USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 557 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 572 GLN : amide:sc= -4.92! K(o=-5.3!,f=-0.49) USER MOD Set 1.2: A 575 GLN : amide:sc= -0.384 K(o=-5.3,f=-2.3!) USER MOD Single : A 563 SER OG : rot 37:sc= 0.115 USER MOD Single : A 564 TYR OH : rot 180:sc= 0.194 USER MOD Single : A 565 LYS NZ :NH3+ -137:sc= -0.748 (180deg=-2.79!) USER MOD Single : A 567 GLN : amide:sc= -0.78 K(o=-0.78,f=-1.6) USER MOD Single : A 583 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 588 GLN : amide:sc= -1.2 K(o=-1.2,f=-4.3!) USER MOD Single : A 589 THR OG1 : rot 180:sc= 0 USER MOD Single : A 590 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 595 SER OG : rot 180:sc= 0 USER MOD Single : A 598 SER OG : rot -23:sc= 0.416 USER MOD Single : A 599 GLN : amide:sc= -0.0665 K(o=-0.066,f=-1.6) USER MOD Single : A 601 HIS : no HD1:sc= -0.0958 K(o=-0.096,f=-0.63) USER MOD Single : A 603 GLN : amide:sc= -0.177 K(o=-0.18,f=-2.6) USER MOD Single : A 604 THR OG1 : rot -67:sc= 0.253 USER MOD Single : A 605 GLN : amide:sc= -2.37! C(o=-2.4!,f=-4.4!) USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 1.21 (180deg=1.21) USER MOD Single : A 611 MET CE :methyl 140:sc= -0.779 (180deg=-1.42) USER MOD Single : A 616 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.56) USER MOD Single : A 620 GLN : amide:sc= 0 X(o=0,f=0.28) USER MOD Single : A 627 TYR OH : rot 180:sc= 0 USER MOD Single : A 632 LYS NZ :NH3+ -131:sc= 1.11 (180deg=-0.0296) USER MOD ----------------------------------------------------------------- ATOM 198 N SER A 563 -22.608 0.693 -3.272 1.00 0.00 N ATOM 199 CA SER A 563 -22.597 1.726 -4.291 1.00 0.00 C ATOM 200 C SER A 563 -21.628 1.315 -5.394 1.00 0.00 C ATOM 201 O SER A 563 -20.615 0.687 -5.093 1.00 0.00 O ATOM 202 CB SER A 563 -22.171 3.056 -3.675 1.00 0.00 C ATOM 203 OG SER A 563 -23.007 3.403 -2.582 1.00 0.00 O ATOM 0 HA SER A 563 -23.595 1.847 -4.712 1.00 0.00 H new ATOM 0 HB2 SER A 563 -21.136 2.990 -3.339 1.00 0.00 H new ATOM 0 HB3 SER A 563 -22.211 3.840 -4.431 1.00 0.00 H new ATOM 0 HG SER A 563 -23.253 2.593 -2.088 1.00 0.00 H new ATOM 209 N TYR A 564 -21.930 1.609 -6.654 1.00 0.00 N ATOM 210 CA TYR A 564 -21.115 1.087 -7.759 1.00 0.00 C ATOM 211 C TYR A 564 -19.630 1.387 -7.561 1.00 0.00 C ATOM 212 O TYR A 564 -18.778 0.544 -7.861 1.00 0.00 O ATOM 213 CB TYR A 564 -21.562 1.630 -9.109 1.00 0.00 C ATOM 214 CG TYR A 564 -20.908 0.904 -10.258 1.00 0.00 C ATOM 215 CD1 TYR A 564 -21.464 -0.257 -10.774 1.00 0.00 C ATOM 216 CD2 TYR A 564 -19.715 1.363 -10.807 1.00 0.00 C ATOM 217 CE1 TYR A 564 -20.856 -0.938 -11.808 1.00 0.00 C ATOM 218 CE2 TYR A 564 -19.102 0.686 -11.839 1.00 0.00 C ATOM 219 CZ TYR A 564 -19.675 -0.464 -12.336 1.00 0.00 C ATOM 220 OH TYR A 564 -19.065 -1.139 -13.370 1.00 0.00 O ATOM 0 H TYR A 564 -22.716 2.194 -6.938 1.00 0.00 H new ATOM 0 HA TYR A 564 -21.262 0.007 -7.753 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -22.645 1.541 -9.194 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -21.323 2.692 -9.169 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -22.387 -0.634 -10.360 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -19.262 2.263 -10.419 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -21.304 -1.839 -12.202 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -18.177 1.055 -12.256 1.00 0.00 H new ATOM 0 HH TYR A 564 -18.243 -0.672 -13.626 1.00 0.00 H new ATOM 230 N LYS A 565 -19.329 2.575 -7.042 1.00 0.00 N ATOM 231 CA LYS A 565 -17.955 2.946 -6.713 1.00 0.00 C ATOM 232 C LYS A 565 -17.302 1.845 -5.902 1.00 0.00 C ATOM 233 O LYS A 565 -16.194 1.404 -6.196 1.00 0.00 O ATOM 234 CB LYS A 565 -17.923 4.233 -5.880 1.00 0.00 C ATOM 235 CG LYS A 565 -18.633 5.404 -6.516 1.00 0.00 C ATOM 236 CD LYS A 565 -18.716 6.603 -5.579 1.00 0.00 C ATOM 237 CE LYS A 565 -17.401 7.374 -5.497 1.00 0.00 C ATOM 238 NZ LYS A 565 -16.353 6.675 -4.699 1.00 0.00 N ATOM 0 H LYS A 565 -20.019 3.298 -6.840 1.00 0.00 H new ATOM 0 HA LYS A 565 -17.419 3.101 -7.649 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -18.375 4.034 -4.908 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -16.884 4.508 -5.698 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -18.110 5.693 -7.428 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -19.639 5.102 -6.808 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -19.505 7.273 -5.921 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -18.996 6.262 -4.582 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -17.025 7.545 -6.506 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -17.589 8.353 -5.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -15.870 7.361 -4.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -16.796 5.938 -4.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -15.662 6.238 -5.341 1.00 0.00 H new ATOM 252 N LEU A 566 -18.031 1.386 -4.905 1.00 0.00 N ATOM 253 CA LEU A 566 -17.526 0.418 -3.958 1.00 0.00 C ATOM 254 C LEU A 566 -17.609 -0.975 -4.552 1.00 0.00 C ATOM 255 O LEU A 566 -16.899 -1.885 -4.131 1.00 0.00 O ATOM 256 CB LEU A 566 -18.326 0.483 -2.666 1.00 0.00 C ATOM 257 CG LEU A 566 -18.846 1.869 -2.280 1.00 0.00 C ATOM 258 CD1 LEU A 566 -19.440 1.807 -0.899 1.00 0.00 C ATOM 259 CD2 LEU A 566 -17.756 2.935 -2.348 1.00 0.00 C ATOM 0 H LEU A 566 -18.993 1.676 -4.730 1.00 0.00 H new ATOM 0 HA LEU A 566 -16.484 0.649 -3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -19.176 -0.194 -2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -17.702 0.110 -1.854 1.00 0.00 H new ATOM 0 HG LEU A 566 -19.611 2.158 -3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -19.812 2.792 -0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -20.262 1.092 -0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -18.676 1.492 -0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -18.174 3.901 -2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -16.949 2.674 -1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -17.366 2.992 -3.364 1.00 0.00 H new ATOM 271 N GLN A 567 -18.482 -1.124 -5.537 1.00 0.00 N ATOM 272 CA GLN A 567 -18.589 -2.368 -6.276 1.00 0.00 C ATOM 273 C GLN A 567 -17.271 -2.672 -6.963 1.00 0.00 C ATOM 274 O GLN A 567 -16.807 -3.803 -6.953 1.00 0.00 O ATOM 275 CB GLN A 567 -19.728 -2.301 -7.303 1.00 0.00 C ATOM 276 CG GLN A 567 -21.104 -2.303 -6.665 1.00 0.00 C ATOM 277 CD GLN A 567 -22.219 -2.354 -7.684 1.00 0.00 C ATOM 278 OE1 GLN A 567 -22.062 -2.913 -8.765 1.00 0.00 O ATOM 279 NE2 GLN A 567 -23.357 -1.775 -7.342 1.00 0.00 N ATOM 0 H GLN A 567 -19.127 -0.395 -5.842 1.00 0.00 H new ATOM 0 HA GLN A 567 -18.819 -3.170 -5.575 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -19.614 -1.399 -7.905 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -19.648 -3.150 -7.982 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -21.189 -3.160 -5.996 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -21.217 -1.408 -6.053 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -23.445 -1.321 -6.433 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -24.147 -1.782 -7.987 1.00 0.00 H new ATOM 288 N ARG A 568 -16.676 -1.654 -7.563 1.00 0.00 N ATOM 289 CA ARG A 568 -15.363 -1.800 -8.175 1.00 0.00 C ATOM 290 C ARG A 568 -14.263 -1.612 -7.148 1.00 0.00 C ATOM 291 O ARG A 568 -13.197 -2.221 -7.252 1.00 0.00 O ATOM 292 CB ARG A 568 -15.202 -0.833 -9.345 1.00 0.00 C ATOM 293 CG ARG A 568 -15.637 -1.448 -10.656 1.00 0.00 C ATOM 294 CD ARG A 568 -17.040 -2.017 -10.542 1.00 0.00 C ATOM 295 NE ARG A 568 -17.371 -2.895 -11.664 1.00 0.00 N ATOM 296 CZ ARG A 568 -17.436 -4.227 -11.572 1.00 0.00 C ATOM 297 NH1 ARG A 568 -17.241 -4.829 -10.401 1.00 0.00 N ATOM 298 NH2 ARG A 568 -17.698 -4.954 -12.649 1.00 0.00 N ATOM 0 H ARG A 568 -17.079 -0.720 -7.640 1.00 0.00 H new ATOM 0 HA ARG A 568 -15.279 -2.814 -8.566 1.00 0.00 H new ATOM 0 HB2 ARG A 568 -15.788 0.066 -9.155 1.00 0.00 H new ATOM 0 HB3 ARG A 568 -14.159 -0.524 -9.418 1.00 0.00 H new ATOM 0 HG2 ARG A 568 -15.607 -0.696 -11.444 1.00 0.00 H new ATOM 0 HG3 ARG A 568 -14.941 -2.237 -10.942 1.00 0.00 H new ATOM 0 HD2 ARG A 568 -17.131 -2.573 -9.609 1.00 0.00 H new ATOM 0 HD3 ARG A 568 -17.760 -1.200 -10.497 1.00 0.00 H new ATOM 0 HE ARG A 568 -17.563 -2.466 -12.569 1.00 0.00 H new ATOM 0 HH11 ARG A 568 -17.041 -4.274 -9.569 1.00 0.00 H new ATOM 0 HH12 ARG A 568 -17.292 -5.846 -10.336 1.00 0.00 H new ATOM 0 HH21 ARG A 568 -17.850 -4.497 -13.548 1.00 0.00 H new ATOM 0 HH22 ARG A 568 -17.748 -5.970 -12.579 1.00 0.00 H new ATOM 312 N GLU A 569 -14.537 -0.781 -6.152 1.00 0.00 N ATOM 313 CA GLU A 569 -13.601 -0.543 -5.068 1.00 0.00 C ATOM 314 C GLU A 569 -13.227 -1.866 -4.406 1.00 0.00 C ATOM 315 O GLU A 569 -12.063 -2.250 -4.386 1.00 0.00 O ATOM 316 CB GLU A 569 -14.223 0.405 -4.034 1.00 0.00 C ATOM 317 CG GLU A 569 -13.212 1.087 -3.131 1.00 0.00 C ATOM 318 CD GLU A 569 -12.575 2.290 -3.792 1.00 0.00 C ATOM 319 OE1 GLU A 569 -11.557 2.122 -4.493 1.00 0.00 O ATOM 320 OE2 GLU A 569 -13.107 3.409 -3.621 1.00 0.00 O ATOM 0 H GLU A 569 -15.409 -0.257 -6.075 1.00 0.00 H new ATOM 0 HA GLU A 569 -12.700 -0.081 -5.472 1.00 0.00 H new ATOM 0 HB2 GLU A 569 -14.800 1.168 -4.557 1.00 0.00 H new ATOM 0 HB3 GLU A 569 -14.924 -0.157 -3.417 1.00 0.00 H new ATOM 0 HG2 GLU A 569 -13.703 1.399 -2.209 1.00 0.00 H new ATOM 0 HG3 GLU A 569 -12.436 0.374 -2.853 1.00 0.00 H new ATOM 327 N LEU A 570 -14.236 -2.587 -3.926 1.00 0.00 N ATOM 328 CA LEU A 570 -14.024 -3.816 -3.163 1.00 0.00 C ATOM 329 C LEU A 570 -13.477 -4.944 -4.036 1.00 0.00 C ATOM 330 O LEU A 570 -12.990 -5.948 -3.529 1.00 0.00 O ATOM 331 CB LEU A 570 -15.322 -4.249 -2.478 1.00 0.00 C ATOM 332 CG LEU A 570 -15.187 -4.558 -0.985 1.00 0.00 C ATOM 333 CD1 LEU A 570 -16.546 -4.833 -0.372 1.00 0.00 C ATOM 334 CD2 LEU A 570 -14.263 -5.740 -0.757 1.00 0.00 C ATOM 0 H LEU A 570 -15.217 -2.340 -4.053 1.00 0.00 H new ATOM 0 HA LEU A 570 -13.274 -3.603 -2.401 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -16.064 -3.461 -2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -15.706 -5.134 -2.985 1.00 0.00 H new ATOM 0 HG LEU A 570 -14.754 -3.683 -0.500 1.00 0.00 H new ATOM 0 HD11 LEU A 570 -16.429 -5.051 0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -17.184 -3.958 -0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 570 -17.003 -5.688 -0.869 1.00 0.00 H new ATOM 0 HD21 LEU A 570 -14.184 -5.939 0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 570 -14.665 -6.619 -1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 570 -13.275 -5.512 -1.158 1.00 0.00 H new ATOM 346 N GLU A 571 -13.588 -4.803 -5.342 1.00 0.00 N ATOM 347 CA GLU A 571 -13.038 -5.805 -6.249 1.00 0.00 C ATOM 348 C GLU A 571 -11.524 -5.691 -6.351 1.00 0.00 C ATOM 349 O GLU A 571 -10.807 -6.687 -6.268 1.00 0.00 O ATOM 350 CB GLU A 571 -13.658 -5.680 -7.637 1.00 0.00 C ATOM 351 CG GLU A 571 -15.120 -6.080 -7.688 1.00 0.00 C ATOM 352 CD GLU A 571 -15.368 -7.479 -7.166 1.00 0.00 C ATOM 353 OE1 GLU A 571 -15.611 -7.630 -5.948 1.00 0.00 O ATOM 354 OE2 GLU A 571 -15.343 -8.428 -7.972 1.00 0.00 O ATOM 0 H GLU A 571 -14.047 -4.016 -5.800 1.00 0.00 H new ATOM 0 HA GLU A 571 -13.283 -6.784 -5.837 1.00 0.00 H new ATOM 0 HB2 GLU A 571 -13.560 -4.649 -7.978 1.00 0.00 H new ATOM 0 HB3 GLU A 571 -13.096 -6.301 -8.334 1.00 0.00 H new ATOM 0 HG2 GLU A 571 -15.706 -5.371 -7.103 1.00 0.00 H new ATOM 0 HG3 GLU A 571 -15.474 -6.014 -8.717 1.00 0.00 H new ATOM 361 N GLN A 572 -11.043 -4.476 -6.520 1.00 0.00 N ATOM 362 CA GLN A 572 -9.629 -4.248 -6.756 1.00 0.00 C ATOM 363 C GLN A 572 -8.872 -3.988 -5.449 1.00 0.00 C ATOM 364 O GLN A 572 -7.649 -4.107 -5.392 1.00 0.00 O ATOM 365 CB GLN A 572 -9.464 -3.061 -7.710 1.00 0.00 C ATOM 366 CG GLN A 572 -10.371 -3.119 -8.942 1.00 0.00 C ATOM 367 CD GLN A 572 -9.924 -4.129 -9.993 1.00 0.00 C ATOM 368 OE1 GLN A 572 -10.135 -3.923 -11.188 1.00 0.00 O ATOM 369 NE2 GLN A 572 -9.324 -5.228 -9.569 1.00 0.00 N ATOM 0 H GLN A 572 -11.611 -3.629 -6.498 1.00 0.00 H new ATOM 0 HA GLN A 572 -9.204 -5.146 -7.204 1.00 0.00 H new ATOM 0 HB2 GLN A 572 -9.668 -2.139 -7.165 1.00 0.00 H new ATOM 0 HB3 GLN A 572 -8.426 -3.014 -8.038 1.00 0.00 H new ATOM 0 HG2 GLN A 572 -11.384 -3.365 -8.624 1.00 0.00 H new ATOM 0 HG3 GLN A 572 -10.412 -2.130 -9.398 1.00 0.00 H new ATOM 0 HE21 GLN A 572 -9.164 -5.369 -8.572 1.00 0.00 H new ATOM 0 HE22 GLN A 572 -9.021 -5.935 -10.239 1.00 0.00 H new ATOM 378 N LEU A 573 -9.614 -3.666 -4.402 1.00 0.00 N ATOM 379 CA LEU A 573 -9.047 -3.256 -3.122 1.00 0.00 C ATOM 380 C LEU A 573 -8.304 -4.390 -2.393 1.00 0.00 C ATOM 381 O LEU A 573 -7.160 -4.196 -2.002 1.00 0.00 O ATOM 382 CB LEU A 573 -10.173 -2.661 -2.277 1.00 0.00 C ATOM 383 CG LEU A 573 -9.885 -2.424 -0.809 1.00 0.00 C ATOM 384 CD1 LEU A 573 -8.621 -1.618 -0.618 1.00 0.00 C ATOM 385 CD2 LEU A 573 -11.063 -1.718 -0.168 1.00 0.00 C ATOM 0 H LEU A 573 -10.634 -3.681 -4.414 1.00 0.00 H new ATOM 0 HA LEU A 573 -8.278 -2.504 -3.300 1.00 0.00 H new ATOM 0 HB2 LEU A 573 -10.463 -1.709 -2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 573 -11.036 -3.323 -2.349 1.00 0.00 H new ATOM 0 HG LEU A 573 -9.735 -3.390 -0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 573 -8.444 -1.466 0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 573 -7.778 -2.155 -1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 573 -8.728 -0.651 -1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 573 -10.855 -1.548 0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 573 -11.228 -0.761 -0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 573 -11.955 -2.336 -0.267 1.00 0.00 H new ATOM 397 N PRO A 574 -8.916 -5.569 -2.174 1.00 0.00 N ATOM 398 CA PRO A 574 -8.212 -6.710 -1.565 1.00 0.00 C ATOM 399 C PRO A 574 -6.903 -7.033 -2.282 1.00 0.00 C ATOM 400 O PRO A 574 -5.883 -7.310 -1.646 1.00 0.00 O ATOM 401 CB PRO A 574 -9.202 -7.859 -1.723 1.00 0.00 C ATOM 402 CG PRO A 574 -10.531 -7.200 -1.747 1.00 0.00 C ATOM 403 CD PRO A 574 -10.325 -5.887 -2.444 1.00 0.00 C ATOM 0 HA PRO A 574 -7.929 -6.511 -0.531 1.00 0.00 H new ATOM 0 HB2 PRO A 574 -9.019 -8.418 -2.641 1.00 0.00 H new ATOM 0 HB3 PRO A 574 -9.124 -8.567 -0.898 1.00 0.00 H new ATOM 0 HG2 PRO A 574 -11.262 -7.813 -2.275 1.00 0.00 H new ATOM 0 HG3 PRO A 574 -10.912 -7.051 -0.737 1.00 0.00 H new ATOM 0 HD2 PRO A 574 -10.520 -5.966 -3.513 1.00 0.00 H new ATOM 0 HD3 PRO A 574 -10.991 -5.117 -2.054 1.00 0.00 H new ATOM 411 N GLN A 575 -6.935 -6.984 -3.613 1.00 0.00 N ATOM 412 CA GLN A 575 -5.739 -7.200 -4.423 1.00 0.00 C ATOM 413 C GLN A 575 -4.724 -6.111 -4.125 1.00 0.00 C ATOM 414 O GLN A 575 -3.530 -6.360 -3.993 1.00 0.00 O ATOM 415 CB GLN A 575 -6.079 -7.148 -5.907 1.00 0.00 C ATOM 416 CG GLN A 575 -7.270 -7.994 -6.312 1.00 0.00 C ATOM 417 CD GLN A 575 -7.630 -7.779 -7.764 1.00 0.00 C ATOM 418 OE1 GLN A 575 -7.377 -6.710 -8.318 1.00 0.00 O ATOM 419 NE2 GLN A 575 -8.224 -8.778 -8.390 1.00 0.00 N ATOM 0 H GLN A 575 -7.779 -6.796 -4.154 1.00 0.00 H new ATOM 0 HA GLN A 575 -5.331 -8.181 -4.179 1.00 0.00 H new ATOM 0 HB2 GLN A 575 -6.274 -6.112 -6.185 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -5.209 -7.473 -6.477 1.00 0.00 H new ATOM 0 HG2 GLN A 575 -7.045 -9.047 -6.143 1.00 0.00 H new ATOM 0 HG3 GLN A 575 -8.125 -7.746 -5.683 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -8.416 -9.648 -7.894 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -8.491 -8.679 -9.370 1.00 0.00 H new ATOM 428 N LEU A 576 -5.235 -4.900 -4.025 1.00 0.00 N ATOM 429 CA LEU A 576 -4.433 -3.730 -3.736 1.00 0.00 C ATOM 430 C LEU A 576 -3.795 -3.815 -2.347 1.00 0.00 C ATOM 431 O LEU A 576 -2.683 -3.343 -2.145 1.00 0.00 O ATOM 432 CB LEU A 576 -5.314 -2.493 -3.848 1.00 0.00 C ATOM 433 CG LEU A 576 -4.712 -1.216 -3.294 1.00 0.00 C ATOM 434 CD1 LEU A 576 -3.738 -0.598 -4.287 1.00 0.00 C ATOM 435 CD2 LEU A 576 -5.813 -0.239 -2.913 1.00 0.00 C ATOM 0 H LEU A 576 -6.228 -4.700 -4.143 1.00 0.00 H new ATOM 0 HA LEU A 576 -3.618 -3.671 -4.458 1.00 0.00 H new ATOM 0 HB2 LEU A 576 -5.557 -2.334 -4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 576 -6.253 -2.688 -3.329 1.00 0.00 H new ATOM 0 HG LEU A 576 -4.147 -1.458 -2.394 1.00 0.00 H new ATOM 0 HD11 LEU A 576 -3.320 0.316 -3.866 1.00 0.00 H new ATOM 0 HD12 LEU A 576 -2.933 -1.303 -4.494 1.00 0.00 H new ATOM 0 HD13 LEU A 576 -4.262 -0.364 -5.213 1.00 0.00 H new ATOM 0 HD21 LEU A 576 -5.368 0.674 -2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 576 -6.408 0.000 -3.794 1.00 0.00 H new ATOM 0 HD23 LEU A 576 -6.453 -0.690 -2.155 1.00 0.00 H new ATOM 447 N LEU A 577 -4.496 -4.410 -1.395 1.00 0.00 N ATOM 448 CA LEU A 577 -3.950 -4.591 -0.056 1.00 0.00 C ATOM 449 C LEU A 577 -2.748 -5.510 -0.083 1.00 0.00 C ATOM 450 O LEU A 577 -1.668 -5.141 0.375 1.00 0.00 O ATOM 451 CB LEU A 577 -5.005 -5.148 0.897 1.00 0.00 C ATOM 452 CG LEU A 577 -5.834 -4.109 1.660 1.00 0.00 C ATOM 453 CD1 LEU A 577 -5.494 -2.681 1.233 1.00 0.00 C ATOM 454 CD2 LEU A 577 -7.321 -4.388 1.491 1.00 0.00 C ATOM 0 H LEU A 577 -5.440 -4.775 -1.522 1.00 0.00 H new ATOM 0 HA LEU A 577 -3.637 -3.611 0.305 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.686 -5.779 0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -4.508 -5.791 1.623 1.00 0.00 H new ATOM 0 HG LEU A 577 -5.580 -4.196 2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -6.104 -1.977 1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -4.440 -2.484 1.427 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -5.695 -2.562 0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -7.896 -3.641 2.039 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -7.582 -4.343 0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -7.551 -5.380 1.879 1.00 0.00 H new ATOM 466 N GLU A 578 -2.928 -6.698 -0.635 1.00 0.00 N ATOM 467 CA GLU A 578 -1.828 -7.643 -0.745 1.00 0.00 C ATOM 468 C GLU A 578 -0.750 -7.084 -1.671 1.00 0.00 C ATOM 469 O GLU A 578 0.408 -7.497 -1.617 1.00 0.00 O ATOM 470 CB GLU A 578 -2.320 -9.008 -1.237 1.00 0.00 C ATOM 471 CG GLU A 578 -3.039 -8.959 -2.572 1.00 0.00 C ATOM 472 CD GLU A 578 -3.512 -10.318 -3.034 1.00 0.00 C ATOM 473 OE1 GLU A 578 -2.717 -11.042 -3.671 1.00 0.00 O ATOM 474 OE2 GLU A 578 -4.682 -10.667 -2.774 1.00 0.00 O ATOM 0 H GLU A 578 -3.816 -7.030 -1.011 1.00 0.00 H new ATOM 0 HA GLU A 578 -1.396 -7.788 0.245 1.00 0.00 H new ATOM 0 HB2 GLU A 578 -1.467 -9.682 -1.319 1.00 0.00 H new ATOM 0 HB3 GLU A 578 -2.991 -9.432 -0.490 1.00 0.00 H new ATOM 0 HG2 GLU A 578 -3.895 -8.289 -2.494 1.00 0.00 H new ATOM 0 HG3 GLU A 578 -2.372 -8.537 -3.323 1.00 0.00 H new ATOM 481 N ASP A 579 -1.147 -6.134 -2.515 1.00 0.00 N ATOM 482 CA ASP A 579 -0.214 -5.422 -3.382 1.00 0.00 C ATOM 483 C ASP A 579 0.683 -4.532 -2.548 1.00 0.00 C ATOM 484 O ASP A 579 1.898 -4.674 -2.551 1.00 0.00 O ATOM 485 CB ASP A 579 -0.963 -4.528 -4.376 1.00 0.00 C ATOM 486 CG ASP A 579 -0.228 -4.356 -5.689 1.00 0.00 C ATOM 487 OD1 ASP A 579 0.892 -3.807 -5.678 1.00 0.00 O ATOM 488 OD2 ASP A 579 -0.779 -4.744 -6.743 1.00 0.00 O ATOM 0 H ASP A 579 -2.118 -5.838 -2.616 1.00 0.00 H new ATOM 0 HA ASP A 579 0.370 -6.167 -3.923 1.00 0.00 H new ATOM 0 HB2 ASP A 579 -1.947 -4.955 -4.570 1.00 0.00 H new ATOM 0 HB3 ASP A 579 -1.124 -3.549 -3.925 1.00 0.00 H new ATOM 493 N LEU A 580 0.051 -3.618 -1.826 1.00 0.00 N ATOM 494 CA LEU A 580 0.747 -2.607 -1.042 1.00 0.00 C ATOM 495 C LEU A 580 1.530 -3.226 0.098 1.00 0.00 C ATOM 496 O LEU A 580 2.598 -2.742 0.456 1.00 0.00 O ATOM 497 CB LEU A 580 -0.257 -1.612 -0.480 1.00 0.00 C ATOM 498 CG LEU A 580 -1.105 -0.907 -1.527 1.00 0.00 C ATOM 499 CD1 LEU A 580 -2.238 -0.157 -0.856 1.00 0.00 C ATOM 500 CD2 LEU A 580 -0.250 0.032 -2.365 1.00 0.00 C ATOM 0 H LEU A 580 -0.965 -3.556 -1.767 1.00 0.00 H new ATOM 0 HA LEU A 580 1.450 -2.099 -1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 580 -0.918 -2.134 0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 580 0.281 -0.861 0.099 1.00 0.00 H new ATOM 0 HG LEU A 580 -1.533 -1.654 -2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 580 -2.841 0.345 -1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 580 -2.862 -0.859 -0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 580 -1.828 0.583 -0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 580 -0.875 0.527 -3.108 1.00 0.00 H new ATOM 0 HD22 LEU A 580 0.208 0.781 -1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 580 0.530 -0.539 -2.869 1.00 0.00 H new ATOM 512 N GLU A 581 0.992 -4.284 0.675 1.00 0.00 N ATOM 513 CA GLU A 581 1.666 -4.968 1.760 1.00 0.00 C ATOM 514 C GLU A 581 2.953 -5.593 1.255 1.00 0.00 C ATOM 515 O GLU A 581 4.023 -5.405 1.836 1.00 0.00 O ATOM 516 CB GLU A 581 0.771 -6.044 2.350 1.00 0.00 C ATOM 517 CG GLU A 581 1.293 -6.585 3.664 1.00 0.00 C ATOM 518 CD GLU A 581 0.418 -7.678 4.229 1.00 0.00 C