.00 H new ATOM 0 HA VAL A 397 -2.563 -11.076 2.224 1.00 0.00 H new ATOM 0 HB VAL A 397 -1.410 -8.967 1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 397 0.351 -8.102 3.192 1.00 0.00 H new ATOM 0 HG12 VAL A 397 -1.252 -8.047 3.963 1.00 0.00 H new ATOM 0 HG13 VAL A 397 -0.089 -9.317 4.417 1.00 0.00 H new ATOM 0 HG21 VAL A 397 0.886 -9.852 1.542 1.00 0.00 H new ATOM 0 HG22 VAL A 397 0.465 -11.146 2.690 1.00 0.00 H new ATOM 0 HG23 VAL A 397 -0.330 -11.074 1.099 1.00 0.00 H new ATOM 381 N GLU A 398 -1.653 -10.872 5.376 1.00 0.00 N ATOM 382 CA GLU A 398 -1.188 -11.643 6.520 1.00 0.00 C ATOM 383 C GLU A 398 -2.082 -12.858 6.740 1.00 0.00 C ATOM 384 O GLU A 398 -1.601 -13.956 7.021 1.00 0.00 O ATOM 385 CB GLU A 398 -1.167 -10.772 7.778 1.00 0.00 C ATOM 386 CG GLU A 398 0.027 -11.037 8.681 1.00 0.00 C ATOM 387 CD GLU A 398 -0.336 -11.864 9.899 1.00 0.00 C ATOM 388 OE1 GLU A 398 -1.205 -12.754 9.776 1.00 0.00 O ATOM 389 OE2 GLU A 398 0.250 -11.624 10.976 1.00 0.00 O ATOM 0 H GLU A 398 -1.971 -9.930 5.603 1.00 0.00 H new ATOM 0 HA GLU A 398 -0.174 -11.986 6.315 1.00 0.00 H new ATOM 0 HB2 GLU A 398 -1.163 -9.723 7.483 1.00 0.00 H new ATOM 0 HB3 GLU A 398 -2.084 -10.941 8.343 1.00 0.00 H new ATOM 0 HG2 GLU A 398 0.800 -11.554 8.113 1.00 0.00 H new ATOM 0 HG3 GLU A 398 0.451 -10.087 9.005 1.00 0.00 H new ATOM 396 N GLU A 399 -3.388 -12.651 6.600 1.00 0.00 N ATOM 397 CA GLU A 399 -4.356 -13.729 6.775 1.00 0.00 C ATOM 398 C GLU A 399 -4.650 -14.431 5.448 1.00 0.00 C ATOM 399 O GLU A 399 -5.414 -15.396 5.406 1.00 0.00 O ATOM 400 CB GLU A 399 -5.653 -13.183 7.373 1.00 0.00 C ATOM 401 CG GLU A 399 -5.630 -13.091 8.891 1.00 0.00 C ATOM 402 CD GLU A 399 -5.791 -14.442 9.559 1.00 0.00 C ATOM 403 OE1 GLU A 399 -5.407 -15.458 8.943 1.00 0.00 O ATOM 404 OE2 GLU A 399 -6.302 -14.484 10.698 1.00 0.00 O ATOM 0 H GLU A 399 -3.800 -11.748 6.366 1.00 0.00 H new ATOM 0 HA GLU A 399 -3.923 -14.459 7.459 1.00 0.00 H new ATOM 0 HB2 GLU A 399 -5.846 -12.193 6.960 1.00 0.00 H new ATOM 0 HB3 GLU A 399 -6.482 -13.822 7.068 1.00 0.00 H new ATOM 0 HG2 GLU A 399 -4.689 -12.642 9.210 1.00 0.00 H new ATOM 0 HG3 GLU A 399 -6.429 -12.428 9.223 1.00 0.00 H new ATOM 411 N PHE A 400 -4.042 -13.939 4.366 1.00 0.00 N ATOM 412 CA PHE A 400 -4.239 -14.516 3.036 1.00 0.00 C ATOM 413 C PHE A 400 -4.163 -16.043 3.082 1.00 0.00 C ATOM 414 O PHE A 400 -3.344 -16.612 3.803 1.00 0.00 O ATOM 415 CB PHE A 400 -3.191 -13.961 2.065 1.00 0.00 C ATOM 416 CG PHE A 400 -3.296 -14.515 0.673 1.00 0.00 C ATOM 417 CD1 PHE A 400 -4.266 -14.053 -0.205 1.00 0.00 C ATOM 418 CD2 PHE A 400 -2.424 -15.500 0.241 1.00 0.00 C ATOM 419 CE1 PHE A 400 -4.362 -14.567 -1.481 1.00 0.00 C ATOM 420 CE2 PHE A 400 -2.517 -16.019 -1.035 1.00 0.00 C ATOM 421 CZ PHE A 400 -3.489 -15.552 -1.898 1.00 0.00 C ATOM 0 H PHE A 400 -3.408 -13.140 4.386 1.00 0.00 H new ATOM 0 HA PHE A 400 -5.233 -14.239 2.686 1.00 0.00 H new ATOM 0 HB2 PHE A 400 -3.289 -12.876 2.022 1.00 0.00 H new ATOM 0 HB3 PHE A 400 -2.197 -14.176 2.457 1.00 0.00 H new ATOM 0 HD1 PHE A 400 -4.953 -13.283 0.114 1.00 0.00 H new ATOM 0 HD2 PHE A 400 -1.661 -15.867 0.911 1.00 0.00 H new ATOM 0 HE1 PHE A 400 -5.121 -14.199 -2.155 1.00 0.00 H new ATOM 0 HE2 PHE A 400 -1.831 -16.788 -1.358 1.00 0.00 H new ATOM 0 HZ PHE A 400 -3.566 -15.956 -2.897 1.00 0.00 H new ATOM 431 N VAL A 401 -5.033 -16.696 2.313 1.00 0.00 N ATOM 432 CA VAL A 401 -5.081 -18.157 2.268 1.00 0.00 C ATOM 433 C VAL A 401 -3.682 -18.769 2.160 1.00 0.00 C ATOM 434 O VAL A 401 -3.280 -19.567 3.007 1.00 0.00 O ATOM 435 CB VAL A 401 -5.960 -18.649 1.094 1.00 0.00 C ATOM 436 CG1 VAL A 401 -5.585 -17.946 -0.201 1.00 0.00 C ATOM 437 CG2 VAL A 401 -5.864 -20.162 0.937 1.00 0.00 C ATOM 0 H VAL A 401 -5.716 -16.235 1.711 1.00 0.00 H new ATOM 0 HA VAL A 401 -5.526 -18.487 3.207 1.00 0.00 H new ATOM 0 HB VAL A 401 -6.995 -18.399 1.325 1.00 0.00 H new ATOM 0 HG11 VAL A 401 -6.218 -18.311 -1.010 1.00 0.00 H new ATOM 0 HG12 VAL A 401 -5.726 -16.871 -0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 401 -4.541 -18.151 -0.437 1.00 0.00 H new ATOM 0 HG21 VAL A 401 -6.491 -20.482 0.105 1.00 0.00 H new ATOM 0 HG22 VAL A 401 -4.829 -20.442 0.740 1.00 0.00 H new ATOM 0 HG23 VAL A 401 -6.203 -20.645 1.853 1.00 0.00 H new ATOM 447 N GLY A 402 -2.947 -18.393 1.120 1.00 0.00 N ATOM 448 CA GLY A 402 -1.607 -18.916 0.930 1.00 0.00 C ATOM 449 C GLY A 402 -1.286 -19.179 -0.527 1.00 0.00 C ATOM 450 O GLY A 402 -0.130 -19.091 -0.942 1.00 0.00 O ATOM 0 H GLY A 402 -3.255 -17.735 0.404 1.00 0.00 H new ATOM 0 HA2 GLY A 402 -0.884 -18.208 1.336 1.00 0.00 H new ATOM 0 HA3 GLY A 402 -1.499 -19.842 1.495 1.00 0.00 H new ATOM 454 N LYS A 403 -2.310 -19.503 -1.308 1.00 0.00 N ATOM 455 CA LYS A 403 -2.134 -19.780 -2.729 1.00 0.00 C ATOM 456 C LYS A 403 -2.857 -18.740 -3.579 1.00 0.00 C ATOM 457 O LYS A 403 -3.855 -18.162 -3.152 1.00 0.00 O ATOM 458 CB LYS A 403 -2.648 -21.181 -3.068 1.00 0.00 C ATOM 459 CG LYS A 403 -2.439 -21.572 -4.520 1.00 0.00 C ATOM 460 CD LYS A 403 -3.079 -22.916 -4.834 1.00 0.00 C ATOM 461 CE LYS A 403 -2.201 -24.070 -4.377 1.00 0.00 C ATOM 462 NZ LYS A 403 -3.007 -25.203 -3.844 1.00 0.00 N ATOM 0 H LYS A 403 -3.273 -19.580 -0.980 1.00 0.00 H new ATOM 0 HA LYS A 403 -1.068 -19.730 -2.953 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -2.145 -21.907 -2.429 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -3.712 -21.234 -2.836 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -2.863 -20.806 -5.169 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -1.371 -21.617 -4.736 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -4.051 -22.981 -4.345 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -3.256 -22.994 -5.907 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -1.594 -24.418 -5.213 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -1.513 -23.720 -3.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -2.372 -25.970 -3.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -3.567 -24.878 -3.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -3.646 -25.554 -4.586 1.00 0.00 H new ATOM 476 N LYS A 404 -2.347 -18.508 -4.785 1.00 0.00 N ATOM 477 CA LYS A 404 -2.947 -17.536 -5.693 1.00 0.00 C ATOM 478 C LYS A 404 -4.191 -18.112 -6.363 1.00 0.00 C ATOM 479 O LYS A 404 -4.252 -18.235 -7.586 1.00 0.00 O ATOM 480 CB LYS A 404 -1.932 -17.106 -6.754 1.00 0.00 C ATOM 481 CG LYS A 404 -2.417 -15.962 -7.631 1.00 0.00 C ATOM 482 CD LYS A 404 -1.471 -15.711 -8.793 1.00 0.00 C ATOM 483 CE LYS A 404 -0.125 -15.192 -8.316 1.00 0.00 C ATOM 484 NZ LYS A 404 0.900 -16.271 -8.268 1.00 0.00 N ATOM 0 H LYS A 404 -1.521 -18.979 -5.156 1.00 0.00 H new ATOM 0 HA LYS A 404 -3.243 -16.664 -5.110 1.00 0.00 H new ATOM 0 HB2 LYS A 404 -1.007 -16.808 -6.260 1.00 0.00 H new ATOM 0 HB3 LYS A 404 -1.694 -17.962 -7.386 1.00 0.00 H new ATOM 0 HG2 LYS A 404 -3.412 -16.192 -8.013 1.00 0.00 H new ATOM 0 HG3 LYS A 404 -2.507 -15.056 -7.032 1.00 0.00 H new ATOM 0 HD2 LYS A 404 -1.328 -16.635 -9.353 1.00 0.00 H new ATOM 0 HD3 LYS A 404 -1.918 -14.990 -9.478 1.00 0.00 H new ATOM 0 HE2 LYS A 404 0.214 -14.398 -8.981 1.00 0.00 H new ATOM 0 HE3 LYS A 404 -0.236 -14.752 -7.