USER MOD reduce.3.24.130724 H: found=0, std=0, add=286, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 287 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 Single : A 293 SER OG : rot 180:sc= 0 USER MOD Single : A 294 GLN : amide:sc= -1.58 K(o=-1.6,f=-0.29) USER MOD Single : A 306 GLN : amide:sc= -1.46 K(o=-1.5,f=-8.6!) USER MOD Single : A 307 TYR OH : rot 130:sc= 0 USER MOD Single : A 310 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 320 THR OG1 : rot -26:sc= 0.424 USER MOD Single : A 323 ASN : amide:sc= -0.39 X(o=-0.39,f=0) USER MOD Single : A 325 THR OG1 : rot 180:sc= 0 USER MOD Single : A 329 LYS NZ :NH3+ -120:sc= -0.0794 (180deg=-0.759) USER MOD Single : A 334 GLN : amide:sc= -3.44! C(o=-3.4!,f=-12!) USER MOD Single : A 336 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 337 HIS : no HD1:sc=-0.00535 X(o=-0.0053,f=-0.0014) USER MOD Single : A 339 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 133 N PRO A 287 10.957 1.792 -1.056 1.00 0.00 N ATOM 134 CA PRO A 287 10.231 0.665 -0.419 1.00 0.00 C ATOM 135 C PRO A 287 10.472 -0.637 -1.191 1.00 0.00 C ATOM 136 O PRO A 287 10.541 -0.646 -2.403 1.00 0.00 O ATOM 137 CB PRO A 287 8.767 1.085 -0.517 1.00 0.00 C ATOM 138 CG PRO A 287 8.713 2.026 -1.679 1.00 0.00 C ATOM 139 CD PRO A 287 10.052 2.712 -1.753 1.00 0.00 C ATOM 0 HA PRO A 287 10.552 0.475 0.605 1.00 0.00 H new ATOM 0 HB2 PRO A 287 8.119 0.223 -0.676 1.00 0.00 H new ATOM 0 HB3 PRO A 287 8.433 1.570 0.400 1.00 0.00 H new ATOM 0 HG2 PRO A 287 8.505 1.486 -2.603 1.00 0.00 H new ATOM 0 HG3 PRO A 287 7.913 2.755 -1.548 1.00 0.00 H new ATOM 0 HD2 PRO A 287 10.362 2.873 -2.785 1.00 0.00 H new ATOM 0 HD3 PRO A 287 10.027 3.690 -1.272 1.00 0.00 H new ATOM 147 N GLU A 288 10.594 -1.735 -0.496 1.00 0.00 N ATOM 148 CA GLU A 288 10.823 -3.037 -1.190 1.00 0.00 C ATOM 149 C GLU A 288 9.491 -3.616 -1.673 1.00 0.00 C ATOM 150 O GLU A 288 9.358 -4.044 -2.802 1.00 0.00 O ATOM 151 CB GLU A 288 11.447 -3.947 -0.131 1.00 0.00 C ATOM 152 CG GLU A 288 12.908 -3.553 0.085 1.00 0.00 C ATOM 153 CD GLU A 288 13.816 -4.538 -0.653 1.00 0.00 C ATOM 154 OE1 GLU A 288 13.346 -5.157 -1.593 1.00 0.00 O ATOM 155 OE2 GLU A 288 14.967 -4.656 -0.265 1.00 0.00 O ATOM 0 H GLU A 288 10.545 -1.788 0.521 1.00 0.00 H new ATOM 0 HA GLU A 288 11.463 -2.932 -2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 288 10.895 -3.864 0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 288 11.383 -4.988 -0.448 1.00 0.00 H new ATOM 0 HG2 GLU A 288 13.080 -2.540 -0.279 1.00 0.00 H new ATOM 0 HG3 GLU A 288 13.142 -3.553 1.150 1.00 0.00 H new ATOM 162 N ARG A 289 8.505 -3.636 -0.819 1.00 0.00 N ATOM 163 CA ARG A 289 7.179 -4.190 -1.217 1.00 0.00 C ATOM 164 C ARG A 289 6.212 -4.122 -0.031 1.00 0.00 C ATOM 165 O ARG A 289 6.577 -3.709 1.052 1.00 0.00 O ATOM 166 CB ARG A 289 7.450 -5.645 -1.619 1.00 0.00 C ATOM 167 CG ARG A 289 8.439 -6.288 -0.640 1.00 0.00 C ATOM 168 CD ARG A 289 8.907 -7.635 -1.199 1.00 0.00 C ATOM 169 NE ARG A 289 10.395 -7.560 -1.196 1.00 0.00 N ATOM 170 CZ ARG A 289 11.054 -7.600 -2.323 1.00 0.00 C ATOM 171 NH1 ARG A 289 10.931 -6.627 -3.186 1.00 0.00 N ATOM 172 NH2 ARG A 289 11.837 -8.611 -2.588 1.00 0.00 N ATOM 0 H ARG A 289 8.560 -3.292 0.140 1.00 0.00 H new ATOM 0 HA ARG A 289 6.723 -3.631 -2.034 1.00 0.00 H new ATOM 0 HB2 ARG A 289 6.517 -6.208 -1.627 1.00 0.00 H new ATOM 0 HB3 ARG A 289 7.853 -5.682 -2.631 1.00 0.00 H new ATOM 0 HG2 ARG A 289 9.294 -5.630 -0.485 1.00 0.00 H new ATOM 0 HG3 ARG A 289 7.965 -6.430 0.331 1.00 0.00 H new ATOM 0 HD2 ARG A 289 8.553 -8.462 -0.584 1.00 0.00 H new ATOM 0 HD3 ARG A 289 8.522 -7.799 -2.206 1.00 0.00 H new ATOM 0 HE ARG A 289 10.899 -7.477 -0.313 1.00 0.00 H new ATOM 0 HH11 ARG A 289 10.320 -5.836 -2.980 1.00 0.00 H new ATOM 0 HH12 ARG A 289 11.446 -6.658 -4.066 1.00 0.00 H new ATOM 0 HH21 ARG A 289 11.935 -9.371 -1.914 1.00 0.00 H new ATOM 0 HH22 ARG A 289 12.351 -8.641 -3.469 1.00 0.00 H new ATOM 186 N ILE A 290 4.982 -4.516 -0.223 1.00 0.00 N ATOM 187 CA ILE A 290 4.006 -4.460 0.906 1.00 0.00 C ATOM 188 C ILE A 290 3.898 -5.824 1.590 1.00 0.00 C ATOM 189 O ILE A 290 4.016 -6.857 