ATOM 519 OE1 GLU A 581 0.470 -8.816 3.710 1.00 0.00 O ATOM 520 OE2 GLU A 581 -0.340 -7.400 5.182 1.00 0.00 O ATOM 0 H GLU A 581 0.093 -4.687 0.411 1.00 0.00 H new ATOM 0 HA GLU A 581 1.897 -4.240 2.538 1.00 0.00 H new ATOM 0 HB2 GLU A 581 -0.228 -5.636 2.501 1.00 0.00 H new ATOM 0 HB3 GLU A 581 0.676 -6.863 1.637 1.00 0.00 H new ATOM 0 HG2 GLU A 581 2.302 -6.971 3.519 1.00 0.00 H new ATOM 0 HG3 GLU A 581 1.363 -5.771 4.386 1.00 0.00 H new ATOM 527 N ALA A 582 2.842 -6.325 0.153 1.00 0.00 N ATOM 528 CA ALA A 582 4.003 -6.938 -0.476 1.00 0.00 C ATOM 529 C ALA A 582 4.917 -5.868 -1.056 1.00 0.00 C ATOM 530 O ALA A 582 6.116 -6.079 -1.226 1.00 0.00 O ATOM 531 CB ALA A 582 3.573 -7.909 -1.560 1.00 0.00 C ATOM 0 H ALA A 582 1.959 -6.508 -0.323 1.00 0.00 H new ATOM 0 HA ALA A 582 4.553 -7.493 0.284 1.00 0.00 H new ATOM 0 HB1 ALA A 582 4.455 -8.357 -2.018 1.00 0.00 H new ATOM 0 HB2 ALA A 582 2.954 -8.692 -1.122 1.00 0.00 H new ATOM 0 HB3 ALA A 582 3.001 -7.376 -2.319 1.00 0.00 H new ATOM 537 N LYS A 583 4.331 -4.720 -1.363 1.00 0.00 N ATOM 538 CA LYS A 583 5.074 -3.576 -1.864 1.00 0.00 C ATOM 539 C LYS A 583 5.937 -3.004 -0.751 1.00 0.00 C ATOM 540 O LYS A 583 7.114 -2.708 -0.949 1.00 0.00 O ATOM 541 CB LYS A 583 4.107 -2.504 -2.387 1.00 0.00 C ATOM 542 CG LYS A 583 4.795 -1.303 -3.014 1.00 0.00 C ATOM 543 CD LYS A 583 3.798 -0.244 -3.454 1.00 0.00 C ATOM 544 CE LYS A 583 4.510 0.938 -4.087 1.00 0.00 C ATOM 545 NZ LYS A 583 3.563 1.971 -4.576 1.00 0.00 N ATOM 0 H LYS A 583 3.328 -4.557 -1.272 1.00 0.00 H new ATOM 0 HA LYS A 583 5.714 -3.897 -2.686 1.00 0.00 H new ATOM 0 HB2 LYS A 583 3.444 -2.956 -3.125 1.00 0.00 H new ATOM 0 HB3 LYS A 583 3.481 -2.162 -1.563 1.00 0.00 H new ATOM 0 HG2 LYS A 583 5.493 -0.869 -2.297 1.00 0.00 H new ATOM 0 HG3 LYS A 583 5.382 -1.628 -3.873 1.00 0.00 H new ATOM 0 HD2 LYS A 583 3.094 -0.674 -4.167 1.00 0.00 H new ATOM 0 HD3 LYS A 583 3.217 0.093 -2.596 1.00 0.00 H new ATOM 0 HE2 LYS A 583 5.186 1.384 -3.358 1.00 0.00 H new ATOM 0 HE3 LYS A 583 5.123 0.588 -4.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 4.096 2.757 -5.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 2.934 1.554 -5.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 2.995 2.326 -3.780 1.00 0.00 H new ATOM 559 N LEU A 584 5.340 -2.871 0.427 1.00 0.00 N ATOM 560 CA LEU A 584 6.049 -2.395 1.598 1.00 0.00 C ATOM 561 C LEU A 584 7.166 -3.367 1.950 1.00 0.00 C ATOM 562 O LEU A 584 8.307 -2.958 2.140 1.00 0.00 O ATOM 563 CB LEU A 584 5.067 -2.217 2.771 1.00 0.00 C ATOM 564 CG LEU A 584 5.649 -1.605 4.052 1.00 0.00 C ATOM 565 CD1 LEU A 584 6.368 -2.660 4.877 1.00 0.00 C ATOM 566 CD2 LEU A 584 6.589 -0.460 3.711 1.00 0.00 C ATOM 0 H LEU A 584 4.358 -3.090 0.592 1.00 0.00 H new ATOM 0 HA LEU A 584 6.497 -1.424 1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 584 4.242 -1.589 2.435 1.00 0.00 H new ATOM 0 HB3 LEU A 584 4.646 -3.192 3.017 1.00 0.00 H new ATOM 0 HG LEU A 584 4.826 -1.212 4.649 1.00 0.00 H new ATOM 0 HD11 LEU A 584 6.772 -2.203 5.780 1.00 0.00 H new ATOM 0 HD12 LEU A 584 5.666 -3.447 5.152 1.00 0.00 H new ATOM 0 HD13 LEU A 584 7.182 -3.087 4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 584 6.994 -0.036 4.630 1.00 0.00 H new ATOM 0 HD22 LEU A 584 7.406 -0.832 3.092 1.00 0.00 H new ATOM 0 HD23 LEU A 584 6.042 0.310 3.166 1.00 0.00 H new ATOM 578 N GLU A 585 6.839 -4.654 2.016 1.00 0.00 N ATOM 579 CA GLU A 585 7.838 -5.684 2.285 1.00 0.00 C ATOM 580 C GLU A 585 8.993 -5.609 1.281 1.00 0.00 C ATOM 581 O GLU A 585 10.158 -5.775 1.644 1.00 0.00 O ATOM 582 CB GLU A 585 7.193 -7.068 2.231 1.00 0.00 C ATOM 583 CG GLU A 585 6.150 -7.306 3.310 1.00 0.00 C ATOM 584 CD GLU A 585 6.732 -7.302 4.711 1.00 0.00 C ATOM 585 OE1 GLU A 585 6.812 -6.219 5.326 1.00 0.00 O ATOM 586 OE2 GLU A 585 7.106 -8.387 5.209 1.00 0.00 O ATOM 0 H GLU A 585 5.891 -5.009 1.887 1.00 0.00 H new ATOM 0 HA GLU A 585 8.240 -5.511 3.283 1.00 0.00 H new ATOM 0 HB2 GLU A 585 6.728 -7.203 1.254 1.00 0.00 H new ATOM 0 HB3 GLU A 585 7.973 -7.825 2.320 1.00 0.00 H new ATOM 0 HG2 GLU A 585 5.381 -6.536 3.240 1.00 0.00 H new ATOM 0 HG3 GLU A 585 5.660 -8.263 3.129 1.00 0.00 H new ATOM 593 N ALA A 586 8.661 -5.334 0.024 1.00 0.00 N ATOM 594 CA ALA A 586 9.656 -5.261 -1.040 1.00 0.00 C ATOM 595 C ALA A 586 10.532 -4.021 -0.895 1.00 0.00 C ATOM 596 O ALA A 586 11.744 -4.072 -1.102 1.00 0.00 O ATOM 597 CB ALA A 586 8.971 -5.259 -2.398 1.00 0.00 C ATOM 0 H ALA A 586 7.705 -5.157 -0.284 1.00 0.00 H new ATOM 0 HA ALA A 586 10.297 -6.139 -0.962 1.00 0.00 H new ATOM 0 HB1 ALA A 586 9.723 -5.204 -3.185 1.00 0.00 H new ATOM 0 HB2 ALA A 586 8.390 -6.174 -2.514 1.00 0.00 H new ATOM 0 HB3 ALA A 586 8.308 -4.397 -2.470 1.00 0.00 H new ATOM 603 N LEU A 587 9.912 -2.909 -0.543 1.00 0.00 N ATOM 604 CA LEU A 587 10.636 -1.658 -0.375 1.00 0.00 C ATOM 605 C LEU A 587 11.455 -1.678 0.914 1.00 0.00 C ATOM 606 O LEU A 587 12.608 -1.262 0.929 1.00 0.00 O ATOM 607 CB LEU A 587 9.655 -0.479 -0.380 1.00 0.00 C ATOM 608 CG LEU A 587 8.896 -0.279 -1.697 1.00 0.00 C ATOM 609 CD1 LEU A 587 7.746 0.697 -1.519 1.00 0.00 C ATOM 610 CD2 LEU A 587 9.838 0.212 -2.782 1.00 0.00 C ATOM 0 H LEU A 587 8.909 -2.845 -0.368 1.00 0.00 H new ATOM 0 HA LEU A 587 11.327 -1.538 -1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 587 8.931 -0.624 0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 587 10.205 0.434 -0.152 1.00 0.00 H new ATOM 0 HG LEU A 587 8.483 -1.242 -1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 587 7.224 0.821 -2.468 1.00 0.00 H new ATOM 0 HD12 LEU A 587 7.053 0.310 -0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 587 8.134 1.661 -1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 587 9.284 0.349 -3.710 1.00 0.00 H new ATOM 0 HD22 LEU A 587 10.279 1.162 -2.479 1.00 0.00 H new ATOM 0 HD23 LEU A 587 10.629 -0.522 -2.937 1.00 0.00 H new ATOM 622 N GLN A 588 10.873 -2.215 1.979 1.00 0.00 N ATOM 623 CA GLN A 588 11.530 -2.245 3.283 1.00 0.00 C ATOM 624 C GLN A 588 12.747 -3.156 3.274 1.00 0.00 C ATOM 625 O GLN A 588 13.667 -2.972 4.066 1.00 0.00 O ATOM 626 CB GLN A 588 10.552 -2.694 4.373 1.00 0.00 C ATOM 627 CG GLN A 588 9.749 -1.557 4.982 1.00 0.00 C ATOM 628 CD GLN A 588 10.572 -0.710 5.937 1.00 0.00 C ATOM 629 OE1 GLN A 588 11.794 -0.614 5.813 1.00 0.00 O ATOM 630 NE2 GLN A 588 9.906 -0.067 6.883 1.00 0.00 N ATOM 0 H GLN A 588 9.945 -2.637 1.967 1.00 0.00 H new ATOM 0 HA GLN A 588 11.865 -1.231 3.501 1.00 0.00 H new ATOM 0 HB2 GLN A 588 9.864 -3.427 3.952 1.00 0.00 H new ATOM 0 HB3 GLN A 588 11.109 -3.197 5.163 1.00 0.00 H new ATOM 0 HG2 GLN A 588 9.359 -0.924 4.185 1.00 0.00 H new ATOM 0 HG3 GLN A 588 8.890 -1.967 5.513 1.00 0.00 H new ATOM 0 HE21 GLN A 588 8.894 -0.171 6.955 1.00 0.00 H new ATOM 0 HE22 GLN A 588 10.405 0.533 7.540 1.00 0.00 H new ATOM 639 N THR A 589 12.764 -4.127 2.370 1.00 0.00 N ATOM 640 CA THR A 589 13.857 -5.083 2.322 1.00 0.00 C ATOM 641 C THR A 