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 404 1.608 -16.045 -7.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 404 0.442 -17.175 -8.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 404 1.368 -16.347 -9.194 1.00 0.00 H new ATOM 498 N THR A 405 -5.184 -18.462 -5.551 1.00 0.00 N ATOM 499 CA THR A 405 -6.428 -19.026 -6.064 1.00 0.00 C ATOM 500 C THR A 405 -7.637 -18.228 -5.580 1.00 0.00 C ATOM 501 O THR A 405 -8.649 -18.138 -6.274 1.00 0.00 O ATOM 502 CB THR A 405 -6.564 -20.488 -5.631 1.00 0.00 C ATOM 503 OG1 THR A 405 -5.973 -20.691 -4.360 1.00 0.00 O ATOM 504 CG2 THR A 405 -5.920 -21.459 -6.598 1.00 0.00 C ATOM 0 H THR A 405 -5.152 -18.365 -4.536 1.00 0.00 H new ATOM 0 HA THR A 405 -6.396 -18.973 -7.152 1.00 0.00 H new ATOM 0 HB THR A 405 -7.636 -20.684 -5.603 1.00 0.00 H new ATOM 0 HG1 THR A 405 -6.072 -21.631 -4.100 1.00 0.00 H new ATOM 0 HG21 THR A 405 -6.052 -22.478 -6.233 1.00 0.00 H new ATOM 0 HG22 THR A 405 -6.388 -21.361 -7.578 1.00 0.00 H new ATOM 0 HG23 THR A 405 -4.856 -21.238 -6.681 1.00 0.00 H new ATOM 512 N ASP A 406 -7.526 -17.649 -4.388 1.00 0.00 N ATOM 513 CA ASP A 406 -8.611 -16.861 -3.816 1.00 0.00 C ATOM 514 C ASP A 406 -8.622 -15.449 -4.394 1.00 0.00 C ATOM 515 O ASP A 406 -7.578 -14.909 -4.761 1.00 0.00 O ATOM 516 CB ASP A 406 -8.477 -16.804 -2.292 1.00 0.00 C ATOM 517 CG ASP A 406 -9.600 -16.021 -1.640 1.00 0.00 C ATOM 518 OD1 ASP A 406 -10.777 -16.357 -1.883 1.00 0.00 O ATOM 519 OD2 ASP A 406 -9.300 -15.071 -0.886 1.00 0.00 O ATOM 0 H ASP A 406 -6.695 -17.711 -3.800 1.00 0.00 H new ATOM 0 HA ASP A 406 -9.554 -17.344 -4.072 1.00 0.00 H new ATOM 0 HB2 ASP A 406 -8.466 -17.818 -1.893 1.00 0.00 H new ATOM 0 HB3 ASP A 406 -7.522 -16.349 -2.031 1.00 0.00 H new ATOM 524 N LYS A 407 -9.810 -14.856 -4.471 1.00 0.00 N ATOM 525 CA LYS A 407 -9.959 -13.506 -5.005 1.00 0.00 C ATOM 526 C LYS A 407 -9.151 -12.500 -4.189 1.00 0.00 C ATOM 527 O LYS A 407 -8.790 -11.431 -4.685 1.00 0.00 O ATOM 528 CB LYS A 407 -11.435 -13.102 -5.018 1.00 0.00 C ATOM 529 CG LYS A 407 -12.347 -14.157 -5.626 1.00 0.00 C ATOM 530 CD LYS A 407 -13.553 -14.430 -4.742 1.00 0.00 C ATOM 531 CE LYS A 407 -14.753 -14.881 -5.560 1.00 0.00 C ATOM 532 NZ LYS A 407 -15.856 -15.387 -4.698 1.00 0.00 N ATOM 0 H LYS A 407 -10.683 -15.289 -4.170 1.00 0.00 H new ATOM 0 HA LYS A 407 -9.578 -13.504 -6.026 1.00 0.00 H new ATOM 0 HB2 LYS A 407 -11.757 -12.899 -3.997 1.00 0.00 H new ATOM 0 HB3 LYS A 407 -11.544 -12.173 -5.577 1.00 0.00 H new ATOM 0 HG2 LYS A 407 -12.683 -13.826 -6.609 1.00 0.00 H new ATOM 0 HG3 LYS A 407 -11.788 -15.081 -5.775 1.00 0.00 H new ATOM 0 HD2 LYS A 407 -13.302 -15.197 -4.009 1.00 0.00 H new ATOM 0 HD3 LYS A 407 -13.809 -13.529 -4.185 1.00 0.00 H new ATOM 0 HE2 LYS A 407 -15.116 -14.048 -6.161 1.00 0.00 H new ATOM 0 HE3 LYS A 407 -14.446 -15.664 -6.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 407 -16.654 -15.684 -5.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 407 -15.518 -16.199 -4.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 407 -16.167 -14.632 -4.054 1.00 0.00 H new ATOM 546 N ALA A 408 -8.871 -12.847 -2.935 1.00 0.00 N ATOM 547 CA ALA A 408 -8.107 -11.976 -2.052 1.00 0.00 C ATOM 548 C ALA A 408 -6.815 -11.510 -2.716 1.00 0.00 C ATOM 549 O ALA A 408 -6.476 -10.330 -2.673 1.00 0.00 O ATOM 550 CB ALA A 408 -7.801 -12.690 -0.743 1.00 0.00 C ATOM 0 H ALA A 408 -9.163 -13.727 -2.509 1.00 0.00 H new ATOM 0 HA ALA A 408 -8.713 -11.095 -1.842 1.00 0.00 H new ATOM 0 HB1 ALA A 408 -7.230 -12.028 -0.092 1.00 0.00 H new ATOM 0 HB2 ALA A 408 -8.734 -12.965 -0.252 1.00 0.00 H new ATOM 0 HB3 ALA A 408 -7.220 -13.589 -0.946 1.00 0.00 H new ATOM 556 N TYR A 409 -6.102 -12.443 -3.335 1.00 0.00 N ATOM 557 CA TYR A 409 -4.850 -12.121 -4.011 1.00 0.00 C ATOM 558 C TYR A 409 -5.090 -11.115 -5.131 1.00 0.00 C ATOM 559 O TYR A 409 -4.316 -10.173 -5.312 1.00 0.00 O ATOM 560 CB TYR A 409 -4.202 -13.385 -4.567 1.00 0.00 C ATOM 561 CG TYR A 409 -2.743 -13.212 -4.931 1.00 0.00 C ATOM 562 CD1 TYR A 409 -2.373 -12.720 -6.176 1.00 0.00 C ATOM 563 CD2 TYR A 409 -1.739 -13.540 -4.030 1.00 0.00 C ATOM 564 CE1 TYR A 409 -1.042 -12.561 -6.513 1.00 0.00 C ATOM 565 CE2 TYR A 409 -0.407 -13.383 -4.357 1.00 0.00 C ATOM 566 CZ TYR A 409 -0.062 -12.893 -5.600 1.00 0.00 C ATOM 567 OH TYR A 409 1.264 -12.736 -5.930 1.00 0.00 O ATOM 0 H TYR A 409 -6.368 -13.427 -3.383 1.00 0.00 H new ATOM 0 HA TYR A 409 -4.173 -11.675 -3.283 1.00 0.00 H new ATOM 0 HB2 TYR A 409 -4.291 -14.183 -3.830 1.00 0.00 H new ATOM 0 HB3 TYR A 409 -4.752 -13.706 -5.452 1.00 0.00 H new ATOM 0 HD1 TYR A 409 -3.138 -12.457 -6.892 1.00 0.00 H new ATOM 0 HD2 TYR A 409 -2.005 -13.925 -3.056 1.00 0.00 H new ATOM 0 HE1 TYR A 409 -0.770 -12.179 -7.486 1.00 0.00 H new ATOM 0 HE2 TYR A 409 0.361 -13.642 -3.644 1.00 0.00 H new ATOM 0 HH TYR A 409 1.645 -11.997 -5.411 1.00 0.00 H new ATOM 577 N TRP A 410 -6.175 -11.313 -5.879 1.00 0.00 N ATOM 578 CA TRP A 410 -6.519 -10.415 -6.973 1.00 0.00 C ATOM 579 C TRP A 410 -6.662 -8.988 -6.457 1.00 0.00 C ATOM 580 O TRP A 410 -5.973 -8.078 -6.917 1.00 0.00 O ATOM 581 CB TRP A 410 -7.821 -10.854 -7.644 1.00 0.00 C ATOM 582 CG TRP A 410 -7.807 -12.279 -8.108 1.00 0.00 C ATOM 583 CD1 TRP A 410 -6.710 -13.049 -8.365 1.00 0.00 C ATOM 584 CD2 TRP A 410 -8.947 -13.101 -8.376 1.00 0.00 C ATOM 585 NE1 TRP A 410 -7.099 -14.302 -8.774 1.00 0.00 N ATOM 586 CE2 TRP A 410 -8.469 -14.359 -8.788 1.00 0.00 C ATOM 587 CE3 TRP A 410 -10.329 -12.896 -8.303 1.00 0.00 C ATOM 588 CZ2 TRP A 410 -9.322 -15.405 -9.127 1.00 0.00 C ATOM 589 CZ3 TRP A 410 -11.175 -13.935 -8.640 1.00 0.00 C ATOM 590 CH2 TRP A 410 -10.669 -15.176 -9.047 1.00 0.00 C ATOM 0 H TRP A 410 -6.827 -12.086 -5.745 1.00 0.00 H new ATOM 0 HA TRP A 410 -5.716 -10.452 -7.710 1.00 0.00 H new ATOM 0 HB2 TRP A 410 -8.645 -10.717 -6.944 1.00 0.00 H new ATOM 0 HB3 TRP A 410 -8.017 -10.205 -8.497 1.00 0.00 H new ATOM 0 HD1 TRP A 410 -5.686 -12.722 -8.262 1.00 0.00 H new ATOM 0 HE1 TRP A 410 -6.471 -15.065 -9.026 1.00 0.00 H new ATOM 0 HE3 TRP A 410 -10.727 -11.943 -7.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 410 -8.935 -16.363 -9.