0.963 1.00 0.00 O ATOM 190 CB ILE A 290 2.656 -4.099 0.281 1.00 0.00 C ATOM 191 CG1 ILE A 290 2.840 -3.080 -0.849 1.00 0.00 C ATOM 192 CG2 ILE A 290 1.750 -3.499 1.358 1.00 0.00 C ATOM 193 CD1 ILE A 290 3.351 -1.765 -0.274 1.00 0.00 C ATOM 0 H ILE A 290 4.612 -4.872 -1.104 1.00 0.00 H new ATOM 0 HA ILE A 290 4.319 -3.734 1.657 1.00 0.00 H new ATOM 0 HB ILE A 290 2.205 -5.002 -0.131 1.00 0.00 H new ATOM 0 HG12 ILE A 290 3.544 -3.464 -1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 290 1.893 -2.919 -1.365 1.00 0.00 H new ATOM 0 HG21 ILE A 290 0.786 -3.239 0.920 1.00 0.00 H new ATOM 0 HG22 ILE A 290 1.602 -4.227 2.156 1.00 0.00 H new ATOM 0 HG23 ILE A 290 2.216 -2.602 1.767 1.00 0.00 H new ATOM 0 HD11 ILE A 290 3.481 -1.042 -1.079 1.00 0.00 H new ATOM 0 HD12 ILE A 290 2.631 -1.379 0.447 1.00 0.00 H new ATOM 0 HD13 ILE A 290 4.307 -1.932 0.222 1.00 0.00 H new ATOM 205 N ILE A 291 3.646 -5.831 2.870 1.00 0.00 N ATOM 206 CA ILE A 291 3.500 -7.126 3.597 1.00 0.00 C ATOM 207 C ILE A 291 2.105 -7.206 4.211 1.00 0.00 C ATOM 208 O ILE A 291 1.538 -8.270 4.356 1.00 0.00 O ATOM 209 CB ILE A 291 4.562 -7.141 4.705 1.00 0.00 C ATOM 210 CG1 ILE A 291 4.978 -5.711 5.087 1.00 0.00 C ATOM 211 CG2 ILE A 291 5.779 -7.918 4.214 1.00 0.00 C ATOM 212 CD1 ILE A 291 5.964 -5.160 4.053 1.00 0.00 C ATOM 0 H ILE A 291 3.535 -4.996 3.445 1.00 0.00 H new ATOM 0 HA ILE A 291 3.631 -7.975 2.926 1.00 0.00 H new ATOM 0 HB ILE A 291 4.143 -7.620 5.590 1.00 0.00 H new ATOM 0 HG12 ILE A 291 4.098 -5.070 5.141 1.00 0.00 H new ATOM 0 HG13 ILE A 291 5.436 -5.708 6.076 1.00 0.00 H new ATOM 0 HG21 ILE A 291 6.540 -7.934 4.995 1.00 0.00 H new ATOM 0 HG22 ILE A 291 5.485 -8.939 3.972 1.00 0.00 H new ATOM 0 HG23 ILE A 291 6.183 -7.436 3.324 1.00 0.00 H new ATOM 0 HD11 ILE A 291 6.254 -4.147 4.331 1.00 0.00 H new ATOM 0 HD12 ILE A 291 6.850 -5.795 4.020 1.00 0.00 H new ATOM 0 HD13 ILE A 291 5.491 -5.146 3.071 1.00 0.00 H new ATOM 224 N ASP A 292 1.550 -6.084 4.569 1.00 0.00 N ATOM 225 CA ASP A 292 0.191 -6.089 5.170 1.00 0.00 C ATOM 226 C ASP A 292 -0.457 -4.711 5.014 1.00 0.00 C ATOM 227 O ASP A 292 0.170 -3.765 4.578 1.00 0.00 O ATOM 228 CB ASP A 292 0.412 -6.420 6.647 1.00 0.00 C ATOM 229 CG ASP A 292 -0.938 -6.642 7.331 1.00 0.00 C ATOM 230 OD1 ASP A 292 -1.494 -7.715 7.167 1.00 0.00 O ATOM 231 OD2 ASP A 292 -1.392 -5.735 8.009 1.00 0.00 O ATOM 0 H ASP A 292 1.979 -5.164 4.471 1.00 0.00 H new ATOM 0 HA ASP A 292 -0.474 -6.807 4.690 1.00 0.00 H new ATOM 0 HB2 ASP A 292 1.030 -7.313 6.741 1.00 0.00 H new ATOM 0 HB3 ASP A 292 0.949 -5.607 7.136 1.00 0.00 H new ATOM 236 N SER A 293 -1.706 -4.586 5.369 1.00 0.00 N ATOM 237 CA SER A 293 -2.388 -3.266 5.241 1.00 0.00 C ATOM 238 C SER A 293 -3.127 -2.929 6.538 1.00 0.00 C ATOM 239 O SER A 293 -3.478 -3.802 7.307 1.00 0.00 O ATOM 240 CB SER A 293 -3.374 -3.440 4.087 1.00 0.00 C ATOM 241 OG SER A 293 -3.811 -4.793 4.044 1.00 0.00 O ATOM 0 H SER A 293 -2.284 -5.339 5.742 1.00 0.00 H new ATOM 0 HA SER A 293 -1.687 -2.452 5.055 1.00 0.00 H new ATOM 0 HB2 SER A 293 -4.227 -2.774 4.218 1.00 0.00 H new ATOM 0 HB3 SER A 293 -2.900 -3.168 3.144 1.00 0.00 H new ATOM 0 HG SER A 293 -4.445 -4.909 3.306 1.00 0.00 H new ATOM 247 N GLN A 294 -3.362 -1.670 6.793 1.00 0.00 N ATOM 248 CA GLN A 294 -4.075 -1.291 8.047 1.00 0.00 C ATOM 249 C GLN A 294 -5.099 -0.185 7.774 1.00 0.00 C ATOM 250 O GLN A 294 -4.774 0.986 7.758 1.00 0.00 O ATOM 251 CB GLN A 294 -2.980 -0.781 8.985 1.00 0.00 C ATOM 252 CG GLN A 294 -3.619 -0.221 10.258 1.00 0.00 C ATOM 253 CD GLN A 294 -4.461 -1.308 10.931 1.00 0.00 C ATOM 254 OE1 GLN A 294 -5.437 -1.015 11.592 1.00 0.00 O ATOM 255 NE2 GLN A 294 -4.121 -2.560 10.790 1.00 0.00 N ATOM 0 H GLN A 294 -3.093 -0.892 6.191 1.00 0.00 H new ATOM 0 HA GLN A 294 -4.625 -2.130 8.472 1.00 0.00 H new ATOM 0 HB2 GLN A 294 -2.294 -1.591 9.235 1.00 0.00 H new ATOM 0 HB3 GLN A 294 -2.393 -0.008 8.490 1.00 0.00 H new ATOM 0 HG2 GLN A 294 -2.846 0.129 10.941 1.00 0.00 H new ATOM 0 HG3 GLN A 294 -4.243 0.639 10.016 1.00 0.00 H new ATOM 0 HE21 GLN A 294 -3.301 -2.807 10.235 1.00 0.00 H new ATOM 0 HE22 GLN A 294 -4.675 -3.292 11.235 1.00 