589 15.023 -4.556 1.489 1.00 0.00 C ATOM 642 O THR A 589 16.168 -4.945 1.708 1.00 0.00 O ATOM 643 CB THR A 589 13.392 -6.463 1.797 1.00 0.00 C ATOM 644 OG1 THR A 589 14.375 -7.463 2.098 1.00 0.00 O ATOM 645 CG2 THR A 589 13.149 -6.445 0.294 1.00 0.00 C ATOM 0 H THR A 589 12.039 -4.271 1.667 1.00 0.00 H new ATOM 0 HA THR A 589 14.205 -5.217 3.346 1.00 0.00 H new ATOM 0 HB THR A 589 12.452 -6.698 2.296 1.00 0.00 H new ATOM 0 HG1 THR A 589 14.071 -8.332 1.763 1.00 0.00 H new ATOM 0 HG21 THR A 589 12.824 -7.432 -0.034 1.00 0.00 H new ATOM 0 HG22 THR A 589 12.377 -5.712 0.059 1.00 0.00 H new ATOM 0 HG23 THR A 589 14.072 -6.177 -0.221 1.00 0.00 H new ATOM 653 N GLN A 590 14.747 -3.656 0.549 1.00 0.00 N ATOM 654 CA GLN A 590 15.822 -3.026 -0.207 1.00 0.00 C ATOM 655 C GLN A 590 16.354 -1.833 0.579 1.00 0.00 C ATOM 656 O GLN A 590 17.525 -1.484 0.487 1.00 0.00 O ATOM 657 CB GLN A 590 15.357 -2.613 -1.610 1.00 0.00 C ATOM 658 CG GLN A 590 14.327 -1.497 -1.630 1.00 0.00 C ATOM 659 CD GLN A 590 13.848 -1.177 -3.031 1.00 0.00 C ATOM 660 OE1 GLN A 590 12.855 -1.731 -3.504 1.00 0.00 O ATOM 661 NE2 GLN A 590 14.567 -0.302 -3.715 1.00 0.00 N ATOM 0 H GLN A 590 13.807 -3.352 0.297 1.00 0.00 H new ATOM 0 HA GLN A 590 16.627 -3.747 -0.347 1.00 0.00 H new ATOM 0 HB2 GLN A 590 16.226 -2.299 -2.189 1.00 0.00 H new ATOM 0 HB3 GLN A 590 14.938 -3.486 -2.112 1.00 0.00 H new ATOM 0 HG2 GLN A 590 13.474 -1.782 -1.014 1.00 0.00 H new ATOM 0 HG3 GLN A 590 14.758 -0.601 -1.183 1.00 0.00 H new ATOM 0 HE21 GLN A 590 15.383 0.134 -3.286 1.00 0.00 H new ATOM 0 HE22 GLN A 590 14.305 -0.064 -4.672 1.00 0.00 H new ATOM 670 N VAL A 591 15.472 -1.232 1.371 1.00 0.00 N ATOM 671 CA VAL A 591 15.851 -0.184 2.313 1.00 0.00 C ATOM 672 C VAL A 591 16.559 -0.808 3.518 1.00 0.00 C ATOM 673 O VAL A 591 17.267 -0.132 4.267 1.00 0.00 O ATOM 674 CB VAL A 591 14.594 0.608 2.766 1.00 0.00 C ATOM 675 CG1 VAL A 591 14.903 1.601 3.875 1.00 0.00 C ATOM 676 CG2 VAL A 591 13.979 1.334 1.582 1.00 0.00 C ATOM 0 H VAL A 591 14.477 -1.457 1.378 1.00 0.00 H new ATOM 0 HA VAL A 591 16.535 0.510 1.824 1.00 0.00 H new ATOM 0 HB VAL A 591 13.885 -0.117 3.165 1.00 0.00 H new ATOM 0 HG11 VAL A 591 13.991 2.129 4.155 1.00 0.00 H new ATOM 0 HG12 VAL A 591 15.295 1.068 4.741 1.00 0.00 H new ATOM 0 HG13 VAL A 591 15.644 2.319 3.524 1.00 0.00 H new ATOM 0 HG21 VAL A 591 13.099 1.886 1.911 1.00 0.00 H new ATOM 0 HG22 VAL A 591 14.707 2.029 1.163 1.00 0.00 H new ATOM 0 HG23 VAL A 591 13.689 0.609 0.821 1.00 0.00 H new ATOM 686 N ALA A 592 16.365 -2.114 3.691 1.00 0.00 N ATOM 687 CA ALA A 592 17.021 -2.857 4.762 1.00 0.00 C ATOM 688 C ALA A 592 18.516 -2.972 4.497 1.00 0.00 C ATOM 689 O ALA A 592 19.321 -3.044 5.425 1.00 0.00 O ATOM 690 CB ALA A 592 16.406 -4.241 4.912 1.00 0.00 C ATOM 0 H ALA A 592 15.756 -2.680 3.100 1.00 0.00 H new ATOM 0 HA ALA A 592 16.874 -2.310 5.693 1.00 0.00 H new ATOM 0 HB1 ALA A 592 16.910 -4.778 5.716 1.00 0.00 H new ATOM 0 HB2 ALA A 592 15.346 -4.145 5.149 1.00 0.00 H new ATOM 0 HB3 ALA A 592 16.521 -4.793 3.979 1.00 0.00 H new ATOM 696 N ASP A 593 18.870 -2.994 3.217 1.00 0.00 N ATOM 697 CA ASP A 593 20.265 -3.061 2.802 1.00 0.00 C ATOM 698 C ASP A 593 21.020 -1.818 3.260 1.00 0.00 C ATOM 699 O ASP A 593 20.581 -0.692 3.032 1.00 0.00 O ATOM 700 CB ASP A 593 20.357 -3.201 1.281 1.00 0.00 C ATOM 701 CG ASP A 593 21.782 -3.121 0.771 1.00 0.00 C ATOM 702 OD1 ASP A 593 22.629 -3.915 1.224 1.00 0.00 O ATOM 703 OD2 ASP A 593 22.068 -2.254 -0.081 1.00 0.00 O ATOM 0 H ASP A 593 18.204 -2.966 2.445 1.00 0.00 H new ATOM 0 HA ASP A 593 20.722 -3.935 3.266 1.00 0.00 H new ATOM 0 HB2 ASP A 593 19.921 -4.154 0.981 1.00 0.00 H new ATOM 0 HB3 ASP A 593 19.763 -2.417 0.812 1.00 0.00 H new ATOM 708 N ALA A 594 22.157 -2.034 3.905 1.00 0.00 N ATOM 709 CA ALA A 594 22.952 -0.943 4.451 1.00 0.00 C ATOM 710 C ALA A 594 23.543 -0.082 3.342 1.00 0.00 C ATOM 711 O ALA A 594 23.854 1.089 3.549 1.00 0.00 O ATOM 712 CB ALA A 594 24.057 -1.489 5.339 1.00 0.00 C ATOM 0 H ALA A 594 22.552 -2.961 4.064 1.00 0.00 H new ATOM 0 HA ALA A 594 22.293 -0.315 5.051 1.00 0.00 H new ATOM 0 HB1 ALA A 594 24.643 -0.662 5.740 1.00 0.00 H new ATOM 0 HB2 ALA A 594 23.617 -2.055 6.161 1.00 0.00 H new ATOM 0 HB3 ALA A 594 24.704 -2.143 4.754 1.00 0.00 H new ATOM 718 N SER A 595 23.685 -0.665 2.160 1.00 0.00 N ATOM 719 CA SER A 595 24.255 0.044 1.029 1.00 0.00 C ATOM 720 C SER A 595 23.185 0.833 0.274 1.00 0.00 C ATOM 721 O SER A 595 23.503 1.616 -0.623 1.00 0.00 O ATOM 722 CB SER A 595 24.956 -0.940 0.096 1.00 0.00 C ATOM 723 OG SER A 595 25.977 -1.641 0.789 1.00 0.00 O ATOM 0 H SER A 595 23.412 -1.628 1.962 1.00 0.00 H new ATOM 0 HA SER A 595 24.988 0.758 1.406 1.00 0.00 H new ATOM 0 HB2 SER A 595 24.231 -1.647 -0.308 1.00 0.00 H new ATOM 0 HB3 SER A 595 25.385 -0.405 -0.751 1.00 0.00 H new ATOM 0 HG SER A 595 26.416 -2.269 0.178 1.00 0.00 H new ATOM 729 N PHE A 596 21.920 0.636 0.647 1.00 0.00 N ATOM 730 CA PHE A 596 20.815 1.364 0.029 1.00 0.00 C ATOM 731 C PHE A 596 21.021 2.866 0.159 1.00 0.00 C ATOM 732 O PHE A 596 21.032 3.588 -0.830 1.00 0.00 O ATOM 733 CB PHE A 596 19.476 0.964 0.665 1.00 0.00 C ATOM 734 CG PHE A 596 18.348 1.904 0.331 1.00 0.00 C ATOM 735 CD1 PHE A 596 17.772 1.901 -0.926 1.00 0.00 C ATOM 736 CD2 PHE A 596 17.880 2.803 1.277 1.00 0.00 C ATOM 737 CE1 PHE A 596 16.750 2.778 -1.234 1.00 0.00 C ATOM 738 CE2 PHE A 596 16.863 3.681 0.972 1.00 0.00 C ATOM 739 CZ PHE A 596 16.296 3.669 -0.283 1.00 0.00 C ATOM 0 H PHE A 596 21.637 -0.021 1.374 1.00 0.00 H new ATOM 0 HA PHE A 596 20.792 1.102 -1.029 1.00 0.00 H new ATOM 0 HB2 PHE A 596 19.211 -0.040 0.334 1.00 0.00 H new ATOM 0 HB3 PHE A 596 19.595 0.922 1.748 1.00 0.00 H new ATOM 0 HD1 PHE A 596 18.124 1.206 -1.674 1.00 0.00 H new ATOM 0 HD2 PHE A 596 18.318 2.815 2.264 1.00 0.00 H new ATOM 0 HE1 PHE A 596 16.307 2.766 -2.219 1.00 0.00 H new ATOM 0 HE2 PHE A 596 16.510 4.379 1.717 1.00 0.00 H new ATOM 0 HZ PHE A 596 15.498 4.356 -0.522 1.00 0.00 H new ATOM 749 N PHE A 597 21.219 3.323 1.386 1.00 0.00 N ATOM 750 CA PHE A 597 21.377 4.749 1.666 1.00 0.00 C ATOM 751 C PHE A 597 22.654 5.322 1.042 1.00 0.00 C ATOM 752 O PHE A 597 22.889 6.531 1.098 1.00 0.00 O ATOM 753 CB PHE A 597 21.383 4.989 3.175 1.00 0.00 C ATOM 754 CG PHE A 597 20.102 4.598 3.858 1.00 0.00 C ATOM 755 CD1 PHE A 597 19.021 5.467 3.879 1.00 0.00 C ATOM 756 CD2 PHE A 597 19.977 3.362 4.473 1.00 0.00 C ATOM 757 CE1 PHE A 597 17.842 5.111 4.505 1.00 0.00 C ATOM 758 CE2 PHE A 597 18.798 3.002 5.100 1.00 0.00 C ATOM 759 CZ PHE A 597 17.730 3.876 5.113 1.00 0.00 C ATOM 0 H PHE A 597 21.275 2.726 2.211 1.00 0.00 H new ATOM 0 HA PHE A 597 20.530 5.265 1.214 1.00 0.00 H new ATOM 0 HB2 PHE A 597 22.206 4.429 3.619 1.00 0.00 H new ATOM 0 HB3 PHE A 597 21.577 6.045 3.365 1.00 0.00 H new ATOM 0 HD1 PHE A 597 19.102 6.432 3.401 1.00 0.00 H new ATOM 0 HD2 PHE A 597 20.809 2.673 4.462 1.00 0.00 H new ATOM 0 HE1 PHE