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 410 -12.244 -13.788 -8.589 1.00 0.00 H new ATOM 0 HH2 TRP A 410 -11.356 -15.969 -9.303 1.00 0.00 H new ATOM 601 N LEU A 411 -7.553 -8.805 -5.487 1.00 0.00 N ATOM 602 CA LEU A 411 -7.775 -7.492 -4.899 1.00 0.00 C ATOM 603 C LEU A 411 -6.540 -7.042 -4.128 1.00 0.00 C ATOM 604 O LEU A 411 -6.257 -5.849 -4.031 1.00 0.00 O ATOM 605 CB LEU A 411 -8.993 -7.513 -3.975 1.00 0.00 C ATOM 606 CG LEU A 411 -8.936 -8.541 -2.844 1.00 0.00 C ATOM 607 CD1 LEU A 411 -8.137 -8.001 -1.666 1.00 0.00 C ATOM 608 CD2 LEU A 411 -10.342 -8.924 -2.408 1.00 0.00 C ATOM 0 H LEU A 411 -8.130 -9.548 -5.094 1.00 0.00 H new ATOM 0 HA LEU A 411 -7.965 -6.784 -5.705 1.00 0.00 H new ATOM 0 HB2 LEU A 411 -9.114 -6.522 -3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 411 -9.881 -7.707 -4.576 1.00 0.00 H new ATOM 0 HG LEU A 411 -8.433 -9.434 -3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 411 -8.109 -8.748 -0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 411 -7.120 -7.776 -1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 411 -8.609 -7.092 -1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 411 -10.286 -9.656 -1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 411 -10.868 -8.037 -2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 411 -10.880 -9.354 -3.253 1.00 0.00 H new ATOM 620 N LEU A 412 -5.800 -8.007 -3.588 1.00 0.00 N ATOM 621 CA LEU A 412 -4.588 -7.714 -2.835 1.00 0.00 C ATOM 622 C LEU A 412 -3.620 -6.893 -3.685 1.00 0.00 C ATOM 623 O LEU A 412 -3.377 -5.715 -3.413 1.00 0.00 O ATOM 624 CB LEU A 412 -3.912 -9.014 -2.387 1.00 0.00 C ATOM 625 CG LEU A 412 -4.376 -9.567 -1.034 1.00 0.00 C ATOM 626 CD1 LEU A 412 -4.018 -11.040 -0.906 1.00 0.00 C ATOM 627 CD2 LEU A 412 -3.760 -8.769 0.103 1.00 0.00 C ATOM 0 H LEU A 412 -6.021 -9.000 -3.659 1.00 0.00 H new ATOM 0 HA LEU A 412 -4.862 -7.135 -1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 412 -4.085 -9.774 -3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 412 -2.836 -8.847 -2.342 1.00 0.00 H new ATOM 0 HG LEU A 412 -5.460 -9.472 -0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 412 -4.356 -11.414 0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 412 -4.504 -11.603 -1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 412 -2.937 -11.160 -0.984 1.00 0.00 H new ATOM 0 HD21 LEU A 412 -4.099 -9.174 1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 412 -2.673 -8.834 0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 412 -4.065 -7.726 0.022 1.00 0.00 H new ATOM 639 N GLU A 413 -3.078 -7.526 -4.722 1.00 0.00 N ATOM 640 CA GLU A 413 -2.143 -6.859 -5.620 1.00 0.00 C ATOM 641 C GLU A 413 -2.815 -5.687 -6.329 1.00 0.00 C ATOM 642 O GLU A 413 -2.239 -4.604 -6.440 1.00 0.00 O ATOM 643 CB GLU A 413 -1.598 -7.850 -6.650 1.00 0.00 C ATOM 644 CG GLU A 413 -0.342 -8.573 -6.194 1.00 0.00 C ATOM 645 CD GLU A 413 0.390 -9.247 -7.337 1.00 0.00 C ATOM 646 OE1 GLU A 413 -0.267 -9.959 -8.126 1.00 0.00 O ATOM 647 OE2 GLU A 413 1.620 -9.063 -7.444 1.00 0.00 O ATOM 0 H GLU A 413 -3.271 -8.499 -4.960 1.00 0.00 H new ATOM 0 HA GLU A 413 -1.315 -6.474 -5.024 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -2.369 -8.586 -6.876 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -1.384 -7.317 -7.577 1.00 0.00 H new ATOM 0 HG2 GLU A 413 0.326 -7.862 -5.709 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -0.609 -9.321 -5.447 1.00 0.00 H new ATOM 654 N GLU A 414 -4.036 -5.909 -6.807 1.00 0.00 N ATOM 655 CA GLU A 414 -4.786 -4.868 -7.503 1.00 0.00 C ATOM 656 C GLU A 414 -4.931 -3.627 -6.626 1.00 0.00 C ATOM 657 O GLU A 414 -4.532 -2.528 -7.018 1.00 0.00 O ATOM 658 CB GLU A 414 -6.167 -5.386 -7.906 1.00 0.00 C ATOM 659 CG GLU A 414 -6.946 -4.422 -8.784 1.00 0.00 C ATOM 660 CD GLU A 414 -7.948 -5.128 -9.677 1.00 0.00 C ATOM 661 OE1 GLU A 414 -7.775 -6.340 -9.922 1.00 0.00 O ATOM 662 OE2 GLU A 414 -8.908 -4.468 -10.131 1.00 0.00 O ATOM 0 H GLU A 414 -4.527 -6.799 -6.725 1.00 0.00 H new ATOM 0 HA GLU A 414 -4.233 -4.595 -8.402 1.00 0.00 H new ATOM 0 HB2 GLU A 414 -6.051 -6.332 -8.434 1.00 0.00 H new ATOM 0 HB3 GLU A 414 -6.745 -5.592 -7.005 1.00 0.00 H new ATOM 0 HG2 GLU A 414 -7.470 -3.704 -8.153 1.00 0.00 H new ATOM 0 HG3 GLU A 414 -6.250 -3.855 -9.402 1.00 0.00 H new ATOM 669 N MET A 415 -5.497 -3.812 -5.438 1.00 0.00 N ATOM 670 CA MET A 415 -5.686 -2.710 -4.503 1.00 0.00 C ATOM 671 C MET A 415 -4.356 -2.029 -4.201 1.00 0.00 C ATOM 672 O MET A 415 -4.282 -0.804 -4.101 1.00 0.00 O ATOM 673 CB MET A 415 -6.326 -3.215 -3.208 1.00 0.00 C ATOM 674 CG MET A 415 -7.766 -3.671 -3.378 1.00 0.00 C ATOM 675 SD MET A 415 -8.955 -2.392 -2.932 1.00 0.00 S ATOM 676 CE MET A 415 -10.106 -3.333 -1.932 1.00 0.00 C ATOM 0 H MET A 415 -5.832 -4.714 -5.100 1.00 0.00 H new ATOM 0 HA MET A 415 -6.352 -1.980 -4.963 1.00 0.00 H new ATOM 0 HB2 MET A 415 -5.735 -4.044 -2.820 1.00 0.00 H new ATOM 0 HB3 MET A 415 -6.291 -2.421 -2.462 1.00 0.00 H new ATOM 0 HG2 MET A 415 -7.929 -3.968 -4.414 1.00 0.00 H new ATOM 0 HG3 MET A 415 -7.939 -4.553 -2.762 1.00 0.00 H new ATOM 0 HE1 MET A 415 -10.903 -2.678 -1.580 1.00 0.00 H new ATOM 0 HE2 MET A 415 -10.535 -4.137 -2.530 1.00 0.00 H new ATOM 0 HE3 MET A 415 -9.582 -3.758 -1.076 1.00 0.00 H new ATOM 686 N LEU A 416 -3.305 -2.832 -4.064 1.00 0.00 N ATOM 687 CA LEU A 416 -1.973 -2.304 -3.782 1.00 0.00 C ATOM 688 C LEU A 416 -1.555 -1.295 -4.849 1.00 0.00 C ATOM 689 O LEU A 416 -1.249 -0.142 -4.543 1.00 0.00 O ATOM 690 CB LEU A 416 -0.950 -3.446 -3.717 1.00 0.00 C ATOM 691 CG LEU A 416 -0.169 -3.558 -2.404 1.00 0.00 C ATOM 692 CD1 LEU A 416 0.242 -2.185 -1.893 1.00 0.00 C ATOM 693 CD2 LEU A 416 -0.994 -4.296 -1.360 1.00 0.00 C ATOM 0 H LEU A 416 -3.349 -3.848 -4.143 1.00 0.00 H new ATOM 0 HA LEU A 416 -2.005 -1.799 -2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 416 -1.471 -4.387 -3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 416 -0.238 -3.320 -4.533 1.00 0.00 H new ATOM 0 HG LEU A 416 0.740 -4.128 -2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 416 0.795 -2.295 -0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 416 0.874 -1.695 -2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 416 -0.648 -1.580 -1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 416 -0.426 -4.368 -0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 416 -1.921 -3.752 -1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 416 -1.227 -5.298 -1.722 1.00 0.00 H new ATOM 705 N THR A 417 -1.544 -1.740 -6.102 1.00 0.00 N ATOM 706 CA THR A 417 -1.162 -0.882 -7.219 1.00 0.00 C ATOM 707 C THR A 417 -2.024 0.375 -7.262 1.00 0.00 C ATOM 708 O THR A 417 -1.518 1.480 -7.462 1.00 0.00 O ATOM 709 CB THR A 417 -1.286 -1.644 -8.540 1.00 0.00 C ATOM 710 OG1 THR A 417 -2.600 -2.147 -8.706 1.00 0.00 O ATOM 711 CG2 THR A 417 -0.331 -2.812 -8.648 1.00 0.00 C ATOM 0 H THR A 417 -1.796 -2.692 -6.370 1.00 0.00 H new ATOM 0 HA THR A 417 -0.124 -0.583 -7.075 1.00 0.00 H new ATOM 0 HB THR A 417 -1.039 -0.920 -9.316 1.00 0.00 H new ATOM 0 HG1 THR A 417 -3.021 -2.258 -7.828 1.00 0.00 H new ATOM 0 HG21 THR A 417 -0.471 -3.309 -9.608 1.00 0.00 H new ATOM 0 HG22 THR A 417 0.695 -2.451 -8.572 1.00 0.00 H new ATOM 0 HG23 THR A 417 -0.528 -3.519 -7.842 1.00 0.00 H new ATOM 719 N LYS A 418 -3.329 0.200 -7.069 1.00 0.00 N ATOM 720 CA LYS A 418 -4.259 1.325 -7.086 1.00 0.00 C ATOM 721 C LYS A 418 -3.829 2.399 -6.090 1.00 0.00 C ATOM 722 O LYS A 418 -3.723 3.576 -6.437 1.00 0.00 O ATOM 723 CB LYS A 418 -5.675 0.846 -6.758 1.00 0.00 C ATOM 724 CG LYS A 418 -6.451 0.367 -7.973 1.00 0.00 C ATOM 725 CD LYS A 418 -7.952 0.482 -7.758 1.00 0.00 C ATOM 726 CE LYS A 418 -8.465 -0.601 -6.823 1.00 0.00 C ATOM 727 NZ LYS A 418 -9.550 -0.100 -5.935 1.00 0.00 N ATOM 0 H LYS A 418 -3.765 -0.707 -6.900 1.00 0.00 H new ATOM 0 HA LYS A 418 -4.252 1.758 -8.086 1.00 0.00 H new ATOM 0 HB2 LYS A 418 -5.616 0.035 -6.032 1.00 0.00 H new ATOM 0 HB3 LYS A 418 -6.224 1.659 -6.284 1.00 0.00 H new ATOM 0 HG2 LYS A 418 -6.162 0.953 -8.845 1.00 0.00 H new ATOM 0 HG3 LYS A 418 -6.191 -0.670 -8.186 1.00 0.00 H new ATOM 0 HD2 LYS A 418 -8.187 1.463 -7.344 1.00 0.00 H new ATOM 0 HD3 LYS A 418 -8.465 0.409 -8.717 1.00 0.00 H new ATOM 0 HE2 LYS A 418 -8.835 -1.442 -7.410 1.00 0.00 H new ATOM 0 HE3 LYS A 418 -7.642 -0.975 -6.