0.00 H new ATOM 404 N LEU A 305 -6.076 4.922 5.892 1.00 0.00 N ATOM 405 CA LEU A 305 -5.516 3.669 5.308 1.00 0.00 C ATOM 406 C LEU A 305 -3.986 3.680 5.381 1.00 0.00 C ATOM 407 O LEU A 305 -3.353 4.698 5.183 1.00 0.00 O ATOM 408 CB LEU A 305 -5.983 3.671 3.853 1.00 0.00 C ATOM 409 CG LEU A 305 -5.222 2.599 3.073 1.00 0.00 C ATOM 410 CD1 LEU A 305 -5.460 1.235 3.717 1.00 0.00 C ATOM 411 CD2 LEU A 305 -5.718 2.571 1.626 1.00 0.00 C ATOM 0 HA LEU A 305 -5.849 2.781 5.845 1.00 0.00 H new ATOM 0 HB2 LEU A 305 -7.055 3.480 3.804 1.00 0.00 H new ATOM 0 HB3 LEU A 305 -5.813 4.651 3.406 1.00 0.00 H new ATOM 0 HG LEU A 305 -4.156 2.828 3.088 1.00 0.00 H new ATOM 0 HD11 LEU A 305 -4.917 0.470 3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 305 -5.107 1.253 4.748 1.00 0.00 H new ATOM 0 HD13 LEU A 305 -6.526 1.007 3.702 1.00 0.00 H new ATOM 0 HD21 LEU A 305 -5.175 1.807 1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 305 -6.784 2.343 1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 305 -5.549 3.544 1.165 1.00 0.00 H new ATOM 423 N GLN A 306 -3.388 2.553 5.660 1.00 0.00 N ATOM 424 CA GLN A 306 -1.901 2.493 5.745 1.00 0.00 C ATOM 425 C GLN A 306 -1.400 1.127 5.268 1.00 0.00 C ATOM 426 O GLN A 306 -1.959 0.101 5.601 1.00 0.00 O ATOM 427 CB GLN A 306 -1.579 2.692 7.227 1.00 0.00 C ATOM 428 CG GLN A 306 -1.556 4.188 7.549 1.00 0.00 C ATOM 429 CD GLN A 306 -0.330 4.506 8.408 1.00 0.00 C ATOM 430 OE1 GLN A 306 0.756 4.691 7.894 1.00 0.00 O ATOM 431 NE2 GLN A 306 -0.458 4.582 9.705 1.00 0.00 N ATOM 0 H GLN A 306 -3.867 1.669 5.833 1.00 0.00 H new ATOM 0 HA GLN A 306 -1.422 3.246 5.119 1.00 0.00 H new ATOM 0 HB2 GLN A 306 -2.324 2.188 7.843 1.00 0.00 H new ATOM 0 HB3 GLN A 306 -0.614 2.244 7.464 1.00 0.00 H new ATOM 0 HG2 GLN A 306 -1.528 4.769 6.627 1.00 0.00 H new ATOM 0 HG3 GLN A 306 -2.467 4.471 8.077 1.00 0.00 H new ATOM 0 HE21 GLN A 306 -1.369 4.427 10.138 1.00 0.00 H new ATOM 0 HE22 GLN A 306 0.353 4.796 10.286 1.00 0.00 H new ATOM 440 N TYR A 307 -0.352 1.105 4.490 1.00 0.00 N ATOM 441 CA TYR A 307 0.185 -0.195 3.990 1.00 0.00 C ATOM 442 C TYR A 307 1.530 -0.506 4.652 1.00 0.00 C ATOM 443 O TYR A 307 2.418 0.323 4.691 1.00 0.00 O ATOM 444 CB TYR A 307 0.388 0.013 2.489 1.00 0.00 C ATOM 445 CG TYR A 307 -0.846 -0.408 1.723 1.00 0.00 C ATOM 446 CD1 TYR A 307 -2.068 -0.590 2.385 1.00 0.00 C ATOM 447 CD2 TYR A 307 -0.763 -0.613 0.341 1.00 0.00 C ATOM 448 CE1 TYR A 307 -3.202 -0.977 1.661 1.00 0.00 C ATOM 449 CE2 TYR A 307 -1.898 -0.999 -0.381 1.00 0.00 C ATOM 450 CZ TYR A 307 -3.118 -1.182 0.279 1.00 0.00 C ATOM 451 OH TYR A 307 -4.238 -1.562 -0.432 1.00 0.00 O ATOM 0 H TYR A 307 0.157 1.932 4.178 1.00 0.00 H new ATOM 0 HA TYR A 307 -0.487 -1.024 4.211 1.00 0.00 H new ATOM 0 HB2 TYR A 307 0.608 1.062 2.288 1.00 0.00 H new ATOM 0 HB3 TYR A 307 1.248 -0.564 2.149 1.00 0.00 H new ATOM 0 HD1 TYR A 307 -2.135 -0.432 3.451 1.00 0.00 H new ATOM 0 HD2 TYR A 307 0.179 -0.473 -0.169 1.00 0.00 H new ATOM 0 HE1 TYR A 307 -4.144 -1.118 2.170 1.00 0.00 H new ATOM 0 HE2 TYR A 307 -1.832 -1.156 -1.448 1.00 0.00 H new ATOM 0 HH TYR A 307 -4.345 -0.977 -1.211 1.00 0.00 H new ATOM 461 N LEU A 308 1.697 -1.697 5.156 1.00 0.00 N ATOM 462 CA LEU A 308 2.998 -2.054 5.792 1.00 0.00 C ATOM 463 C LEU A 308 4.047 -2.284 4.701 1.00 0.00 C ATOM 464 O LEU A 308 3.866 -3.103 3.824 1.00 0.00 O ATOM 465 CB LEU A 308 2.726 -3.351 6.554 1.00 0.00 C ATOM 466 CG LEU A 308 3.906 -3.665 7.476 1.00 0.00 C ATOM 467 CD1 LEU A 308 3.947 -2.647 8.617 1.00 0.00 C ATOM 468 CD2 LEU A 308 3.736 -5.072 8.054 1.00 0.00 C ATOM 0 H LEU A 308 0.994 -2.436 5.156 1.00 0.00 H new ATOM 0 HA LEU A 308 3.374 -1.272 6.452 1.00 0.00 H new ATOM 0 HB2 LEU A 308 1.811 -3.256 7.138 1.00 0.00 H new ATOM 0 HB3 LEU A 308 2.572 -4.171 5.852 1.00 0.00 H new ATOM 0 HG LEU A 308 4.836 -3.612 6.910 1.00 0.00 H new ATOM 0 HD11 LEU A 308 4.788 -2.871 9.274 1.00 0.00 H new ATOM 0 HD12 LEU A 308 4.064 -1.644 8.206 1.00 0.00 H new ATOM 0 HD13 LEU A 308 3.018 -2.700 9.185 1.00 0.00 H new ATOM 0 HD21 LEU A 308 4.575 -5.299 8.712 1.00 0.00 H new ATOM 0 HD22 LEU A 308 2.807 -5.122 8.621 1.00 0.00 H new ATOM 