A 597 17.009 5.798 4.519 1.00 0.00 H new ATOM 0 HE2 PHE A 597 18.713 2.038 5.579 1.00 0.00 H new ATOM 0 HZ PHE A 597 16.807 3.594 5.598 1.00 0.00 H new ATOM 769 N SER A 598 23.468 4.456 0.447 1.00 0.00 N ATOM 770 CA SER A 598 24.678 4.886 -0.238 1.00 0.00 C ATOM 771 C SER A 598 24.361 5.245 -1.688 1.00 0.00 C ATOM 772 O SER A 598 25.222 5.723 -2.431 1.00 0.00 O ATOM 773 CB SER A 598 25.741 3.785 -0.178 1.00 0.00 C ATOM 774 OG SER A 598 26.937 4.187 -0.821 1.00 0.00 O ATOM 0 H SER A 598 23.309 3.449 0.427 1.00 0.00 H new ATOM 0 HA SER A 598 25.070 5.772 0.262 1.00 0.00 H new ATOM 0 HB2 SER A 598 25.951 3.536 0.862 1.00 0.00 H new ATOM 0 HB3 SER A 598 25.358 2.881 -0.651 1.00 0.00 H new ATOM 0 HG SER A 598 26.738 4.895 -1.469 1.00 0.00 H new ATOM 780 N GLN A 599 23.119 5.004 -2.083 1.00 0.00 N ATOM 781 CA GLN A 599 22.648 5.344 -3.407 1.00 0.00 C ATOM 782 C GLN A 599 22.254 6.814 -3.438 1.00 0.00 C ATOM 783 O GLN A 599 22.093 7.432 -2.383 1.00 0.00 O ATOM 784 CB GLN A 599 21.472 4.434 -3.774 1.00 0.00 C ATOM 785 CG GLN A 599 21.892 2.989 -3.984 1.00 0.00 C ATOM 786 CD GLN A 599 20.732 2.013 -3.985 1.00 0.00 C ATOM 787 OE1 GLN A 599 19.724 2.222 -3.317 1.00 0.00 O ATOM 788 NE2 GLN A 599 20.870 0.933 -4.739 1.00 0.00 N ATOM 0 H GLN A 599 22.413 4.567 -1.490 1.00 0.00 H new ATOM 0 HA GLN A 599 23.436 5.191 -4.144 1.00 0.00 H new ATOM 0 HB2 GLN A 599 20.723 4.479 -2.984 1.00 0.00 H new ATOM 0 HB3 GLN A 599 21.000 4.807 -4.683 1.00 0.00 H new ATOM 0 HG2 GLN A 599 22.424 2.908 -4.932 1.00 0.00 H new ATOM 0 HG3 GLN A 599 22.593 2.706 -3.199 1.00 0.00 H new ATOM 0 HE21 GLN A 599 21.723 0.795 -5.280 1.00 0.00 H new ATOM 0 HE22 GLN A 599 20.123 0.240 -4.778 1.00 0.00 H new ATOM 797 N PRO A 600 22.097 7.403 -4.631 1.00 0.00 N ATOM 798 CA PRO A 600 21.838 8.840 -4.771 1.00 0.00 C ATOM 799 C PRO A 600 20.557 9.264 -4.065 1.00 0.00 C ATOM 800 O PRO A 600 19.576 8.524 -4.036 1.00 0.00 O ATOM 801 CB PRO A 600 21.717 9.030 -6.287 1.00 0.00 C ATOM 802 CG PRO A 600 22.435 7.863 -6.866 1.00 0.00 C ATOM 803 CD PRO A 600 22.139 6.730 -5.941 1.00 0.00 C ATOM 0 HA PRO A 600 22.621 9.448 -4.318 1.00 0.00 H new ATOM 0 HB2 PRO A 600 20.674 9.051 -6.603 1.00 0.00 H new ATOM 0 HB3 PRO A 600 22.166 9.971 -6.606 1.00 0.00 H new ATOM 0 HG2 PRO A 600 22.088 7.648 -7.877 1.00 0.00 H new ATOM 0 HG3 PRO A 600 23.507 8.051 -6.930 1.00 0.00 H new ATOM 0 HD2 PRO A 600 21.193 6.245 -6.180 1.00 0.00 H new ATOM 0 HD3 PRO A 600 22.910 5.961 -5.979 1.00 0.00 H new ATOM 811 N HIS A 601 20.593 10.474 -3.500 1.00 0.00 N ATOM 812 CA HIS A 601 19.467 11.062 -2.766 1.00 0.00 C ATOM 813 C HIS A 601 18.197 10.977 -3.582 1.00 0.00 C ATOM 814 O HIS A 601 17.120 10.734 -3.054 1.00 0.00 O ATOM 815 CB HIS A 601 19.773 12.534 -2.468 1.00 0.00 C ATOM 816 CG HIS A 601 18.773 13.234 -1.597 1.00 0.00 C ATOM 817 ND1 HIS A 601 18.869 13.267 -0.225 1.00 0.00 N ATOM 818 CD2 HIS A 601 17.674 13.959 -1.913 1.00 0.00 C ATOM 819 CE1 HIS A 601 17.876 13.984 0.267 1.00 0.00 C ATOM 820 NE2 HIS A 601 17.138 14.416 -0.736 1.00 0.00 N ATOM 0 H HIS A 601 21.413 11.080 -3.539 1.00 0.00 H new ATOM 0 HA HIS A 601 19.327 10.509 -1.837 1.00 0.00 H new ATOM 0 HB2 HIS A 601 20.751 12.595 -1.991 1.00 0.00 H new ATOM 0 HB3 HIS A 601 19.845 13.071 -3.414 1.00 0.00 H new ATOM 0 HD2 HIS A 601 17.291 14.143 -2.906 1.00 0.00 H new ATOM 0 HE1 HIS A 601 17.698 14.183 1.314 1.00 0.00 H new ATOM 0 HE2 HIS A 601 16.303 14.996 -0.651 1.00 0.00 H new ATOM 829 N GLU A 602 18.347 11.182 -4.872 1.00 0.00 N ATOM 830 CA GLU A 602 17.228 11.210 -5.785 1.00 0.00 C ATOM 831 C GLU A 602 16.599 9.825 -5.932 1.00 0.00 C ATOM 832 O GLU A 602 15.387 9.700 -6.107 1.00 0.00 O ATOM 833 CB GLU A 602 17.693 11.750 -7.137 1.00 0.00 C ATOM 834 CG GLU A 602 18.574 12.992 -7.018 1.00 0.00 C ATOM 835 CD GLU A 602 20.058 12.671 -6.955 1.00 0.00 C ATOM 836 OE1 GLU A 602 20.552 12.318 -5.864 1.00 0.00 O ATOM 837 OE2 GLU A 602 20.743 12.791 -7.991 1.00 0.00 O ATOM 0 H GLU A 602 19.252 11.334 -5.318 1.00 0.00 H new ATOM 0 HA GLU A 602 16.459 11.870 -5.383 1.00 0.00 H new ATOM 0 HB2 GLU A 602 18.245 10.970 -7.662 1.00 0.00 H new ATOM 0 HB3 GLU A 602 16.821 11.988 -7.745 1.00 0.00 H new ATOM 0 HG2 GLU A 602 18.386 13.645 -7.870 1.00 0.00 H new ATOM 0 HG3 GLU A 602 18.291 13.546 -6.123 1.00 0.00 H new ATOM 844 N GLN A 603 17.422 8.782 -5.858 1.00 0.00 N ATOM 845 CA GLN A 603 16.918 7.422 -5.996 1.00 0.00 C ATOM 846 C GLN A 603 16.438 6.898 -4.639 1.00 0.00 C ATOM 847 O GLN A 603 15.388 6.264 -4.540 1.00 0.00 O ATOM 848 CB GLN A 603 17.990 6.496 -6.614 1.00 0.00 C ATOM 849 CG GLN A 603 18.873 5.750 -5.627 1.00 0.00 C ATOM 850 CD GLN A 603 18.383 4.330 -5.381 1.00 0.00 C ATOM 851 OE1 GLN A 603 17.592 4.083 -4.477 1.00 0.00 O ATOM 852 NE2 GLN A 603 18.845 3.388 -6.191 1.00 0.00 N ATOM 0 H GLN A 603 18.428 8.852 -5.705 1.00 0.00 H new ATOM 0 HA GLN A 603 16.067 7.431 -6.677 1.00 0.00 H new ATOM 0 HB2 GLN A 603 17.489 5.765 -7.248 1.00 0.00 H new ATOM 0 HB3 GLN A 603 18.629 7.095 -7.263 1.00 0.00 H new ATOM 0 HG2 GLN A 603 19.895 5.720 -6.006 1.00 0.00 H new ATOM 0 HG3 GLN A 603 18.899 6.293 -4.682 1.00 0.00 H new ATOM 0 HE21 GLN A 603 19.502 3.630 -6.932 1.00 0.00 H new ATOM 0 HE22 GLN A 603 18.543 2.421 -6.073 1.00 0.00 H new ATOM 861 N THR A 604 17.209 7.189 -3.593 1.00 0.00 N ATOM 862 CA THR A 604 16.909 6.703 -2.254 1.00 0.00 C ATOM 863 C THR A 604 15.658 7.351 -1.689 1.00 0.00 C ATOM 864 O THR A 604 14.775 6.660 -1.183 1.00 0.00 O ATOM 865 CB THR A 604 18.081 6.943 -1.285 1.00 0.00 C ATOM 866 OG1 THR A 604 18.634 8.245 -1.505 1.00 0.00 O ATOM 867 CG2 THR A 604 19.166 5.890 -1.454 1.00 0.00 C ATOM 0 H THR A 604 18.050 7.763 -3.651 1.00 0.00 H new ATOM 0 HA THR A 604 16.741 5.630 -2.350 1.00 0.00 H new ATOM 0 HB THR A 604 17.696 6.873 -0.268 1.00 0.00 H new ATOM 0 HG1 THR A 604 19.064 8.273 -2.385 1.00 0.00 H new ATOM 0 HG21 THR A 604 19.978 6.089 -0.755 1.00 0.00 H new ATOM 0 HG22 THR A 604 18.749 4.903 -1.254 1.00 0.00 H new ATOM 0 HG23 THR A 604 19.549 5.923 -2.474 1.00 0.00 H new ATOM 875 N GLN A 605 15.572 8.672 -1.782 1.00 0.00 N ATOM 876 CA GLN A 605 14.401 9.378 -1.288 1.00 0.00 C ATOM 877 C GLN A 605 13.155 8.942 -2.042 1.00 0.00 C ATOM 878 O GLN A 605 12.060 8.947 -1.491 1.00 0.00 O ATOM 879 CB GLN A 605 14.567 10.887 -1.399 1.00 0.00 C ATOM 880 CG GLN A 605 15.543 11.485 -0.404 1.00 0.00 C ATOM 881 CD GLN A 605 15.468 10.849 0.972 1.00 0.00 C ATOM 882 OE1 GLN A 605 16.215 9.924 1.279 1.00 0.00 O ATOM 883 NE2 GLN A 605 14.554 11.331 1.802 1.00 0.00 N ATOM 0 H GLN A 605 16.291 9.269 -2.190 1.00 0.00 H new ATOM 0 HA GLN A 605 14.291 9.124 -0.234 1.00 0.00 H new ATOM 0 HB2 GLN A 605 14.901 11.130 -2.408 1.00 0.00 H new ATOM 0 HB3 GLN A 605 13.594 11.358 -1.263 1.00 0.00 H new ATOM 0 HG2 GLN A 605 16.556 11.377 -0.791 1.00 0.00 H new ATOM 0 HG3 GLN A 605 15.348 12.554 -0.313 1.00 0.00 H new ATOM 0 HE21 GLN A 605 13.953 12.101 1.508 1.00 0.00 H new ATOM 0 HE22 