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 418 -9.872 -0.869 -5.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 418 -9.190 0.686 -5.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 418 -10.347 0.234 -6.514 1.00 0.00 H new ATOM 741 N GLU A 419 -3.579 1.985 -4.852 1.00 0.00 N ATOM 742 CA GLU A 419 -3.155 2.910 -3.809 1.00 0.00 C ATOM 743 C GLU A 419 -1.838 3.581 -4.183 1.00 0.00 C ATOM 744 O GLU A 419 -1.670 4.786 -3.999 1.00 0.00 O ATOM 745 CB GLU A 419 -3.007 2.177 -2.475 1.00 0.00 C ATOM 746 CG GLU A 419 -3.436 3.005 -1.277 1.00 0.00 C ATOM 747 CD GLU A 419 -4.862 3.506 -1.397 1.00 0.00 C ATOM 748 OE1 GLU A 419 -5.645 2.895 -2.156 1.00 0.00 O ATOM 749 OE2 GLU A 419 -5.198 4.509 -0.733 1.00 0.00 O ATOM 0 H GLU A 419 -3.663 1.015 -4.547 1.00 0.00 H new ATOM 0 HA GLU A 419 -3.920 3.680 -3.708 1.00 0.00 H new ATOM 0 HB2 GLU A 419 -3.599 1.262 -2.505 1.00 0.00 H new ATOM 0 HB3 GLU A 419 -1.966 1.879 -2.347 1.00 0.00 H new ATOM 0 HG2 GLU A 419 -3.340 2.405 -0.372 1.00 0.00 H new ATOM 0 HG3 GLU A 419 -2.763 3.856 -1.168 1.00 0.00 H new ATOM 756 N LEU A 420 -0.906 2.792 -4.711 1.00 0.00 N ATOM 757 CA LEU A 420 0.395 3.310 -5.113 1.00 0.00 C ATOM 758 C LEU A 420 0.240 4.433 -6.134 1.00 0.00 C ATOM 759 O LEU A 420 0.799 5.518 -5.969 1.00 0.00 O ATOM 760 CB LEU A 420 1.258 2.189 -5.698 1.00 0.00 C ATOM 761 CG LEU A 420 2.742 2.524 -5.849 1.00 0.00 C ATOM 762 CD1 LEU A 420 3.558 1.257 -6.050 1.00 0.00 C ATOM 763 CD2 LEU A 420 2.955 3.486 -7.007 1.00 0.00 C ATOM 0 H LEU A 420 -1.029 1.792 -4.870 1.00 0.00 H new ATOM 0 HA LEU A 420 0.887 3.712 -4.227 1.00 0.00 H new ATOM 0 HB2 LEU A 420 1.163 1.309 -5.062 1.00 0.00 H new ATOM 0 HB3 LEU A 420 0.861 1.919 -6.677 1.00 0.00 H new ATOM 0 HG LEU A 420 3.081 3.008 -4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 420 4.612 1.516 -6.156 1.00 0.00 H new ATOM 0 HD12 LEU A 420 3.430 0.601 -5.189 1.00 0.00 H new ATOM 0 HD13 LEU A 420 3.218 0.744 -6.950 1.00 0.00 H new ATOM 0 HD21 LEU A 420 4.017 3.714 -7.100 1.00 0.00 H new ATOM 0 HD22 LEU A 420 2.600 3.028 -7.930 1.00 0.00 H new ATOM 0 HD23 LEU A 420 2.401 4.407 -6.822 1.00 0.00 H new ATOM 775 N LEU A 421 -0.525 4.167 -7.185 1.00 0.00 N ATOM 776 CA LEU A 421 -0.759 5.155 -8.231 1.00 0.00 C ATOM 777 C LEU A 421 -1.426 6.401 -7.656 1.00 0.00 C ATOM 778 O LEU A 421 -1.073 7.525 -8.009 1.00 0.00 O ATOM 779 CB LEU A 421 -1.628 4.562 -9.341 1.00 0.00 C ATOM 780 CG LEU A 421 -1.297 5.047 -10.753 1.00 0.00 C ATOM 781 CD1 LEU A 421 0.018 4.449 -11.229 1.00 0.00 C ATOM 782 CD2 LEU A 421 -2.423 4.697 -11.714 1.00 0.00 C ATOM 0 H LEU A 421 -0.995 3.274 -7.336 1.00 0.00 H new ATOM 0 HA LEU A 421 0.206 5.439 -8.652 1.00 0.00 H new ATOM 0 HB2 LEU A 421 -1.533 3.476 -9.315 1.00 0.00 H new ATOM 0 HB3 LEU A 421 -2.671 4.796 -9.128 1.00 0.00 H new ATOM 0 HG LEU A 421 -1.191 6.132 -10.728 1.00 0.00 H new ATOM 0 HD11 LEU A 421 0.237 4.806 -12.236 1.00 0.00 H new ATOM 0 HD12 LEU A 421 0.820 4.750 -10.555 1.00 0.00 H new ATOM 0 HD13 LEU A 421 -0.059 3.362 -11.238 1.00 0.00 H new ATOM 0 HD21 LEU A 421 -2.171 5.050 -12.714 1.00 0.00 H new ATOM 0 HD22 LEU A 421 -2.561 3.616 -11.734 1.00 0.00 H new ATOM 0 HD23 LEU A 421 -3.345 5.174 -11.383 1.00 0.00 H new ATOM 794 N GLU A 422 -2.391 6.189 -6.766 1.00 0.00 N ATOM 795 CA GLU A 422 -3.105 7.295 -6.138 1.00 0.00 C ATOM 796 C GLU A 422 -2.199 8.047 -5.168 1.00 0.00 C ATOM 797 O GLU A 422 -2.363 9.248 -4.956 1.00 0.00 O ATOM 798 CB GLU A 422 -4.342 6.776 -5.401 1.00 0.00 C ATOM 799 CG GLU A 422 -5.603 6.783 -6.250 1.00 0.00 C ATOM 800 CD GLU A 422 -5.499 5.871 -7.457 1.00 0.00 C ATOM 801 OE1 GLU A 422 -4.525 6.015 -8.228 1.00 0.00 O ATOM 802 OE2 GLU A 422 -6.389 5.013 -7.631 1.00 0.00 O ATOM 0 H GLU A 422 -2.696 5.264 -6.464 1.00 0.00 H new ATOM 0 HA GLU A 422 -3.419 7.985 -6.922 1.00 0.00 H new ATOM 0 HB2 GLU A 422 -4.150 5.759 -5.058 1.00 0.00 H new ATOM 0 HB3 GLU A 422 -4.508 7.386 -4.513 1.00 0.00 H new ATOM 0 HG2 GLU A 422 -6.450 6.474 -5.638 1.00 0.00 H new ATOM 0 HG3 GLU A 422 -5.806 7.800 -6.584 1.00 0.00 H new ATOM 809 N LEU A 423 -1.240 7.333 -4.585 1.00 0.00 N ATOM 810 CA LEU A 423 -0.308 7.935 -3.639 1.00 0.00 C ATOM 811 C LEU A 423 0.715 8.805 -4.362 1.00 0.00 C ATOM 812 O LEU A 423 1.123 9.851 -3.857 1.00 0.00 O ATOM 813 CB LEU A 423 0.410 6.846 -2.836 1.00 0.00 C ATOM 814 CG LEU A 423 1.493 7.353 -1.882 1.00 0.00 C ATOM 815 CD1 LEU A 423 1.539 6.503 -0.622 1.00 0.00 C ATOM 816 CD2 LEU A 423 2.849 7.357 -2.573 1.00 0.00 C ATOM 0 H LEU A 423 -1.089 6.338 -4.751 1.00 0.00 H new ATOM 0 HA LEU A 423 -0.878 8.566 -2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 423 -0.331 6.293 -2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 423 0.862 6.141 -3.533 1.00 0.00 H new ATOM 0 HG LEU A 423 1.247 8.375 -1.595 1.00 0.00 H new ATOM 0 HD11 LEU A 423 2.316 6.880 0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 423 0.574 6.549 -0.116 1.00 0.00 H new ATOM 0 HD13 LEU A 423 1.760 5.469 -0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 423 3.609 7.720 -1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 423 3.100 6.344 -2.888 1.00 0.00 H new ATOM 0 HD23 LEU A 423 2.811 8.009 -3.445 1.00 0.00 H new ATOM 828 N ASP A 424 1.126 8.368 -5.546 1.00 0.00 N ATOM 829 CA ASP A 424 2.103 9.106 -6.341 1.00 0.00 C ATOM 830 C ASP A 424 1.624 10.528 -6.630 1.00 0.00 C ATOM 831 O ASP A 424 2.424 11.405 -6.957 1.00 0.00 O ATOM 832 CB ASP A 424 2.380 8.373 -7.655 1.00 0.00 C ATOM 833 CG ASP A 424 3.544 7.408 -7.545 1.00 0.00 C ATOM 834 OD1 ASP A 424 4.601 7.810 -7.014 1.00 0.00 O ATOM 835 OD2 ASP A 424 3.398 6.250 -7.988 1.00 0.00 O ATOM 0 H ASP A 424 0.798 7.505 -5.979 1.00 0.00 H new ATOM 0 HA ASP A 424 3.025 9.168 -5.762 1.00 0.00 H new ATOM 0 HB2 ASP A 424 1.487 7.827 -7.959 1.00 0.00 H new ATOM 0 HB3 ASP A 424 2.589 9.102 -8.438 1.00 0.00 H new ATOM 840 N SER A 425 0.319 10.752 -6.513 1.00 0.00 N ATOM 841 CA SER A 425 -0.258 12.067 -6.770 1.00 0.00 C ATOM 842 C SER A 425 0.098 13.056 -5.661 1.00 0.00 C ATOM 843 O SER A 425 0.144 14.264 -5.889 1.00 0.00 O ATOM 844 CB SER A 425 -1.777 11.963 -6.906 1.00 0.00 C ATOM 845 OG SER A 425 -2.135 11.151 -8.012 1.00 0.00 O ATOM 0 H SER A 425 -0.359 10.040 -6.242 1.00 0.00 H new ATOM 0 HA SER A 425 0.162 12.438 -7.705 1.00 0.00 H new ATOM 0 HB2 SER A 425 -2.200 11.545 -5.992 1.00 0.00 H new ATOM 