0 HD23 LEU A 308 3.705 -5.798 7.241 1.00 0.00 H new ATOM 480 N VAL A 309 5.137 -1.565 4.737 1.00 0.00 N ATOM 481 CA VAL A 309 6.176 -1.755 3.684 1.00 0.00 C ATOM 482 C VAL A 309 7.526 -2.117 4.309 1.00 0.00 C ATOM 483 O VAL A 309 7.811 -1.777 5.439 1.00 0.00 O ATOM 484 CB VAL A 309 6.271 -0.413 2.965 1.00 0.00 C ATOM 485 CG1 VAL A 309 7.067 -0.591 1.671 1.00 0.00 C ATOM 486 CG2 VAL A 309 4.864 0.090 2.632 1.00 0.00 C ATOM 0 H VAL A 309 5.352 -0.861 5.443 1.00 0.00 H new ATOM 0 HA VAL A 309 5.915 -2.568 3.006 1.00 0.00 H new ATOM 0 HB VAL A 309 6.771 0.311 3.608 1.00 0.00 H new ATOM 0 HG11 VAL A 309 7.138 0.365 1.153 1.00 0.00 H new ATOM 0 HG12 VAL A 309 8.068 -0.951 1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 309 6.563 -1.314 1.030 1.00 0.00 H new ATOM 0 HG21 VAL A 309 4.933 1.049 2.118 1.00 0.00 H new ATOM 0 HG22 VAL A 309 4.363 -0.632 1.987 1.00 0.00 H new ATOM 0 HG23 VAL A 309 4.294 0.212 3.553 1.00 0.00 H new ATOM 496 N LYS A 310 8.358 -2.800 3.571 1.00 0.00 N ATOM 497 CA LYS A 310 9.696 -3.184 4.105 1.00 0.00 C ATOM 498 C LYS A 310 10.774 -2.287 3.493 1.00 0.00 C ATOM 499 O LYS A 310 11.298 -2.566 2.432 1.00 0.00 O ATOM 500 CB LYS A 310 9.895 -4.637 3.670 1.00 0.00 C ATOM 501 CG LYS A 310 10.754 -5.369 4.703 1.00 0.00 C ATOM 502 CD LYS A 310 9.955 -6.528 5.303 1.00 0.00 C ATOM 503 CE LYS A 310 10.611 -6.978 6.610 1.00 0.00 C ATOM 504 NZ LYS A 310 10.610 -8.467 6.549 1.00 0.00 N ATOM 0 H LYS A 310 8.168 -3.110 2.618 1.00 0.00 H new ATOM 0 HA LYS A 310 9.761 -3.074 5.187 1.00 0.00 H new ATOM 0 HB2 LYS A 310 8.929 -5.132 3.569 1.00 0.00 H new ATOM 0 HB3 LYS A 310 10.375 -4.672 2.692 1.00 0.00 H new ATOM 0 HG2 LYS A 310 11.664 -5.745 4.234 1.00 0.00 H new ATOM 0 HG3 LYS A 310 11.062 -4.680 5.490 1.00 0.00 H new ATOM 0 HD2 LYS A 310 8.927 -6.217 5.488 1.00 0.00 H new ATOM 0 HD3 LYS A 310 9.915 -7.359 4.599 1.00 0.00 H new ATOM 0 HE2 LYS A 310 11.625 -6.587 6.698 1.00 0.00 H new ATOM 0 HE3 LYS A 310 10.055 -6.618 7.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 310 11.045 -8.850 7.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 310 9.631 -8.811 6.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 310 11.153 -8.781 5.719 1.00 0.00 H new ATOM 681 N THR A 320 8.002 -0.918 8.354 1.00 0.00 N ATOM 682 CA THR A 320 7.067 -0.224 9.287 1.00 0.00 C ATOM 683 C THR A 320 5.710 0.002 8.612 1.00 0.00 C ATOM 684 O THR A 320 5.357 -0.670 7.662 1.00 0.00 O ATOM 685 CB THR A 320 7.743 1.111 9.605 1.00 0.00 C ATOM 686 OG1 THR A 320 8.134 1.743 8.394 1.00 0.00 O ATOM 687 CG2 THR A 320 8.975 0.865 10.476 1.00 0.00 C ATOM 0 HA THR A 320 6.875 -0.807 10.188 1.00 0.00 H new ATOM 0 HB THR A 320 7.045 1.754 10.141 1.00 0.00 H new ATOM 0 HG1 THR A 320 8.269 1.065 7.700 1.00 0.00 H new ATOM 0 HG21 THR A 320 9.456 1.816 10.702 1.00 0.00 H new ATOM 0 HG22 THR A 320 8.673 0.381 11.405 1.00 0.00 H new ATOM 0 HG23 THR A 320 9.675 0.222 9.943 1.00 0.00 H new ATOM 695 N TRP A 321 4.945 0.939 9.101 1.00 0.00 N ATOM 696 CA TRP A 321 3.610 1.207 8.496 1.00 0.00 C ATOM 697 C TRP A 321 3.587 2.588 7.839 1.00 0.00 C ATOM 698 O TRP A 321 4.111 3.550 8.366 1.00 0.00 O ATOM 699 CB TRP A 321 2.634 1.164 9.671 1.00 0.00 C ATOM 700 CG TRP A 321 2.120 -0.227 9.847 1.00 0.00 C ATOM 701 CD1 TRP A 321 2.400 -1.031 10.897 1.00 0.00 C ATOM 702 CD2 TRP A 321 1.240 -0.991 8.970 1.00 0.00 C ATOM 703 NE1 TRP A 321 1.748 -2.238 10.724 1.00 0.00 N ATOM 704 CE2 TRP A 321 1.021 -2.262 9.552 1.00 0.00 C ATOM 705 CE3 TRP A 321 0.618 -0.708 7.740 1.00 0.00 C ATOM 706 CZ2 TRP A 321 0.211 -3.218 8.936 1.00 0.00 C ATOM 707 CZ3 TRP A 321 -0.197 -1.669 7.119 1.00 0.00 C ATOM 708 CH2 TRP A 321 -0.399 -2.920 7.716 1.00 0.00 C ATOM 0 H TRP A 321 5.188 1.532 9.895 1.00 0.00 H new ATOM 0 HA TRP A 321 3.358 0.484 7.720 1.00 0.00 H new ATOM 0 HB2 TRP A 321 3.132 1.496 10.582 1.00 0.00 H new ATOM 0 HB3 TRP A 321 1.805 1.849 9.493 1.00 0.00 H new ATOM 0 HD1 TRP A 321 3.031 -0.773 11.735 1.00 0.00 H new ATOM 0 HE1 TRP A 321 1.798 -3.015 11.382 1.00 0.00 H new ATOM 0 HE3 TRP A 321 0.768 0.253 7.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 321 0.057 -4.181 9.