GLN A 605 14.452 10.932 2.735 1.00 0.00 H new ATOM 892 N LYS A 606 13.331 8.572 -3.305 1.00 0.00 N ATOM 893 CA LYS A 606 12.253 8.003 -4.091 1.00 0.00 C ATOM 894 C LYS A 606 11.740 6.745 -3.407 1.00 0.00 C ATOM 895 O LYS A 606 10.550 6.609 -3.149 1.00 0.00 O ATOM 896 CB LYS A 606 12.752 7.682 -5.505 1.00 0.00 C ATOM 897 CG LYS A 606 11.681 7.168 -6.455 1.00 0.00 C ATOM 898 CD LYS A 606 11.480 5.666 -6.323 1.00 0.00 C ATOM 899 CE LYS A 606 10.546 5.119 -7.393 1.00 0.00 C ATOM 900 NZ LYS A 606 9.147 5.604 -7.230 1.00 0.00 N ATOM 0 H LYS A 606 14.216 8.658 -3.805 1.00 0.00 H new ATOM 0 HA LYS A 606 11.437 8.722 -4.169 1.00 0.00 H new ATOM 0 HB2 LYS A 606 13.196 8.581 -5.932 1.00 0.00 H new ATOM 0 HB3 LYS A 606 13.545 6.937 -5.436 1.00 0.00 H new ATOM 0 HG2 LYS A 606 10.740 7.679 -6.252 1.00 0.00 H new ATOM 0 HG3 LYS A 606 11.960 7.408 -7.481 1.00 0.00 H new ATOM 0 HD2 LYS A 606 12.445 5.164 -6.393 1.00 0.00 H new ATOM 0 HD3 LYS A 606 11.074 5.440 -5.337 1.00 0.00 H new ATOM 0 HE2 LYS A 606 10.916 5.409 -8.376 1.00 0.00 H new ATOM 0 HE3 LYS A 606 10.556 4.030 -7.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 8.551 5.204 -7.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 8.782 5.305 -6.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 9.130 6.642 -7.291 1.00 0.00 H new ATOM 914 N VAL A 607 12.662 5.842 -3.100 1.00 0.00 N ATOM 915 CA VAL A 607 12.320 4.572 -2.469 1.00 0.00 C ATOM 916 C VAL A 607 11.767 4.785 -1.063 1.00 0.00 C ATOM 917 O VAL A 607 10.770 4.177 -0.688 1.00 0.00 O ATOM 918 CB VAL A 607 13.535 3.628 -2.401 1.00 0.00 C ATOM 919 CG1 VAL A 607 13.146 2.297 -1.777 1.00 0.00 C ATOM 920 CG2 VAL A 607 14.124 3.412 -3.786 1.00 0.00 C ATOM 0 H VAL A 607 13.659 5.966 -3.279 1.00 0.00 H new ATOM 0 HA VAL A 607 11.552 4.110 -3.089 1.00 0.00 H new ATOM 0 HB VAL A 607 14.293 4.095 -1.772 1.00 0.00 H new ATOM 0 HG11 VAL A 607 14.018 1.645 -1.738 1.00 0.00 H new ATOM 0 HG12 VAL A 607 12.773 2.464 -0.767 1.00 0.00 H new ATOM 0 HG13 VAL A 607 12.368 1.827 -2.378 1.00 0.00 H new ATOM 0 HG21 VAL A 607 14.981 2.742 -3.716 1.00 0.00 H new ATOM 0 HG22 VAL A 607 13.370 2.970 -4.437 1.00 0.00 H new ATOM 0 HG23 VAL A 607 14.444 4.369 -4.199 1.00 0.00 H new ATOM 930 N LEU A 608 12.412 5.651 -0.293 1.00 0.00 N ATOM 931 CA LEU A 608 11.975 5.939 1.069 1.00 0.00 C ATOM 932 C LEU A 608 10.575 6.549 1.077 1.00 0.00 C ATOM 933 O LEU A 608 9.713 6.142 1.860 1.00 0.00 O ATOM 934 CB LEU A 608 12.965 6.880 1.762 1.00 0.00 C ATOM 935 CG LEU A 608 14.357 6.296 2.008 1.00 0.00 C ATOM 936 CD1 LEU A 608 15.248 7.314 2.701 1.00 0.00 C ATOM 937 CD2 LEU A 608 14.264 5.026 2.836 1.00 0.00 C ATOM 0 H LEU A 608 13.241 6.168 -0.588 1.00 0.00 H new ATOM 0 HA LEU A 608 11.941 4.998 1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 608 13.068 7.781 1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 608 12.542 7.185 2.719 1.00 0.00 H new ATOM 0 HG LEU A 608 14.799 6.049 1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 608 16.234 6.881 2.868 1.00 0.00 H new ATOM 0 HD12 LEU A 608 15.343 8.201 2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 608 14.807 7.591 3.658 1.00 0.00 H new ATOM 0 HD21 LEU A 608 15.264 4.625 3.001 1.00 0.00 H new ATOM 0 HD22 LEU A 608 13.801 5.251 3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 608 13.661 4.289 2.306 1.00 0.00 H new ATOM 949 N ALA A 609 10.354 7.515 0.195 1.00 0.00 N ATOM 950 CA ALA A 609 9.051 8.154 0.066 1.00 0.00 C ATOM 951 C ALA A 609 8.016 7.156 -0.445 1.00 0.00 C ATOM 952 O ALA A 609 6.880 7.126 0.025 1.00 0.00 O ATOM 953 CB ALA A 609 9.153 9.355 -0.864 1.00 0.00 C ATOM 0 H ALA A 609 11.063 7.874 -0.444 1.00 0.00 H new ATOM 0 HA ALA A 609 8.727 8.502 1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 609 8.175 9.828 -0.956 1.00 0.00 H new ATOM 0 HB2 ALA A 609 9.866 10.072 -0.456 1.00 0.00 H new ATOM 0 HB3 ALA A 609 9.491 9.026 -1.847 1.00 0.00 H new ATOM 959 N ASP A 610 8.435 6.333 -1.399 1.00 0.00 N ATOM 960 CA ASP A 610 7.582 5.295 -1.975 1.00 0.00 C ATOM 961 C ASP A 610 7.181 4.296 -0.901 1.00 0.00 C ATOM 962 O ASP A 610 6.023 3.896 -0.798 1.00 0.00 O ATOM 963 CB ASP A 610 8.335 4.574 -3.094 1.00 0.00 C ATOM 964 CG ASP A 610 7.429 4.084 -4.202 1.00 0.00 C ATOM 965 OD1 ASP A 610 6.686 3.108 -3.993 1.00 0.00 O ATOM 966 OD2 ASP A 610 7.474 4.668 -5.307 1.00 0.00 O ATOM 0 H ASP A 610 9.374 6.365 -1.796 1.00 0.00 H new ATOM 0 HA ASP A 610 6.683 5.758 -2.383 1.00 0.00 H new ATOM 0 HB2 ASP A 610 9.081 5.249 -3.515 1.00 0.00 H new ATOM 0 HB3 ASP A 610 8.874 3.726 -2.672 1.00 0.00 H new ATOM 971 N MET A 611 8.161 3.911 -0.096 1.00 0.00 N ATOM 972 CA MET A 611 7.956 2.991 1.014 1.00 0.00 C ATOM 973 C MET A 611 6.894 3.508 1.974 1.00 0.00 C ATOM 974 O MET A 611 5.963 2.785 2.334 1.00 0.00 O ATOM 975 CB MET A 611 9.279 2.779 1.750 1.00 0.00 C ATOM 976 CG MET A 611 9.146 2.016 3.054 1.00 0.00 C ATOM 977 SD MET A 611 10.733 1.772 3.871 1.00 0.00 S ATOM 978 CE MET A 611 11.215 3.463 4.206 1.00 0.00 C ATOM 0 H MET A 611 9.125 4.229 -0.195 1.00 0.00 H new ATOM 0 HA MET A 611 7.604 2.040 0.614 1.00 0.00 H new ATOM 0 HB2 MET A 611 9.965 2.241 1.095 1.00 0.00 H new ATOM 0 HB3 MET A 611 9.729 3.751 1.954 1.00 0.00 H new ATOM 0 HG2 MET A 611 8.476 2.557 3.722 1.00 0.00 H new ATOM 0 HG3 MET A 611 8.688 1.046 2.860 1.00 0.00 H new ATOM 0 HE1 MET A 611 11.672 3.522 5.194 1.00 0.00 H new ATOM 0 HE2 MET A 611 11.932 3.793 3.454 1.00 0.00 H new ATOM 0 HE3 MET A 611 10.335 4.105 4.175 1.00 0.00 H new ATOM 988 N ALA A 612 7.030 4.762 2.378 1.00 0.00 N ATOM 989 CA ALA A 612 6.086 5.365 3.304 1.00 0.00 C ATOM 990 C ALA A 612 4.711 5.528 2.659 1.00 0.00 C ATOM 991 O ALA A 612 3.682 5.334 3.308 1.00 0.00 O ATOM 992 CB ALA A 612 6.612 6.705 3.795 1.00 0.00 C ATOM 0 H ALA A 612 7.784 5.380 2.079 1.00 0.00 H new ATOM 0 HA ALA A 612 5.975 4.699 4.160 1.00 0.00 H new ATOM 0 HB1 ALA A 612 5.895 7.146 4.488 1.00 0.00 H new ATOM 0 HB2 ALA A 612 7.565 6.558 4.304 1.00 0.00 H new ATOM 0 HB3 ALA A 612 6.754 7.373 2.946 1.00 0.00 H new ATOM 998 N ALA A 613 4.705 5.864 1.374 1.00 0.00 N ATOM 999 CA ALA A 613 3.461 6.030 0.627 1.00 0.00 C ATOM 1000 C ALA A 613 2.731 4.701 0.477 1.00 0.00 C ATOM 1001 O ALA A 613 1.504 4.658 0.369 1.00 0.00 O ATOM 1002 CB ALA A 613 3.736 6.632 -0.742 1.00 0.00 C ATOM 0 H ALA A 613 5.549 6.027 0.826 1.00 0.00 H new ATOM 0 HA ALA A 613 2.822 6.711 1.189 1.00 0.00 H new ATOM 0 HB1 ALA A 613 2.797 6.748 -1.284 1.00 0.00 H new ATOM 0 HB2 ALA A 613 4.209 7.607 -0.622 1.00 0.00 H new ATOM 0 HB3 ALA A 613 4.399 5.973 -1.303 1.00 0.00 H new ATOM 1008 N ALA A 614 3.498 3.620 0.472 1.00 0.00 N ATOM 1009 CA ALA A 614 2.944 2.282 0.338 1.00 0.00 C ATOM 1010 C ALA A 614 2.195 1.867 1.596 1.00 0.00 C ATOM 1011 O ALA A 614 1.048 1.428 1.527 1.00 0.00 O ATOM 1012 CB ALA A 614 4.050 1.282 0.031 1.00 0.00 C ATOM 0 H ALA A 614 4.514 3.646 0.560 1.00 0.00 H new ATOM 0 HA ALA A 614 2.234 2.293 -0.489 1.00 0.00 H new ATOM 