0 HB3 SER A 425 -2.204 12.959 -7.028 1.00 0.00 H new ATOM 0 HG SER A 425 -3.111 11.099 -8.077 1.00 0.00 H new ATOM 851 N VAL A 426 0.344 12.540 -4.458 1.00 0.00 N ATOM 852 CA VAL A 426 0.690 13.389 -3.322 1.00 0.00 C ATOM 853 C VAL A 426 1.909 14.255 -3.632 1.00 0.00 C ATOM 854 O VAL A 426 2.848 13.809 -4.290 1.00 0.00 O ATOM 855 CB VAL A 426 0.968 12.555 -2.052 1.00 0.00 C ATOM 856 CG1 VAL A 426 2.233 11.722 -2.212 1.00 0.00 C ATOM 857 CG2 VAL A 426 1.065 13.460 -0.833 1.00 0.00 C ATOM 0 H VAL A 426 0.310 11.543 -4.246 1.00 0.00 H new ATOM 0 HA VAL A 426 -0.170 14.032 -3.138 1.00 0.00 H new ATOM 0 HB VAL A 426 0.134 11.869 -1.905 1.00 0.00 H new ATOM 0 HG11 VAL A 426 2.406 11.145 -1.304 1.00 0.00 H new ATOM 0 HG12 VAL A 426 2.117 11.043 -3.057 1.00 0.00 H new ATOM 0 HG13 VAL A 426 3.083 12.381 -2.390 1.00 0.00 H new ATOM 0 HG21 VAL A 426 1.261 12.857 0.053 1.00 0.00 H new ATOM 0 HG22 VAL A 426 1.877 14.174 -0.973 1.00 0.00 H new ATOM 0 HG23 VAL A 426 0.126 13.999 -0.705 1.00 0.00 H new ATOM 867 N GLU A 427 1.885 15.496 -3.155 1.00 0.00 N ATOM 868 CA GLU A 427 2.988 16.423 -3.384 1.00 0.00 C ATOM 869 C GLU A 427 3.662 16.810 -2.071 1.00 0.00 C ATOM 870 O GLU A 427 3.177 17.678 -1.345 1.00 0.00 O ATOM 871 CB GLU A 427 2.486 17.678 -4.101 1.00 0.00 C ATOM 872 CG GLU A 427 2.546 17.578 -5.616 1.00 0.00 C ATOM 873 CD GLU A 427 2.245 18.897 -6.299 1.00 0.00 C ATOM 874 OE1 GLU A 427 1.077 19.339 -6.250 1.00 0.00 O ATOM 875 OE2 GLU A 427 3.176 19.490 -6.883 1.00 0.00 O ATOM 0 H GLU A 427 1.115 15.882 -2.608 1.00 0.00 H new ATOM 0 HA GLU A 427 3.724 15.921 -4.013 1.00 0.00 H new ATOM 0 HB2 GLU A 427 1.457 17.872 -3.799 1.00 0.00 H new ATOM 0 HB3 GLU A 427 3.080 18.533 -3.778 1.00 0.00 H new ATOM 0 HG2 GLU A 427 3.537 17.236 -5.915 1.00 0.00 H new ATOM 0 HG3 GLU A 427 1.833 16.826 -5.955 1.00 0.00 H new ATOM 882 N THR A 428 4.782 16.160 -1.773 1.00 0.00 N ATOM 883 CA THR A 428 5.524 16.437 -0.547 1.00 0.00 C ATOM 884 C THR A 428 6.597 17.494 -0.792 1.00 0.00 C ATOM 885 O THR A 428 7.782 17.178 -0.890 1.00 0.00 O ATOM 886 CB THR A 428 6.164 15.155 -0.011 1.00 0.00 C ATOM 887 OG1 THR A 428 6.874 15.414 1.187 1.00 0.00 O ATOM 888 CG2 THR A 428 7.128 14.516 -0.987 1.00 0.00 C ATOM 0 H THR A 428 5.196 15.438 -2.363 1.00 0.00 H new ATOM 0 HA THR A 428 4.824 16.820 0.196 1.00 0.00 H new ATOM 0 HB THR A 428 5.336 14.467 0.161 1.00 0.00 H new ATOM 0 HG1 THR A 428 6.451 16.158 1.664 1.00 0.00 H new ATOM 0 HG21 THR A 428 7.547 13.612 -0.546 1.00 0.00 H new ATOM 0 HG22 THR A 428 6.600 14.260 -1.906 1.00 0.00 H new ATOM 0 HG23 THR A 428 7.933 15.215 -1.214 1.00 0.00 H new ATOM 896 N GLY A 429 6.172 18.749 -0.893 1.00 0.00 N ATOM 897 CA GLY A 429 7.109 19.832 -1.127 1.00 0.00 C ATOM 898 C GLY A 429 7.632 20.441 0.159 1.00 0.00 C ATOM 899 O GLY A 429 7.292 21.574 0.501 1.00 0.00 O ATOM 0 H GLY A 429 5.196 19.035 -0.817 1.00 0.00 H new ATOM 0 HA2 GLY A 429 7.948 19.460 -1.716 1.00 0.00 H new ATOM 0 HA3 GLY A 429 6.622 20.607 -1.719 1.00 0.00 H new ATOM 903 N GLY A 430 8.464 19.690 0.873 1.00 0.00 N ATOM 904 CA GLY A 430 9.025 20.182 2.118 1.00 0.00 C ATOM 905 C GLY A 430 8.408 19.525 3.338 1.00 0.00 C ATOM 906 O GLY A 430 9.035 19.455 4.395 1.00 0.00 O ATOM 0 H GLY A 430 8.760 18.749 0.612 1.00 0.00 H new ATOM 0 HA2 GLY A 430 10.101 20.007 2.121 1.00 0.00 H new ATOM 0 HA3 GLY A 430 8.877 21.260 2.177 1.00 0.00 H new ATOM 910 N GLN A 431 7.177 19.046 3.194 1.00 0.00 N ATOM 911 CA GLN A 431 6.478 18.395 4.296 1.00 0.00 C ATOM 912 C GLN A 431 7.248 17.172 4.785 1.00 0.00 C ATOM 913 O GLN A 431 7.130 16.083 4.220 1.00 0.00 O ATOM 914 CB GLN A 431 5.069 17.987 3.868 1.00 0.00 C ATOM 915 CG GLN A 431 4.089 17.876 5.025 1.00 0.00 C ATOM 916 CD GLN A 431 2.660 18.164 4.610 1.00 0.00 C ATOM 917 OE1 GLN A 431 2.402 18.584 3.481 1.00 0.00 O ATOM 918 NE2 GLN A 431 1.721 17.940 5.522 1.00 0.00 N ATOM 0 H GLN A 431 6.643 19.096 2.326 1.00 0.00 H new ATOM 0 HA GLN A 431 6.407 19.109 5.117 1.00 0.00 H new ATOM 0 HB2 GLN A 431 4.691 18.716 3.151 1.00 0.00 H new ATOM 0 HB3 GLN A 431 5.119 17.028 3.352 1.00 0.00 H new ATOM 0 HG2 GLN A 431 4.145 16.873 5.448 1.00 0.00 H new ATOM 0 HG3 GLN A 431 4.382 18.571 5.812 1.00 0.00 H new ATOM 0 HE21 GLN A 431 1.979 17.592 6.445 1.00 0.00 H new ATOM 0 HE22 GLN A 431 0.741 18.116 5.299 1.00 0.00 H new ATOM 927 N ASP A 432 8.037 17.359 5.839 1.00 0.00 N ATOM 928 CA ASP A 432 8.826 16.270 6.407 1.00 0.00 C ATOM 929 C ASP A 432 7.933 15.096 6.793 1.00 0.00 C ATOM 930 O ASP A 432 8.316 13.935 6.641 1.00 0.00 O ATOM 931 CB ASP A 432 9.603 16.760 7.631 1.00 0.00 C ATOM 932 CG ASP A 432 10.982 17.274 7.273 1.00 0.00 C ATOM 933 OD1 ASP A 432 11.100 18.008 6.270 1.00 0.00 O ATOM 934 OD2 ASP A 432 11.946 16.942 7.996 1.00 0.00 O ATOM 0 H ASP A 432 8.147 18.253 6.317 1.00 0.00 H new ATOM 0 HA ASP A 432 9.532 15.932 5.649 1.00 0.00 H new ATOM 0 HB2 ASP A 432 9.039 17.553 8.122 1.00 0.00 H new ATOM 0 HB3 ASP A 432 9.697 15.945 8.348 1.00 0.00 H new ATOM 939 N SER A 433 6.739 15.406 7.289 1.00 0.00 N ATOM 940 CA SER A 433 5.789 14.378 7.693 1.00 0.00 C ATOM 941 C SER A 433 5.447 13.468 6.518 1.00 0.00 C ATOM 942 O SER A 433 5.572 12.246 6.608 1.00 0.00 O ATOM 943 CB SER A 433 4.514 15.019 8.244 1.00 0.00 C ATOM 944 OG SER A 433 4.761 16.341 8.693 1.00 0.00 O ATOM 0 H SER A 433 6.407 16.362 7.420 1.00 0.00 H new ATOM 0 HA SER A 433 6.251 13.777 8.476 1.00 0.00 H new ATOM 0 HB2 SER A 433 3.746 15.032 7.471 1.00 0.00 H new ATOM 0 HB3 SER A 433 4.127 14.418 9.067 1.00 0.00 H new ATOM 0 HG SER A 433 3.930 16.730 9.039 1.00 0.00 H new ATOM 950 N VAL A 434 5.019 14.072 5.414 1.00 0.00 N ATOM 951 CA VAL A 434 4.666 13.314 4.221 1.00 0.00 C ATOM 952 C VAL A 434 5.877 12.570 3.676 1.00 0.00 C ATOM 953 O VAL A 434 5.755 11.461 3.157 1.00 0.00 O ATOM 954 CB VAL A 434 4.091 14.220 3.116 1.00 0.00 C ATOM 955 CG1 VAL A 434 3.544 13.379 1.974 1.00 0.00 C ATOM 956 CG2 VAL A 434 3.012 15.135 3.675 1.00 0.00 C ATOM 0 H VAL A 434 4.909 15.082 5.322 1.00 0.00 H new ATOM 0 HA VAL A 434 3.899 12.599 4.517 1.00 0.00 H new ATOM 0 HB VAL A 434 4.896 14.845 2.730 1.00 0.00 H new ATOM 0 HG11 VAL A 434 3.141 14.033 1.201 1.00 0.00 H new ATOM 0 HG12 VAL A 434 4.345 12.771 1.554 1.00 0.00 H new ATOM 0 HG13 VAL A 434 2.753 12.729 2.347 1.00 0.00 H new ATOM 0 HG21 VAL A 434 2.620 15.766 2.877 1.00 0.00 H new ATOM 0 HG22 VAL A 434 2.204 14.533 4.091 1.00 0.00 H new ATOM 0 HG23 VAL A 434 3.437 15.763 4.458 1.00 0.00 H new ATOM 966 N ARG A 435 7.051 13.183 3.806 1.00 0.00 N ATOM 967 CA ARG A 435 8.287 12.569 3.332 1.00 0.00 C ATOM 968 C ARG A 435 8.513 11.229 4.022 1.00 0.00 C ATOM 969 O ARG A 435 8.677 10.197 3.367 1.00 0.00 O ATOM 970 CB ARG A 435 9.475 13.497 3.588 1.00 0.00 C ATOM 971 CG ARG A 435 10.584 13.366 2.557 1.00 0.00 C ATOM 972 CD ARG A 435 10.066 13.595 1.147 1.00 0.00 C ATOM 973 NE ARG A 435 9.827 12.339 0.440 1.00 0.00 N ATOM 974 CZ ARG A 435 9.724 12.242 -0.884 1.00 0.00 C ATOM 975 NH1 ARG A 435 9.835 13.321 -1.647 1.00 0.00 N