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 321 -0.671 -1.442 6.175 1.00 0.00 H new ATOM 0 HH2 TRP A 321 -1.027 -3.654 7.233 1.00 0.00 H new ATOM 719 N GLU A 322 2.976 2.693 6.692 1.00 0.00 N ATOM 720 CA GLU A 322 2.904 4.009 5.996 1.00 0.00 C ATOM 721 C GLU A 322 1.548 4.153 5.305 1.00 0.00 C ATOM 722 O GLU A 322 0.856 3.183 5.073 1.00 0.00 O ATOM 723 CB GLU A 322 4.036 3.979 4.969 1.00 0.00 C ATOM 724 CG GLU A 322 5.311 4.536 5.605 1.00 0.00 C ATOM 725 CD GLU A 322 5.766 5.777 4.833 1.00 0.00 C ATOM 726 OE1 GLU A 322 5.560 5.811 3.632 1.00 0.00 O ATOM 727 OE2 GLU A 322 6.312 6.671 5.458 1.00 0.00 O ATOM 0 H GLU A 322 2.521 1.921 6.204 1.00 0.00 H new ATOM 0 HA GLU A 322 3.006 4.851 6.680 1.00 0.00 H new ATOM 0 HB2 GLU A 322 4.203 2.958 4.625 1.00 0.00 H new ATOM 0 HB3 GLU A 322 3.764 4.570 4.094 1.00 0.00 H new ATOM 0 HG2 GLU A 322 5.128 4.791 6.649 1.00 0.00 H new ATOM 0 HG3 GLU A 322 6.096 3.780 5.594 1.00 0.00 H new ATOM 734 N ASN A 323 1.161 5.352 4.969 1.00 0.00 N ATOM 735 CA ASN A 323 -0.149 5.536 4.292 1.00 0.00 C ATOM 736 C ASN A 323 -0.150 4.776 2.967 1.00 0.00 C ATOM 737 O ASN A 323 0.773 4.877 2.182 1.00 0.00 O ATOM 738 CB ASN A 323 -0.267 7.043 4.051 1.00 0.00 C ATOM 739 CG ASN A 323 -0.589 7.748 5.371 1.00 0.00 C ATOM 740 OD1 ASN A 323 -1.729 8.077 5.635 1.00 0.00 O ATOM 741 ND2 ASN A 323 0.374 7.995 6.216 1.00 0.00 N ATOM 0 H ASN A 323 1.693 6.207 5.133 1.00 0.00 H new ATOM 0 HA ASN A 323 -0.984 5.159 4.883 1.00 0.00 H new ATOM 0 HB2 ASN A 323 0.664 7.430 3.638 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -1.049 7.245 3.319 1.00 0.00 H new ATOM 0 HD21 ASN A 323 0.170 8.464 7.098 1.00 0.00 H new ATOM 0 HD22 ASN A 323 1.330 7.719 5.994 1.00 0.00 H new ATOM 748 N ALA A 324 -1.183 4.028 2.701 1.00 0.00 N ATOM 749 CA ALA A 324 -1.233 3.282 1.417 1.00 0.00 C ATOM 750 C ALA A 324 -1.222 4.291 0.278 1.00 0.00 C ATOM 751 O ALA A 324 -0.917 3.978 -0.853 1.00 0.00 O ATOM 752 CB ALA A 324 -2.551 2.509 1.447 1.00 0.00 C ATOM 0 H ALA A 324 -1.989 3.902 3.313 1.00 0.00 H new ATOM 0 HA ALA A 324 -0.390 2.605 1.278 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -2.656 1.933 0.527 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -2.557 1.832 2.301 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -3.382 3.209 1.533 1.00 0.00 H new ATOM 758 N THR A 325 -1.540 5.516 0.588 1.00 0.00 N ATOM 759 CA THR A 325 -1.544 6.578 -0.447 1.00 0.00 C ATOM 760 C THR A 325 -0.101 6.958 -0.784 1.00 0.00 C ATOM 761 O THR A 325 0.299 6.968 -1.931 1.00 0.00 O ATOM 762 CB THR A 325 -2.294 7.739 0.213 1.00 0.00 C ATOM 763 OG1 THR A 325 -3.686 7.595 -0.029 1.00 0.00 O ATOM 764 CG2 THR A 325 -1.813 9.073 -0.352 1.00 0.00 C ATOM 0 H THR A 325 -1.799 5.827 1.524 1.00 0.00 H new ATOM 0 HA THR A 325 -2.014 6.279 -1.384 1.00 0.00 H new ATOM 0 HB THR A 325 -2.100 7.723 1.286 1.00 0.00 H new ATOM 0 HG1 THR A 325 -4.170 8.335 0.393 1.00 0.00 H new ATOM 0 HG21 THR A 325 -2.356 9.888 0.127 1.00 0.00 H new ATOM 0 HG22 THR A 325 -0.746 9.186 -0.161 1.00 0.00 H new ATOM 0 HG23 THR A 325 -1.994 9.099 -1.427 1.00 0.00 H new ATOM 772 N ASP A 326 0.684 7.256 0.212 1.00 0.00 N ATOM 773 CA ASP A 326 2.103 7.615 -0.050 1.00 0.00 C ATOM 774 C ASP A 326 2.776 6.469 -0.798 1.00 0.00 C ATOM 775 O ASP A 326 3.396 6.665 -1.821 1.00 0.00 O ATOM 776 CB ASP A 326 2.738 7.807 1.327 1.00 0.00 C ATOM 777 CG ASP A 326 2.735 9.294 1.689 1.00 0.00 C ATOM 778 OD1 ASP A 326 2.856 10.104 0.784 1.00 0.00 O ATOM 779 OD2 ASP A 326 2.612 9.597 2.864 1.00 0.00 O ATOM 0 H ASP A 326 0.405 7.266 1.193 1.00 0.00 H new ATOM 0 HA ASP A 326 2.204 8.514 -0.658 1.00 0.00 H new ATOM 0 HB2 ASP A 326 2.186 7.239 2.076 1.00 0.00 H new ATOM 0 HB3 ASP A 326 3.759 7.425 1.325 1.00 0.00 H new ATOM 784 N ILE A 327 2.649 5.269 -0.302 1.00 0.00 N ATOM 785 CA ILE A 327 3.274 4.109 -0.996 1.00 0.00 C ATOM 786 C ILE A 327 2.666 3.949 -2.392 1.00 0.00 C ATOM 787 O ILE A 327 3.320 3.508 -3.313 1.00 0.00 O ATOM 788 CB ILE A 327 2.967 2.896 -0.117 1.00 0.00 C ATOM 789 CG1 ILE A 327 3.740 3.024 1.198 1.00 0.00 C ATOM 790 CG2 ILE A 327 3.403 1.619 -0.837 1.00 0.00 C ATOM 791 CD1 ILE A 327 5.207 3.340 0.895 1.00 0.00 C ATOM 0 H ILE A 327 2.140 5.042 0.552 1.00 0.00 H new ATOM 0 HA ILE A 327 4.348 4.234 -1.132 1.00 0.00 H new ATOM 0 HB ILE A 327 1.897 2.851 0.084 1.00 0.00 H new ATOM 0 HG12 ILE A 327 3.306 3.812 1.813 1.00 0.00 H new ATOM 0 HG13 ILE A 327 3.666 2.098 1.768 1.00 0.00 H new ATOM 0 HG21 ILE A 327 3.184 0.755 -0.210 1.00 0.00 H new ATOM 0 HG22 ILE A 327 2.862 1.530 -1.779 1.00 0.00 H new ATOM 0 HG23 ILE A 327 4.474 1.661 -1.036 1.00 0.00 H new ATOM 0 HD11 ILE A 327 5.760 3.432 1.830 1.00 0.00 H new ATOM 0 HD12 ILE A 327 5.636 2.536 0.297 1.00 0.00 H new ATOM 0 HD13 ILE A 327 5.271 4.277 0.342 1.00 0.00 H new ATOM 803 N VAL A 328 1.429 4.323 -2.570 1.00 0.00 N ATOM 804 CA VAL A 328 0.823 4.211 -3.927 1.00 0.00 C ATOM 805 C VAL A 328 1.597 5.133 -4.867 1.00 0.00 C ATOM 806 O VAL A 328 1.861 4.810 -6.007 1.00 0.00 O ATOM 807 CB VAL A 328 -0.628 4.673 -3.761 1.00 0.00 C ATOM 808 CG1 VAL A 328 -1.169 5.208 -5.092 1.00 0.00 C ATOM 809 CG2 VAL A 328 -1.479 3.488 -3.310 1.00 0.00 C ATOM 0 H VAL A 328 0.818 4.697 -1.844 1.00 0.00 H new ATOM 0 HA VAL A 328 0.858 3.204 -4.342 1.00 0.00 H new ATOM 0 HB VAL A 328 -0.669 5.469 -3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -2.201 5.533 -4.961 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -0.561 6.052 -5.419 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -1.130 4.420 -5.844 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -2.514 3.808 -3.189 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -1.429 2.698 -4.059 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -1.103 3.111 -2.359 1.00 0.00 H new ATOM 819 N LYS A 329 1.982 6.272 -4.369 1.00 0.00 N ATOM 820 CA LYS A 329 2.772 7.231 -5.196 1.00 0.00 C ATOM 821 C LYS A 329 4.257 6.876 -5.084 1.00 0.00 C ATOM 822 O LYS A 329 4.966 6.788 -6.067 1.00 0.00 O ATOM 823 CB LYS A 329 2.497 8.608 -4.587 1.00 0.00 C ATOM 824 CG LYS A 329 1.590 9.409 -5.523 1.00 0.00 C ATOM 825 CD LYS A 329 0.781 10.421 -4.710 1.00 0.00 C ATOM 826 CE LYS A 329 1.673 11.609 -4.335 1.00 0.00 C ATOM 827 NZ LYS A 329 1.860 12.370 -5.603 1.00 0.00 N ATOM 0 H LYS A 329 1.784 6.585 -3.419 1.00 0.00 H new ATOM 0 HA LYS A 329 2.503 7.205 -6.252 1.00 0.00 H new ATOM 0 HB2 LYS A 329 2.024 8.498 -3.611 1.00 0.00 H new ATOM 0 HB3 LYS A 329 3.435 9.141 -4.428 1.00 0.00 H new ATOM 0 HG2 LYS A 329 2.189 9.925 -6.273 1.00 0.00 H new ATOM 0 HG3 LYS A 329 0.919 8.737 -6.058 1.00 0.00 H new ATOM 0 HD2 LYS A 329 -0.076 10.765 -5.288 1.00 0.00 H new ATOM 0 HD3 LYS A 329 0.389 9.949 -3.809 1.00 0.00 H new ATOM 0 HE2 LYS A 329 1.204 12.228 -3.570 1.00 0.00 H new ATOM 0 HE3 LYS A 329 2.629 11.273 -3.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 329 2.872 12.411 -5.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 329 1.345 11.895 -6.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 329 1.493 13.336 -5.486 1.00 0.00 H new ATOM 841 N LEU A 330 4.719 6.650 -3.884 1.00 0.00 N ATOM 842 CA LEU A 330 6.145 6.272 -3.680 1.00 0.00 C ATOM 843 C LEU A 330 6.414 4.941 -4.376 1.00 0.00 C ATOM 844 O LEU A 330 7.396 4.766 -5.070 1.00 0.00 O ATOM 845 CB LEU A 330 6.282 6.111 -2.166 1.00 0.00 C ATOM 846 CG LEU A 330 7.634 6.650 -1.703 1.00 0.00 C ATOM 847 CD1 LEU A 330 7.544 8.164 -1.526 1.00 0.00 C ATOM 848 CD2 LEU A 330 8.003 6.007 -0.366 1.00 0.00 C ATOM 0 H LEU A 330 4.164 6.712 -3.030 1.00 0.00 H new ATOM 0 HA LEU A 330 6.845 7.004 -4.082 1.00 0.00 H new ATOM 0 HB2 LEU A 330 5.477 6.644 -1.661 1.00 0.00 H new ATOM 0 HB3 LEU A 330 6.188 5.060 -1.894 1.00 0.00 H new ATOM 0 HG LEU A 330 8.395 6.414 -2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 330 8.508 8.550 -1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 330 7.275 8.626 -2.476 1.00 0.00 H new ATOM 0 HD13 LEU A 330 6.785 8.399 -0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 330 8.968 6.389 -0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 330 7.241 6.247 0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 330 8.064 4.925 -0.487 1.00 0.00 H new ATOM 860 N ALA A 331 5.530 4.003 -4.190 1.00 0.00 N ATOM 861 CA ALA A 331 5.691 2.670 -4.826 1.00 0.00 C ATOM 862 C ALA A 331 4.323 