ATOM 976 NH2 ARG A 435 9.509 11.059 -1.445 1.00 0.00 N ATOM 0 H ARG A 435 7.172 14.101 4.234 1.00 0.00 H new ATOM 0 HA ARG A 435 8.198 12.400 2.259 1.00 0.00 H new ATOM 0 HB2 ARG A 435 9.123 14.529 3.601 1.00 0.00 H new ATOM 0 HB3 ARG A 435 9.883 13.287 4.577 1.00 0.00 H new ATOM 0 HG2 ARG A 435 11.373 14.085 2.777 1.00 0.00 H new ATOM 0 HG3 ARG A 435 11.030 12.374 2.625 1.00 0.00 H new ATOM 0 HD2 ARG A 435 9.140 14.169 1.190 1.00 0.00 H new ATOM 0 HD3 ARG A 435 10.786 14.193 0.589 1.00 0.00 H new ATOM 0 HE ARG A 435 9.734 11.487 0.993 1.00 0.00 H new ATOM 0 HH11 ARG A 435 10.000 14.233 -1.220 1.00 0.00 H new ATOM 0 HH12 ARG A 435 9.755 13.239 -2.661 1.00 0.00 H new ATOM 0 HH21 ARG A 435 9.423 10.226 -0.862 1.00 0.00 H new ATOM 0 HH22 ARG A 435 9.430 10.982 -2.459 1.00 0.00 H new ATOM 990 N GLN A 436 8.505 11.249 5.352 1.00 0.00 N ATOM 991 CA GLN A 436 8.696 10.036 6.136 1.00 0.00 C ATOM 992 C GLN A 436 7.614 9.015 5.804 1.00 0.00 C ATOM 993 O GLN A 436 7.906 7.853 5.518 1.00 0.00 O ATOM 994 CB GLN A 436 8.672 10.358 7.631 1.00 0.00 C ATOM 995 CG GLN A 436 9.623 9.503 8.452 1.00 0.00 C ATOM 996 CD GLN A 436 11.061 9.975 8.358 1.00 0.00 C ATOM 997 OE1 GLN A 436 11.445 10.960 8.992 1.00 0.00 O ATOM 998 NE2 GLN A 436 11.864 9.275 7.566 1.00 0.00 N ATOM 0 H GLN A 436 8.368 12.093 5.908 1.00 0.00 H new ATOM 0 HA GLN A 436 9.668 9.612 5.885 1.00 0.00 H new ATOM 0 HB2 GLN A 436 8.927 11.408 7.772 1.00 0.00 H new ATOM 0 HB3 GLN A 436 7.658 10.223 8.007 1.00 0.00 H new ATOM 0 HG2 GLN A 436 9.308 9.515 9.495 1.00 0.00 H new ATOM 0 HG3 GLN A 436 9.561 8.469 8.113 1.00 0.00 H new ATOM 0 HE21 GLN A 436 11.503 8.466 7.060 1.00 0.00 H new ATOM 0 HE22 GLN A 436 12.842 9.546 7.463 1.00 0.00 H new ATOM 1007 N ALA A 437 6.362 9.461 5.832 1.00 0.00 N ATOM 1008 CA ALA A 437 5.236 8.590 5.522 1.00 0.00 C ATOM 1009 C ALA A 437 5.342 8.068 4.094 1.00 0.00 C ATOM 1010 O ALA A 437 4.911 6.955 3.793 1.00 0.00 O ATOM 1011 CB ALA A 437 3.921 9.328 5.721 1.00 0.00 C ATOM 0 H ALA A 437 6.103 10.419 6.066 1.00 0.00 H new ATOM 0 HA ALA A 437 5.261 7.740 6.203 1.00 0.00 H new ATOM 0 HB1 ALA A 437 3.091 8.662 5.485 1.00 0.00 H new ATOM 0 HB2 ALA A 437 3.840 9.655 6.758 1.00 0.00 H new ATOM 0 HB3 ALA A 437 3.888 10.196 5.063 1.00 0.00 H new ATOM 1017 N ARG A 438 5.927 8.881 3.218 1.00 0.00 N ATOM 1018 CA ARG A 438 6.099 8.503 1.821 1.00 0.00 C ATOM 1019 C ARG A 438 7.030 7.301 1.705 1.00 0.00 C ATOM 1020 O ARG A 438 6.642 6.253 1.189 1.00 0.00 O ATOM 1021 CB ARG A 438 6.654 9.680 1.015 1.00 0.00 C ATOM 1022 CG ARG A 438 5.598 10.408 0.199 1.00 0.00 C ATOM 1023 CD ARG A 438 6.194 11.035 -1.051 1.00 0.00 C ATOM 1024 NE ARG A 438 6.116 10.140 -2.203 1.00 0.00 N ATOM 1025 CZ ARG A 438 6.228 10.545 -3.466 1.00 0.00 C ATOM 1026 NH1 ARG A 438 6.426 11.827 -3.743 1.00 0.00 N ATOM 1027 NH2 ARG A 438 6.144 9.664 -4.455 1.00 0.00 N ATOM 0 H ARG A 438 6.289 9.805 3.452 1.00 0.00 H new ATOM 0 HA ARG A 438 5.125 8.230 1.416 1.00 0.00 H new ATOM 0 HB2 ARG A 438 7.126 10.387 1.697 1.00 0.00 H new ATOM 0 HB3 ARG A 438 7.433 9.316 0.345 1.00 0.00 H new ATOM 0 HG2 ARG A 438 4.810 9.710 -0.083 1.00 0.00 H new ATOM 0 HG3 ARG A 438 5.134 11.182 0.810 1.00 0.00 H new ATOM 0 HD2 ARG A 438 5.669 11.963 -1.277 1.00 0.00 H new ATOM 0 HD3 ARG A 438 7.236 11.296 -0.864 1.00 0.00 H new ATOM 0 HE ARG A 438 5.967 9.146 -2.029 1.00 0.00 H new ATOM 0 HH11 ARG A 438 6.493 12.508 -2.986 1.00 0.00 H new ATOM 0 HH12 ARG A 438 6.511 12.132 -4.713 1.00 0.00 H new ATOM 0 HH21 ARG A 438 5.994 8.677 -4.247 1.00 0.00 H new ATOM 0 HH22 ARG A 438 6.230 9.974 -5.423 1.00 0.00 H new ATOM 1041 N LYS A 439 8.257 7.457 2.197 1.00 0.00 N ATOM 1042 CA LYS A 439 9.239 6.378 2.156 1.00 0.00 C ATOM 1043 C LYS A 439 8.702 5.143 2.871 1.00 0.00 C ATOM 1044 O LYS A 439 8.925 4.010 2.436 1.00 0.00 O ATOM 1045 CB LYS A 439 10.552 6.827 2.798 1.00 0.00 C ATOM 1046 CG LYS A 439 11.176 8.040 2.125 1.00 0.00 C ATOM 1047 CD LYS A 439 12.695 7.974 2.155 1.00 0.00 C ATOM 1048 CE LYS A 439 13.249 7.365 0.878 1.00 0.00 C ATOM 1049 NZ LYS A 439 13.542 5.913 1.036 1.00 0.00 N ATOM 0 H LYS A 439 8.594 8.318 2.628 1.00 0.00 H new ATOM 0 HA LYS A 439 9.428 6.124 1.113 1.00 0.00 H new ATOM 0 HB2 LYS A 439 10.373 7.057 3.848 1.00 0.00 H new ATOM 0 HB3 LYS A 439 11.262 6.001 2.769 1.00 0.00 H new ATOM 0 HG2 LYS A 439 10.834 8.100 1.092 1.00 0.00 H new ATOM 0 HG3 LYS A 439 10.840 8.948 2.626 1.00 0.00 H new ATOM 0 HD2 LYS A 439 13.102 8.977 2.288 1.00 0.00 H new ATOM 0 HD3 LYS A 439 13.018 7.383 3.012 1.00 0.00 H new ATOM 0 HE2 LYS A 439 12.532 7.505 0.069 1.00 0.00 H new ATOM 0 HE3 LYS A 439 14.160 7.890 0.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 439 13.981 5.551 0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 439 14.193 5.775 1.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 439 12.657 5.398 1.218 1.00 0.00 H new ATOM 1063 N GLU A 440 7.978 5.367 3.963 1.00 0.00 N ATOM 1064 CA GLU A 440 7.396 4.272 4.725 1.00 0.00 C ATOM 1065 C GLU A 440 6.348 3.551 3.888 1.00 0.00 C ATOM 1066 O GLU A 440 6.262 2.323 3.899 1.00 0.00 O ATOM 1067 CB GLU A 440 6.766 4.796 6.018 1.00 0.00 C ATOM 1068 CG GLU A 440 6.142 3.707 6.875 1.00 0.00 C ATOM 1069 CD GLU A 440 7.179 2.856 7.581 1.00 0.00 C ATOM 1070 OE1 GLU A 440 8.341 2.834 7.124 1.00 0.00 O ATOM 1071 OE2 GLU A 440 6.828 2.211 8.592 1.00 0.00 O ATOM 0 H GLU A 440 7.782 6.295 4.338 1.00 0.00 H new ATOM 0 HA GLU A 440 8.188 3.569 4.984 1.00 0.00 H new ATOM 0 HB2 GLU A 440 7.529 5.313 6.600 1.00 0.00 H new ATOM 0 HB3 GLU A 440 6.002 5.532 5.768 1.00 0.00 H new ATOM 0 HG2 GLU A 440 5.486 4.164 7.616 1.00 0.00 H new ATOM 0 HG3 GLU A 440 5.519 3.069 6.248 1.00 0.00 H new ATOM 1078 N ALA A 441 5.557 4.328 3.151 1.00 0.00 N ATOM 1079 CA ALA A 441 4.519 3.772 2.295 1.00 0.00 C ATOM 1080 C ALA A 441 5.133 2.995 1.138 1.00 0.00 C ATOM 1081 O ALA A 441 4.833 1.818 0.939 1.00 0.00 O ATOM 1082 CB ALA A 441 3.616 4.878 1.773 1.00 0.00 C ATOM 0 H ALA A 441 5.618 5.346 3.132 1.00 0.00 H new ATOM 0 HA ALA A 441 3.918 3.082 2.888 1.00 0.00 H new ATOM 0 HB1 ALA A 441 2.845 4.447 1.134 1.00 0.00 H new ATOM 0 HB2 ALA A 441 3.147 5.391 2.612 1.00 0.00 H new ATOM 0 HB3 ALA A 441 4.208 5.590 1.197 1.00 0.00 H new ATOM 1088 N VAL A 442 6.003 3.659 0.380 1.00 0.00 N ATOM 1089 CA VAL A 442 6.671 3.029 -0.755 1.00 0.00 C ATOM 1090 C VAL A 442 7.295 1.698 -0.348 1.00 0.00 C ATOM 1091 O VAL A 442 7.128 0.686 -1.031 1.00 0.00 O ATOM 1092 CB VAL A 442 7.764 3.941 -1.344 1.00 0.00 C ATOM 1093 CG1 VAL A 442 7.144 5.132 -2.059 1.00 0.00 C ATOM 1094 CG2 VAL A 442 8.712 4.400 -0.257 1.00 0.00 C ATOM 0 H VAL A 442 6.262 4.634 0.532 1.00 0.00 H new ATOM 0 HA VAL A 442 5.911 2.855 -1.516 1.00 0.00 H new ATOM 0 HB VAL A 442 8.333 3.368 -2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 442 7.934 5.763 -2.467 1.00 0.00 H new ATOM 0 HG12 VAL A 442 6.507 4.778 -2.869 1.00 0.00 H new ATOM 0 HG13 VAL A 442 6.547 5.709 -1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 442 9.478 5.043 -0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 442 8.157 4.955 0.499 1.00 0.00 H new ATOM 0 HG23 VAL A 442 9.185 3.533 0.204 1.00 0.00 H new ATOM 1104 N CYS A 443 8.002 1.703 0.777 1.00 0.00 N ATOM 1105 CA CYS A 443 8.636 0.492 1.279 1.00 0.00 C ATOM 1106 C CYS A 443 7.580 -0.545 1.646 1.00 0.00 C ATOM 1107 O CYS A 443 7.717 -1.726 1.333 1.00 0.00 O ATOM 1108 CB CYS A 443 9.504 0.809 2.498 1.00 0.00 C ATOM 1109 SG CYS A 443 11.211 1.251 2.096 1.00 0.00 S ATOM 0 H CYS A 443 8.149 2.530 1.356 1.00 0.00 H new ATOM 0 HA CYS A 443 9.272 0.085 0.493 1.00 0.00 H new ATOM 0 HB2 CYS A 443 9.048 1.630 3.051 1.00 0.00 H new ATOM 0 HB3 CYS A 443 9.511 -0.057 3.160 1.00 0.00 H new ATOM 0 HG CYS A 443 11.863 1.503 3.192 1.00 0.00 H new ATOM 1115 N LYS A 444 6.522 -0.085 2.310 1.00 0.00 N ATOM 1116 CA LYS A 444 5.432 -0.959 2.722 1.00 0.00 C ATOM 1117 C LYS A 444 4.731 -1.566 1.513 1.00 0.00 C ATOM 1118 O LYS A 444 4.611 -2.785 1.407 1.00 0.00 O ATOM 1119 CB LYS A 444 4.424 -0.182 3.572 1.00 0.00 C ATOM 1120 CG LYS A 444 3.607 -1.063 4.504 1.00 0.00 C ATOM 1121 CD LYS A 444 2.876 -0.238 5.553 1.00 0.00 C ATOM 1122 CE LYS A 444 2.999 -0.856 6.938 1.00 0.00 C ATOM 1123 NZ LYS A 444 3.774 0.012 7.866 1.00 0.00 N ATOM 0 H LYS A 444 6.399 0.892 2.574 1.00 0.00 H new ATOM 0 HA LYS A 444 5.855 -1.769 3.317 1.00 0.00 H new ATOM 0 HB2 LYS A 444 4.957 0.562 4.164 1.00 0.00 H new ATOM 0 HB3 LYS A 444 3.747 0.361 2.912 1.00 0.00 H new ATOM 0 HG2 LYS A 444 2.885 -1.637 3.923 1.00 0.00 H new ATOM 0 HG3 LYS A 444 4.263 -1.781 4.996 1.00 0.00 H new ATOM 0 HD2 LYS A 444 3.281 0.774 5.568 1.00 0.00 H new ATOM 0 HD3 LYS A 444 1.823 -0.156 5.283 1.00 0.00 H new ATOM 0 HE2 LYS A 444 2.004 -1.029 7.348 1.00 0.00 H new ATOM 0 HE3 LYS A 444 3.485 -1.829 6.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 444 3.835 -0.444 8.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 444 4.732 0.156 7.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 444 3.297 0.931 7.961 1.00 0.00 H new ATOM 1137 N ILE A 445 4.269 -0.713 0.598 1.00 0.00 N ATOM 1138 CA ILE A 445 3.585 -1.186 -0.601 1.00 0.00 C ATOM 1139 C ILE A 445 4.445 -2.198 -1.349 1.00 0.00 C ATOM 1140 O ILE A 445 3.962 -3.249 -1.772 1.00 0.00 O ATOM 1141 CB ILE A 445 3.209 -0.027 -1.548 1.00 0.00 C ATOM 1142 CG1 ILE A 445 4.459 0.719 -2.017 1.00 0.00 C ATOM 1143 CG2 ILE A 445 2.247 0.927 -0.855 1.00 0.00 C ATOM 1144 CD1 ILE A 445 4.157 1.871 -2.952 1.00 0.00 C ATOM 0 H ILE A 445 4.356 0.301 0.665 1.00 0.00 H new ATOM 0 HA ILE A 445 2.664 -1.666 -0.271 1.00 0.00 H new ATOM 0 HB ILE A 445 2.716 -0.445 -2.425 1.00 0.00 H new ATOM 0 HG12 ILE A 445 4.995 1.098 -1.147 1.00 0.00 H new ATOM 0 HG13 ILE A 445 5.124 0.017 -2.520 1.00 0.00 H new ATOM 0 HG21 ILE A 445 1.989 1.740 -1.533 1.00 0.00 H new ATOM 0 HG22 ILE A 445 1.342 0.389 -0.573 1.00 0.00 H new ATOM 0 HG23 ILE A 445 2.720 1.336 0.038 1.00 0.00 H new ATOM 0 HD11 ILE A 445 5.088 2.355 -3.245 1.00 0.00 H new ATOM 0 HD12 ILE A 445 3.648 1.495 -3.840 1.00 0.00 H new ATOM 0 HD13 ILE A 445 3.517 2.593 -2.445 1.00 0.00 H new ATOM 1156 N GLN A 446 5.729 -1.886 -1.489 1.00 0.00 N ATOM 1157 CA GLN A 446 6.658 -2.782 -2.163 1.00 0.00 C ATOM 1158 C GLN A 446 6.919 -4.003 -1.288 1.00 0.00 C ATOM 1159 O GLN A 446 7.161 -5.102 -1.786 1.00 0.00 O ATOM 1160 CB GLN A 446 7.972 -2.063 -2.469 1.00 0.00 C ATOM 1161 CG GLN A 446 7.997 -1.398 -3.835 1.00 0.00 C ATOM 1162 CD GLN A 446 8.758 -0.086 -3.832 1.00 0.00 C ATOM 1163 OE1 GLN A 446 8.218 0.956 -3.463 1.00 0.00 O ATOM 1164 NE2 GLN A 446 10.020 -0.134 -4.243 1.00 0.00 N ATOM 0 H GLN A 446 6.148 -1.022 -1.145 1.00 0.00 H new ATOM 0 HA GLN A 446 6.215 -3.103 -3.106 1.00 0.00 H new ATOM 0 HB2 GLN A 446 8.150 -1.308 -1.703 1.00 0.00 H new ATOM 0 HB3 GLN A 446 8.791 -2.779 -2.408 1.00 0.00 H new ATOM 0 HG2 GLN A 446 8.452 -2.076 -4.557 1.00 0.00 H new ATOM 0 HG3 GLN A 446 6.974 -1.220 -4.167 1.00 0.00 H new ATOM 0 HE21 GLN A 446 10.426 -1.021 -4.540 1.00 0.00 H new ATOM 0 HE22 GLN A 446 10.583 0.716 -4.262 1.00 0.00 H new ATOM 1173 N ALA A 447 6.855 -3.795 0.025 1.00 0.00 N ATOM 1174 CA ALA A 447 7.070 -4.865 0.988 1.00 0.00 C ATOM 1175 C ALA A 447 5.913 -5.859 0.959 1.00 0.00 C ATOM 1176 O ALA A 447 6.120 -7.073 0.944 1.00 0.00 O ATOM 1177 CB ALA A 447 7.236 -4.283 2.385 1.00 0.00 C ATOM 0 H ALA A 447 6.654 -2.888 0.446 1.00 0.00 H new ATOM 0 HA ALA A 447 7.981 -5.398 0.717 1.00 0.00 H new ATOM 0 HB1 ALA A 447 7.396 -5.091 3.099 1.00 0.00 H new ATOM 0 HB2 ALA A 447 8.094 -3.610 2.399 1.00 0.00 H new ATOM 0 HB3 ALA A 447 6.337 -3.731 2.658 1.00 0.00 H new ATOM 1183 N ILE A 448 4.693 -5.331 0.947 1.00 0.00 N ATOM 1184 CA ILE A 448 3.496 -6.162 0.915 1.00 0.00 C ATOM 1185 C ILE A 448 3.376 -6.893 -0.418 1.00 0.00 C ATOM 1186 O ILE A 448 3.042 -8.076 -0.460 1.00 0.00 O ATOM 1187 CB ILE A 448 2.222 -5.323 1.156 1.00 0.00 C ATOM 1188 CG1 ILE A 448 0.979 -6.216 1.150 1.00 0.00 C ATOM 1189 CG2 ILE A 448 2.095 -4.228 0.109 1.00 0.00 C ATOM 1190 CD1 ILE A 448 -0.307 -5.459 1.401 1.00 0.00 C ATOM 0 H ILE A 448 4.508 -4.328 0.959 1.00 0.00 H new ATOM 0 HA ILE A 448 3.591 -6.893 1.718 1.00 0.00 H new ATOM 0 HB ILE A 448 2.304 -4.853 2.136 1.00 0.00 H new ATOM 0 HG12 ILE A 448 0.911 -6.724 0.188 1.00 0.00 H new ATOM 0 HG13 ILE A 448 1.092 -6.988 1.911 1.00 0.00 H new ATOM 0 HG21 ILE A 448 1.191 -3.648 0.296 1.00 0.00 H new ATOM 0 HG22 ILE A 448 2.964 -3.572 0.161 1.00 0.00 H new ATOM 0 HG23 ILE A 448 2.039 -4.677 -0.882 1.00 0.00 H new ATOM 0 HD11 ILE A 448 -1.147 -6.153 1.383 1.00 0.00 H new ATOM 0 HD12 ILE A 448 -0.259 -4.973 2.375 1.00 0.00 H new ATOM 0 HD13 ILE A 448 -0.443 -4.705 0.626 1.00 0.00 H new ATOM 1202 N LEU A 449 3.654 -6.181 -1.507 1.00 0.00 N ATOM 1203 CA LEU A 449 3.578 -6.769 -2.838 1.00 0.00 C ATOM 1204 C LEU A 449 4.607 -7.884 -2.995 1.00 0.00 C ATOM 1205 O LEU A 449 4.284 -8.980 -3.451 1.00 0.00 O ATOM 1206 CB LEU A 449 3.796 -5.697 -3.909 1.00 0.00 C ATOM 1207 CG LEU A 449 2.817 -5.752 -5.081 1.00 0.00 C ATOM 1208 CD1 LEU A 449 1.540 -5.001 -4.744 1.00 0.00 C ATOM 1209 CD2 LEU A 449 3.459 -5.181 -6.338 1.00 0.00 C ATOM 0 H LEU A 449 3.933 -5.200 -1.493 1.00 0.00 H new ATOM 0 HA LEU A 449 2.583 -7.196 -2.965 1.00 0.00 H new ATOM 0 HB2 LEU A 449 3.725 -4.716 -3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 449 4.810 -5.792 -4.297 1.00 0.00 H new ATOM 0 HG LEU A 449 2.562 -6.795 -5.269 1.00 0.00 H new ATOM 0 HD11 LEU A 449 0.855 -5.051 -5.590 1.00 0.00 H new ATOM 0 HD12 LEU A 449 1.071 -5.454 -3.870 1.00 0.00 H new ATOM 0 HD13 LEU A 449 1.777 -3.959 -4.530 1.00 0.00 H new ATOM 0 HD21 LEU A 449 2.748 -5.228 -7.163 1.00 0.00 H new ATOM 0 HD22 LEU A 449 3.743 -4.143 -6.162 1.00 0.00 H new ATOM 0 HD23 LEU A 449 4.346 -5.762 -6.590 1.00 0.00 H new ATOM 1221 N GLU A 450 5.847 -7.597 -2.609 1.00 0.00 N ATOM 1222 CA GLU A 450 6.921 -8.579 -2.703 1.00 0.00 C ATOM 1223 C GLU A 450 6.600 -9.809 -1.861 1.00 0.00 C ATOM 1224 O GLU A 450 6.710 -10.942 -2.329 1.00 0.00 O ATOM 1225 CB GLU A 