2.149 -5.279 1.00 0.00 C ATOM 863 O ALA A 331 3.708 1.352 -4.599 1.00 0.00 O ATOM 864 CB ALA A 331 6.269 1.777 -3.729 1.00 0.00 C ATOM 0 H ALA A 331 4.693 4.106 -3.617 1.00 0.00 H new ATOM 0 HA ALA A 331 6.335 2.698 -5.705 1.00 0.00 H new ATOM 0 HB1 ALA A 331 6.418 0.771 -4.120 1.00 0.00 H new ATOM 0 HB2 ALA A 331 7.225 2.182 -3.396 1.00 0.00 H new ATOM 0 HB3 ALA A 331 5.577 1.740 -2.887 1.00 0.00 H new ATOM 870 N PRO A 332 3.888 2.624 -6.416 1.00 0.00 N ATOM 871 CA PRO A 332 2.574 2.205 -6.966 1.00 0.00 C ATOM 872 C PRO A 332 2.626 0.735 -7.387 1.00 0.00 C ATOM 873 O PRO A 332 1.836 -0.076 -6.945 1.00 0.00 O ATOM 874 CB PRO A 332 2.386 3.116 -8.179 1.00 0.00 C ATOM 875 CG PRO A 332 3.771 3.519 -8.569 1.00 0.00 C ATOM 876 CD PRO A 332 4.573 3.578 -7.295 1.00 0.00 C ATOM 0 HA PRO A 332 1.757 2.290 -6.249 1.00 0.00 H new ATOM 0 HB2 PRO A 332 1.882 2.594 -8.992 1.00 0.00 H new ATOM 0 HB3 PRO A 332 1.776 3.985 -7.931 1.00 0.00 H new ATOM 0 HG2 PRO A 332 4.202 2.801 -9.266 1.00 0.00 H new ATOM 0 HG3 PRO A 332 3.767 4.487 -9.070 1.00 0.00 H new ATOM 0 HD2 PRO A 332 5.613 3.296 -7.461 1.00 0.00 H new ATOM 0 HD3 PRO A 332 4.579 4.582 -6.871 1.00 0.00 H new ATOM 884 N GLU A 333 3.556 0.383 -8.233 1.00 0.00 N ATOM 885 CA GLU A 333 3.660 -1.037 -8.673 1.00 0.00 C ATOM 886 C GLU A 333 3.577 -1.958 -7.455 1.00 0.00 C ATOM 887 O GLU A 333 2.964 -3.006 -7.497 1.00 0.00 O ATOM 888 CB GLU A 333 5.030 -1.147 -9.343 1.00 0.00 C ATOM 889 CG GLU A 333 4.892 -1.903 -10.666 1.00 0.00 C ATOM 890 CD GLU A 333 5.817 -1.275 -11.711 1.00 0.00 C ATOM 891 OE1 GLU A 333 6.028 -0.076 -11.643 1.00 0.00 O ATOM 892 OE2 GLU A 333 6.300 -2.007 -12.560 1.00 0.00 O ATOM 0 H GLU A 333 4.246 1.016 -8.637 1.00 0.00 H new ATOM 0 HA GLU A 333 2.858 -1.327 -9.352 1.00 0.00 H new ATOM 0 HB2 GLU A 333 5.440 -0.153 -9.521 1.00 0.00 H new ATOM 0 HB3 GLU A 333 5.727 -1.667 -8.686 1.00 0.00 H new ATOM 0 HG2 GLU A 333 5.145 -2.954 -10.525 1.00 0.00 H new ATOM 0 HG3 GLU A 333 3.859 -1.868 -11.011 1.00 0.00 H new ATOM 899 N GLN A 334 4.180 -1.568 -6.365 1.00 0.00 N ATOM 900 CA GLN A 334 4.126 -2.416 -5.141 1.00 0.00 C ATOM 901 C GLN A 334 2.701 -2.426 -4.585 1.00 0.00 C ATOM 902 O GLN A 334 2.062 -3.456 -4.509 1.00 0.00 O ATOM 903 CB GLN A 334 5.087 -1.754 -4.152 1.00 0.00 C ATOM 904 CG GLN A 334 6.531 -2.058 -4.560 1.00 0.00 C ATOM 905 CD GLN A 334 7.064 -0.924 -5.438 1.00 0.00 C ATOM 906 OE1 GLN A 334 6.301 -0.190 -6.034 1.00 0.00 O ATOM 907 NE2 GLN A 334 8.353 -0.747 -5.544 1.00 0.00 N ATOM 0 H GLN A 334 4.707 -0.700 -6.269 1.00 0.00 H new ATOM 0 HA GLN A 334 4.404 -3.452 -5.337 1.00 0.00 H new ATOM 0 HB2 GLN A 334 4.922 -0.677 -4.134 1.00 0.00 H new ATOM 0 HB3 GLN A 334 4.898 -2.122 -3.144 1.00 0.00 H new ATOM 0 HG2 GLN A 334 7.155 -2.169 -3.673 1.00 0.00 H new ATOM 0 HG3 GLN A 334 6.576 -3.003 -5.102 1.00 0.00 H new ATOM 0 HE21 GLN A 334 8.995 -1.362 -5.044 1.00 0.00 H new ATOM 0 HE22 GLN A 334 8.718 0.007 -6.126 1.00 0.00 H new ATOM 916 N VAL A 335 2.193 -1.285 -4.206 1.00 0.00 N ATOM 917 CA VAL A 335 0.805 -1.233 -3.670 1.00 0.00 C ATOM 918 C VAL A 335 -0.143 -1.910 -4.667 1.00 0.00 C ATOM 919 O VAL A 335 -1.042 -2.633 -4.287 1.00 0.00 O ATOM 920 CB VAL A 335 0.508 0.264 -3.505 1.00 0.00 C ATOM 921 CG1 VAL A 335 -0.985 0.553 -3.671 1.00 0.00 C ATOM 922 CG2 VAL A 335 0.942 0.699 -2.105 1.00 0.00 C ATOM 0 H VAL A 335 2.679 -0.389 -4.245 1.00 0.00 H new ATOM 0 HA VAL A 335 0.678 -1.757 -2.722 1.00 0.00 H new ATOM 0 HB VAL A 335 1.054 0.814 -4.272 1.00 0.00 H new ATOM 0 HG11 VAL A 335 -1.165 1.621 -3.549 1.00 0.00 H new ATOM 0 HG12 VAL A 335 -1.307 0.242 -4.665 1.00 0.00 H new ATOM 0 HG13 VAL A 335 -1.548 0.002 -2.918 1.00 0.00 H new ATOM 0 HG21 VAL A 335 0.737 1.761 -1.974 1.00 0.00 H new ATOM 0 HG22 VAL A 335 0.389 0.128 -1.359 1.00 0.00 H new ATOM 0 HG23 VAL A 335 2.010 0.518 -1.983 1.00 0.00 H new ATOM 932 N LYS A 336 0.063 -1.703 -5.939 1.00 0.00 N ATOM 933 CA LYS A 336 -0.816 -2.365 -6.944 1.00 0.00 C ATOM 934 C LYS A 336 -0.630 -3.876 -6.836 1.00 0.00 C ATOM 935 O LYS A 336 -1.577 -4.618 -6.666 1.00 0.00 O ATOM 936 CB LYS A 336 -0.336 -1.852 -8.302 1.00 0.00 C ATOM 937 CG LYS A 336 -1.414 -2.108 -9.356 1.00 0.00 C ATOM 938 CD LYS A 336 -1.255 -3.521 -9.918 1.00 0.00 C ATOM 939 CE LYS A 336 -1.327 -3.473 -11.446 1.00 0.00 C ATOM 940 NZ LYS A 336 -2.496 -4.324 -11.802 1.00 0.00 N ATOM 0 H LYS A 336 0.797 -1.108 -6.324 1.00 0.00 H new ATOM 0 HA LYS A 336 -1.874 -2.148 -6.796 1.00 0.00 H new ATOM 0 HB2 LYS A 336 -0.117 -0.786 -8.243 1.00 0.00 H new ATOM 0 HB3 LYS A 336 0.590 -2.353 -8.585 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -2.404 -1.990 -8.915 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -1.334 -1.375 -10.159 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -0.302 -3.945 -9.601 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -2.038 -4.170 -9.526 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -1.459 -2.452 -11.803 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -0.410 -3.853 -11.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -2.611 -4.341 -12.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -2.339 -5.292 -11.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -3.355 -3.934 -11.365 1.00 0.00 H new ATOM 954 N HIS A 337 0.591 -4.339 -6.899 1.00 0.00 N ATOM 955 CA HIS A 337 0.829 -5.799 -6.762 1.00 0.00 C ATOM 956 C HIS A 337 0.302 -6.237 -5.398 1.00 0.00 C ATOM 957 O HIS A 337 -0.477 -7.163 -5.284 1.00 0.00 O ATOM 958 CB HIS A 337 2.346 -5.971 -6.842 1.00 0.00 C ATOM 959 CG HIS A 337 2.667 -7.343 -7.368 1.00 0.00 C ATOM 960 ND1 HIS A 337 3.313 -8.296 -6.599 1.00 0.00 N ATOM 961 CD2 HIS A 337 2.435 -7.935 -8.586 1.00 0.00 C ATOM 962 CE1 HIS A 337 3.447 -9.402 -7.353 1.00 0.00 C ATOM 963 NE2 HIS A 337 2.929 -9.236 -8.574 1.00 0.00 N ATOM 0 H HIS A 337 1.426 -3.771 -7.039 1.00 0.00 H new ATOM 0 HA HIS A 337 0.332 -6.395 -7.527 1.00 0.00 H new ATOM 0 HB2 HIS A 337 2.775 -5.210 -7.494 1.00 0.00 H new ATOM 0 HB3 HIS A 337 2.791 -5.834 -5.856 1.00 0.00 H new ATOM 0 HD2 HIS A 337 1.944 -7.463 -9.424 1.00 0.00 H new ATOM 0 HE1 HIS A 337 3.916 -10.313 -7.013 1.00 0.00 H new ATOM 0 HE2 HIS A 337 2.902 -9.916 -9.333 1.00 0.00 H new ATOM 971 N PHE A 338 0.699 -5.546 -4.364 1.00 0.00 N ATOM 972 CA PHE A 338 0.200 -5.881 -3.005 1.00 0.00 C ATOM 973 C PHE A 338 -1.327 -5.857 -3.023 1.00 0.00 C ATOM 974 O PHE A 338 -1.991 -6.674 -2.417 1.00 0.00 O ATOM 975 CB PHE A 338 0.736 -4.766 -2.110 1.00 0.00 C ATOM 976 CG PHE A 338 -0.004 -4.768 -0.798 1.00 0.00 C ATOM 977 CD1 PHE A 338 -0.184 -5.962 -0.092 1.00 0.00 C ATOM 978 CD2 PHE A 338 -0.508 -3.569 -0.289 1.00 0.00 C ATOM 979 CE1 PHE A 338 -0.871 -5.955 1.127 1.00 0.00 C ATOM 980 CE2 PHE A 338 -1.192 -3.560 0.931 1.00 0.00 C ATOM 981 CZ PHE A 338 -1.375 -4.754 1.641 1.00 0.00 C ATOM 0 H PHE A 338 1.350 -4.762 -4.405 1.00 0.00 H new ATOM 0 HA PHE A 338 0.517 -6.865 -2.660 1.00 0.00 H new ATOM 0 HB2 PHE A 338 1.803 -4.907 -1.937 1.00 0.00 H new ATOM 0 HB3 PHE A 338 0.618 -3.802 -2.604 1.00 0.00 H new ATOM 0 HD1 PHE A 338 0.207 -6.888 -0.487 1.00 0.00 H new ATOM 0 HD2 PHE A 338 -0.370 -2.649 -0.837 1.00 0.00 H new ATOM 0 HE1 PHE A 338 -1.013 -6.877 1.672 1.00 0.00 H new ATOM 0 HE2 PHE A 338 -1.579 -2.632 1.326 1.00 0.00 H new ATOM 0 HZ PHE A 338 -1.904 -4.748 2.583 1.00 0.00 H new ATOM 991 N GLN A 339 -1.880 -4.912 -3.733 1.00 0.00 N ATOM 992 CA GLN A 339 -3.360 -4.800 -3.825 1.00 0.00 C ATOM 993 C GLN A 339 -3.949 -6.084 -4.416 1.00 0.00 C ATOM 994 O GLN A 339 -4.864 -6.668 -3.867 1.00 0.00 O ATOM 995 CB GLN A 339 -3.590 -3.612 -4.761 1.00 0.00 C ATOM 996 CG GLN A 339 -3.922 -2.368 -3.935 1.00 0.00 C ATOM 997 CD GLN A 339 -5.311 -1.855 -4.322 1.00 0.00 C ATOM 998 OE1 GLN A 339 -6.242 -1.947 -3.547 1.00 0.00 O ATOM 999 NE2 GLN A 339 -5.490 -1.315 -5.496 1.00 0.00 N ATOM 0 H GLN A 339 -1.363 -4.207 -4.258 1.00 0.00 H new ATOM 0 HA GLN A 339 -3.837 -4.658 -2.855 1.00 0.00 H new ATOM 0 HB2 GLN A 339 -2.700 -3.434 -5.365 1.00 0.00 H new ATOM 0 HB3 GLN A 339 -4.405 -3.831 -5.451 1.00 0.00 H new ATOM 0 HG2 GLN A 339 -3.894 -2.606 -2.872 1.00 0.00 H new ATOM 0 HG3 GLN A 339 -3.175 -1.593 -4.108 1.00 0.00 H new ATOM 0 HE21 GLN A 339 -4.708 -1.238 -6.146 1.00 0.00 H new ATOM 0 HE22 GLN A 339 -6.412 -0.970 -5.763 1.00 0.00 H new