450 8.245 -7.964 -2.249 1.00 0.00 C ATOM 1226 CG GLU A 450 9.466 -8.614 -2.878 1.00 0.00 C ATOM 1227 CD GLU A 450 10.062 -7.779 -3.995 1.00 0.00 C ATOM 1228 OE1 GLU A 450 10.638 -6.711 -3.694 1.00 0.00 O ATOM 1229 OE2 GLU A 450 9.951 -8.191 -5.167 1.00 0.00 O ATOM 0 H GLU A 450 6.132 -6.694 -2.229 1.00 0.00 H new ATOM 0 HA GLU A 450 7.013 -8.886 -3.745 1.00 0.00 H new ATOM 0 HB2 GLU A 450 8.244 -6.901 -2.491 1.00 0.00 H new ATOM 0 HB3 GLU A 450 8.320 -8.043 -1.164 1.00 0.00 H new ATOM 0 HG2 GLU A 450 10.222 -8.778 -2.110 1.00 0.00 H new ATOM 0 HG3 GLU A 450 9.191 -9.593 -3.269 1.00 0.00 H new ATOM 1236 N LYS A 451 6.197 -9.578 -0.615 1.00 0.00 N ATOM 1237 CA LYS A 451 5.854 -10.666 0.292 1.00 0.00 C ATOM 1238 C LYS A 451 4.708 -11.497 -0.274 1.00 0.00 C ATOM 1239 O LYS A 451 4.691 -12.721 -0.140 1.00 0.00 O ATOM 1240 CB LYS A 451 5.470 -10.112 1.667 1.00 0.00 C ATOM 1241 CG LYS A 451 6.635 -10.036 2.639 1.00 0.00 C ATOM 1242 CD LYS A 451 6.157 -10.025 4.082 1.00 0.00 C ATOM 1243 CE LYS A 451 7.177 -9.371 5.000 1.00 0.00 C ATOM 1244 NZ LYS A 451 6.787 -9.485 6.433 1.00 0.00 N ATOM 0 H LYS A 451 6.100 -8.646 -0.211 1.00 0.00 H new ATOM 0 HA LYS A 451 6.728 -11.308 0.401 1.00 0.00 H new ATOM 0 HB2 LYS A 451 5.046 -9.116 1.542 1.00 0.00 H new ATOM 0 HB3 LYS A 451 4.689 -10.739 2.097 1.00 0.00 H new ATOM 0 HG2 LYS A 451 7.298 -10.886 2.481 1.00 0.00 H new ATOM 0 HG3 LYS A 451 7.218 -9.136 2.441 1.00 0.00 H new ATOM 0 HD2 LYS A 451 5.210 -9.490 4.149 1.00 0.00 H new ATOM 0 HD3 LYS A 451 5.970 -11.047 4.413 1.00 0.00 H new ATOM 0 HE2 LYS A 451 8.151 -9.837 4.851 1.00 0.00 H new ATOM 0 HE3 LYS A 451 7.282 -8.319 4.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 451 7.508 -9.027 7.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 451 5.869 -9.019 6.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 451 6.711 -10.489 6.693 1.00 0.00 H new ATOM 1258 N LEU A 452 3.755 -10.823 -0.909 1.00 0.00 N ATOM 1259 CA LEU A 452 2.606 -11.500 -1.499 1.00 0.00 C ATOM 1260 C LEU A 452 3.045 -12.434 -2.622 1.00 0.00 C ATOM 1261 O LEU A 452 2.654 -13.601 -2.660 1.00 0.00 O ATOM 1262 CB LEU A 452 1.603 -10.473 -2.034 1.00 0.00 C ATOM 1263 CG LEU A 452 0.209 -10.539 -1.402 1.00 0.00 C ATOM 1264 CD1 LEU A 452 -0.218 -9.170 -0.895 1.00 0.00 C ATOM 1265 CD2 LEU A 452 -0.809 -11.083 -2.397 1.00 0.00 C ATOM 0 H LEU A 452 3.755 -9.810 -1.028 1.00 0.00 H new ATOM 0 HA LEU A 452 2.126 -12.096 -0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 452 2.010 -9.474 -1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 452 1.504 -10.611 -3.111 1.00 0.00 H new ATOM 0 HG LEU A 452 0.254 -11.220 -0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 452 -1.211 -9.240 -0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 452 0.492 -8.822 -0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 452 -0.242 -8.465 -1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 452 -1.792 -11.121 -1.928 1.00 0.00 H new ATOM 0 HD22 LEU A 452 -0.849 -10.431 -3.270 1.00 0.00 H new ATOM 0 HD23 LEU A 452 -0.515 -12.086 -2.706 1.00 0.00 H new ATOM 1277 N GLU A 453 3.862 -11.914 -3.530 1.00 0.00 N ATOM 1278 CA GLU A 453 4.357 -12.704 -4.654 1.00 0.00 C ATOM 1279 C GLU A 453 5.157 -13.905 -4.161 1.00 0.00 C ATOM 1280 O GLU A 453 5.034 -15.007 -4.697 1.00 0.00 O ATOM 1281 CB GLU A 453 5.228 -11.838 -5.567 1.00 0.00 C ATOM 1282 CG GLU A 453 5.142 -12.228 -7.035 1.00 0.00 C ATOM 1283 CD GLU A 453 6.256 -11.620 -7.864 1.00 0.00 C ATOM 1284 OE1 GLU A 453 6.672 -10.484 -7.560 1.00 0.00 O ATOM 1285 OE2 GLU A 453 6.713 -12.284 -8.820 1.00 0.00 O ATOM 0 H GLU A 453 4.196 -10.950 -3.511 1.00 0.00 H new ATOM 0 HA GLU A 453 3.498 -13.067 -5.219 1.00 0.00 H new ATOM 0 HB2 GLU A 453 4.930 -10.795 -5.458 1.00 0.00 H new ATOM 0 HB3 GLU A 453 6.266 -11.909 -5.240 1.00 0.00 H new ATOM 0 HG2 GLU A 453 5.180 -13.314 -7.122 1.00 0.00 H new ATOM 0 HG3 GLU A 453 4.180 -11.910 -7.436 1.00 0.00 H new ATOM 1292 N LYS A 454 5.971 -13.688 -3.134 1.00 0.00 N ATOM 1293 CA LYS A 454 6.789 -14.754 -2.568 1.00 0.00 C ATOM 1294 C LYS A 454 5.919 -15.799 -1.878 1.00 0.00 C ATOM 1295 O LYS A 454 6.145 -17.000 -2.019 1.00 0.00 O ATOM 1296 CB LYS A 454 7.799 -14.178 -1.575 1.00 0.00 C ATOM 1297 CG LYS A 454 8.964 -15.111 -1.282 1.00 0.00 C ATOM 1298 CD LYS A 454 9.388 -15.033 0.176 1.00 0.00 C ATOM 1299 CE LYS A 454 10.898 -15.134 0.323 1.00 0.00 C ATOM 1300 NZ LYS A 454 11.312 -15.245 1.749 1.00 0.00 N ATOM 0 H LYS A 454 6.082 -12.783 -2.676 1.00 0.00 H new ATOM 0 HA LYS A 454 7.327 -15.237 -3.384 1.00 0.00 H new ATOM 0 HB2 LYS A 454 8.187 -13.238 -1.968 1.00 0.00 H new ATOM 0 HB3 LYS A 454 7.286 -13.946 -0.641 1.00 0.00 H new ATOM 0 HG2 LYS A 454 8.681 -16.135 -1.525 1.00 0.00 H new ATOM 0 HG3 LYS A 454 9.808 -14.853 -1.922 1.00 0.00 H new ATOM 0 HD2 LYS A 454 9.041 -14.094 0.607 1.00 0.00 H new ATOM 0 HD3 LYS A 454 8.912 -15.837 0.738 1.00 0.00 H new ATOM 0 HE2 LYS A 454 11.259 -16.002 -0.228 1.00 0.00 H new ATOM 0 HE3 LYS A 454 11.366 -14.256 -0.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 454 12.348 -15.312 1.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 454 10.990 -14.405 2.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 454 10.887 -16.096 2.169 1.00 0.00 H new ATOM 1314 N LYS A 455 4.921 -15.332 -1.134 1.00 0.00 N ATOM 1315 CA LYS A 455 4.015 -16.226 -0.422 1.00 0.00 C ATOM 1316 C LYS A 455 3.055 -16.912 -1.389 1.00 0.00 C ATOM 1317 O LYS A 455 2.685 -18.069 -1.198 1.00 0.00 O ATOM 1318 CB LYS A 455 3.227 -15.452 0.636 1.00 0.00 C ATOM 1319 CG LYS A 455 3.107 -16.184 1.963 1.00 0.00 C ATOM 1320 CD LYS A 455 2.049 -17.273 1.906 1.00 0.00 C ATOM 1321 CE LYS A 455 2.276 -18.328 2.975 1.00 0.00 C ATOM 1322 NZ LYS A 455 3.684 -18.811 2.990 1.00 0.00 N ATOM 0 H LYS A 455 4.719 -14.340 -1.009 1.00 0.00 H new ATOM 0 HA LYS A 455 4.614 -16.992 0.071 1.00 0.00 H new ATOM 0 HB2 LYS A 455 3.710 -14.489 0.804 1.00 0.00 H new ATOM 0 HB3 LYS A 455 2.228 -15.245 0.253 1.00 0.00 H new ATOM 0 HG2 LYS A 455 4.069 -16.624 2.225 1.00 0.00 H new ATOM 0 HG3 LYS A 455 2.856 -15.473 2.750 1.00 0.00 H new ATOM 0 HD2 LYS A 455 1.062 -16.829 2.035 1.00 0.00 H new ATOM 0 HD3 LYS A 455 2.061 -17.742 0.922 1.00 0.00 H new ATOM 0 HE2 LYS A 455 2.024 -17.915 3.952 1.00 0.00 H new ATOM 0 HE3 LYS A 455 1.606 -19.170 2.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 3.704 -19.814 3.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 4.098 -18.702 2.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 4.235 -18.254 3.675 1.00 0.00 H new ATOM 1336 N GLY A 456 2.656 -16.187 -2.429 1.00 0.00 N ATOM 1337 CA GLY A 456 1.743 -16.741 -3.413 1.00 0.00 C ATOM 1338 C GLY A 456 2.466 -17.454 -4.539 1.00 0.00 C ATOM 1339 O GLY A 456 3.592 -17.034 -4.881 1.00 0.00 O ATOM 1340 OXT GLY A 456 1.906 -18.432 -5.078 1.00 0.00 O ATOM 0 H GLY A 456 2.948 -15.226 -2.608 1.00 0.00 H new ATOM 0 HA2 GLY A 456 1.064 -17.439 -2.922 1.00 0.00 H new ATOM 0 HA3 GLY A 456 1.131 -15.940 -3.828 1.00 0.00 H new