0 HB1 ALA A 614 3.622 0.284 -0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 614 4.542 1.559 -0.901 1.00 0.00 H new ATOM 0 HB3 ALA A 614 4.779 1.286 0.841 1.00 0.00 H new ATOM 1018 N GLU A 615 2.838 2.019 2.746 1.00 0.00 N ATOM 1019 CA GLU A 615 2.234 1.598 4.002 1.00 0.00 C ATOM 1020 C GLU A 615 1.027 2.460 4.354 1.00 0.00 C ATOM 1021 O GLU A 615 0.017 1.941 4.833 1.00 0.00 O ATOM 1022 CB GLU A 615 3.245 1.616 5.148 1.00 0.00 C ATOM 1023 CG GLU A 615 3.948 2.946 5.343 1.00 0.00 C ATOM 1024 CD GLU A 615 4.598 3.049 6.703 1.00 0.00 C ATOM 1025 OE1 GLU A 615 5.614 2.364 6.941 1.00 0.00 O ATOM 1026 OE2 GLU A 615 4.077 3.799 7.556 1.00 0.00 O ATOM 0 H GLU A 615 3.769 2.427 2.835 1.00 0.00 H new ATOM 0 HA GLU A 615 1.897 0.571 3.862 1.00 0.00 H new ATOM 0 HB2 GLU A 615 2.732 1.351 6.073 1.00 0.00 H new ATOM 0 HB3 GLU A 615 3.995 0.846 4.967 1.00 0.00 H new ATOM 0 HG2 GLU A 615 4.705 3.073 4.569 1.00 0.00 H new ATOM 0 HG3 GLU A 615 3.230 3.757 5.222 1.00 0.00 H new ATOM 1033 N GLN A 616 1.126 3.767 4.118 1.00 0.00 N ATOM 1034 CA GLN A 616 0.010 4.663 4.407 1.00 0.00 C ATOM 1035 C GLN A 616 -1.180 4.337 3.511 1.00 0.00 C ATOM 1036 O GLN A 616 -2.329 4.408 3.942 1.00 0.00 O ATOM 1037 CB GLN A 616 0.409 6.140 4.262 1.00 0.00 C ATOM 1038 CG GLN A 616 0.787 6.557 2.850 1.00 0.00 C ATOM 1039 CD GLN A 616 1.105 8.036 2.743 1.00 0.00 C ATOM 1040 OE1 GLN A 616 2.247 8.452 2.927 1.00 0.00 O ATOM 1041 NE2 GLN A 616 0.097 8.834 2.430 1.00 0.00 N ATOM 0 H GLN A 616 1.954 4.223 3.734 1.00 0.00 H new ATOM 0 HA GLN A 616 -0.278 4.505 5.446 1.00 0.00 H new ATOM 0 HB2 GLN A 616 -0.420 6.762 4.601 1.00 0.00 H new ATOM 0 HB3 GLN A 616 1.251 6.342 4.924 1.00 0.00 H new ATOM 0 HG2 GLN A 616 1.652 5.979 2.524 1.00 0.00 H new ATOM 0 HG3 GLN A 616 -0.032 6.315 2.172 1.00 0.00 H new ATOM 0 HE21 GLN A 616 -0.835 8.446 2.286 1.00 0.00 H new ATOM 0 HE22 GLN A 616 0.252 9.837 2.333 1.00 0.00 H new ATOM 1050 N GLU A 617 -0.903 3.954 2.271 1.00 0.00 N ATOM 1051 CA GLU A 617 -1.960 3.545 1.361 1.00 0.00 C ATOM 1052 C GLU A 617 -2.595 2.258 1.858 1.00 0.00 C ATOM 1053 O GLU A 617 -3.817 2.133 1.893 1.00 0.00 O ATOM 1054 CB GLU A 617 -1.412 3.330 -0.048 1.00 0.00 C ATOM 1055 CG GLU A 617 -2.492 3.051 -1.079 1.00 0.00 C ATOM 1056 CD GLU A 617 -3.235 4.297 -1.499 1.00 0.00 C ATOM 1057 OE1 GLU A 617 -2.633 5.146 -2.189 1.00 0.00 O ATOM 1058 OE2 GLU A 617 -4.425 4.437 -1.143 1.00 0.00 O ATOM 0 H GLU A 617 0.037 3.919 1.877 1.00 0.00 H new ATOM 0 HA GLU A 617 -2.708 4.337 1.327 1.00 0.00 H new ATOM 0 HB2 GLU A 617 -0.851 4.214 -0.351 1.00 0.00 H new ATOM 0 HB3 GLU A 617 -0.710 2.496 -0.034 1.00 0.00 H new ATOM 0 HG2 GLU A 617 -2.040 2.590 -1.957 1.00 0.00 H new ATOM 0 HG3 GLU A 617 -3.201 2.331 -0.670 1.00 0.00 H new ATOM 1065 N LEU A 618 -1.745 1.318 2.258 1.00 0.00 N ATOM 1066 CA LEU A 618 -2.182 0.009 2.721 1.00 0.00 C ATOM 1067 C LEU A 618 -3.214 0.122 3.838 1.00 0.00 C ATOM 1068 O LEU A 618 -4.304 -0.437 3.744 1.00 0.00 O ATOM 1069 CB LEU A 618 -0.972 -0.789 3.212 1.00 0.00 C ATOM 1070 CG LEU A 618 -1.275 -2.192 3.737 1.00 0.00 C ATOM 1071 CD1 LEU A 618 -1.885 -3.047 2.647 1.00 0.00 C ATOM 1072 CD2 LEU A 618 -0.011 -2.840 4.270 1.00 0.00 C ATOM 0 H LEU A 618 -0.733 1.444 2.270 1.00 0.00 H new ATOM 0 HA LEU A 618 -2.654 -0.506 1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 618 -0.258 -0.873 2.393 1.00 0.00 H new ATOM 0 HB3 LEU A 618 -0.482 -0.222 4.004 1.00 0.00 H new ATOM 0 HG LEU A 618 -1.994 -2.107 4.552 1.00 0.00 H new ATOM 0 HD11 LEU A 618 -2.094 -4.042 3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 618 -2.813 -2.590 2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 618 -1.188 -3.125 1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 618 -0.242 -3.839 4.640 1.00 0.00 H new ATOM 0 HD22 LEU A 618 0.726 -2.911 3.470 1.00 0.00 H new ATOM 0 HD23 LEU A 618 0.393 -2.236 5.083 1.00 0.00 H new ATOM 1084 N GLU A 619 -2.874 0.862 4.882 1.00 0.00 N ATOM 1085 CA GLU A 619 -3.734 0.971 6.050 1.00 0.00 C ATOM 1086 C GLU A 619 -5.026 1.730 5.737 1.00 0.00 C ATOM 1087 O GLU A 619 -6.102 1.348 6.196 1.00 0.00 O ATOM 1088 CB GLU A 619 -2.981 1.645 7.195 1.00 0.00 C ATOM 1089 CG GLU A 619 -2.343 2.963 6.794 1.00 0.00 C ATOM 1090 CD GLU A 619 -1.470 3.550 7.880 1.00 0.00 C ATOM 1091 OE1 GLU A 619 -0.293 3.144 7.990 1.00 0.00 O ATOM 1092 OE2 GLU A 619 -1.953 4.425 8.629 1.00 0.00 O ATOM 0 H GLU A 619 -2.008 1.397 4.944 1.00 0.00 H new ATOM 0 HA GLU A 619 -4.015 -0.038 6.352 1.00 0.00 H new ATOM 0 HB2 GLU A 619 -3.669 1.818 8.022 1.00 0.00 H new ATOM 0 HB3 GLU A 619 -2.207 0.970 7.560 1.00 0.00 H new ATOM 0 HG2 GLU A 619 -1.744 2.812 5.896 1.00 0.00 H new ATOM 0 HG3 GLU A 619 -3.126 3.677 6.539 1.00 0.00 H new ATOM 1099 N GLN A 620 -4.923 2.795 4.946 1.00 0.00 N ATOM 1100 CA GLN A 620 -6.096 3.587 4.590 1.00 0.00 C ATOM 1101 C GLN A 620 -7.032 2.783 3.700 1.00 0.00 C ATOM 1102 O GLN A 620 -8.256 2.861 3.829 1.00 0.00 O ATOM 1103 CB GLN A 620 -5.690 4.882 3.890 1.00 0.00 C ATOM 1104 CG GLN A 620 -4.910 5.830 4.781 1.00 0.00 C ATOM 1105 CD GLN A 620 -4.521 7.105 4.065 1.00 0.00 C ATOM 1106 OE1 GLN A 620 -3.459 7.186 3.450 1.00 0.00 O ATOM 1107 NE2 GLN A 620 -5.378 8.110 4.136 1.00 0.00 N ATOM 0 H GLN A 620 -4.047 3.127 4.543 1.00 0.00 H new ATOM 0 HA GLN A 620 -6.619 3.844 5.511 1.00 0.00 H new ATOM 0 HB2 GLN A 620 -5.087 4.640 3.015 1.00 0.00 H new ATOM 0 HB3 GLN A 620 -6.586 5.388 3.530 1.00 0.00 H new ATOM 0 HG2 GLN A 620 -5.509 6.077 5.657 1.00 0.00 H new ATOM 0 HG3 GLN A 620 -4.011 5.330 5.141 1.00 0.00 H new ATOM 0 HE21 GLN A 620 -6.249 8.002 4.657 1.00 0.00 H new ATOM 0 HE22 GLN A 620 -5.168 8.993 3.670 1.00 0.00 H new ATOM 1116 N ALA A 621 -6.447 2.002 2.806 1.00 0.00 N ATOM 1117 CA ALA A 621 -7.213 1.138 1.929 1.00 0.00 C ATOM 1118 C ALA A 621 -7.807 -0.024 2.717 1.00 0.00 C ATOM 1119 O ALA A 621 -8.907 -0.483 2.427 1.00 0.00 O ATOM 1120 CB ALA A 621 -6.333 0.634 0.796 1.00 0.00 C ATOM 0 H ALA A 621 -5.437 1.950 2.670 1.00 0.00 H new ATOM 0 HA ALA A 621 -8.035 1.709 1.497 1.00 0.00 H new ATOM 0 HB1 ALA A 621 -6.917 -0.014 0.142 1.00 0.00 H new ATOM 0 HB2 ALA A 621 -5.956 1.482 0.224 1.00 0.00 H new ATOM 0 HB3 ALA A 621 -5.495 0.073 1.209 1.00 0.00 H new ATOM 1126 N PHE A 622 -7.072 -0.481 3.724 1.00 0.00 N ATOM 1127 CA PHE A 622 -7.548 -1.531 4.617 1.00 0.00 C ATOM 1128 C PHE A 622 -8.762 -1.059 5.404 1.00 0.00 C ATOM 1129 O PHE A 622 -9.780 -1.749 5.478 1.00 0.00 O ATOM 1130 CB PHE A 622 -6.443 -1.937 5.583 1.00 0.00 C ATOM 1131 CG PHE A 622 -5.957 -3.336 5.367 1.00 0.00 C ATOM 1132 CD1 PHE A 622 -6.791 -4.419 5.607 1.00 0.00 C ATOM 1133 CD2 PHE A 622 -4.671 -3.568 4.919 1.00 0.00 C ATOM 1134 CE1 PHE A 622 -6.344 -5.711 5.402 1.00 0.00 C ATOM 1135 CE2 PHE A 622 -4.217 -4.857 4.712 1.00 0.00 C ATOM 1136 CZ PHE A 622 -5.056 -5.930 4.954 1.00 0.00 C ATOM 0 H PHE A 622 -6.137 -0.138 3.944 1.00 0.00 H new ATOM 0 HA PHE A 622 -7.834 -2.390 4.010 1.00 0.00 H new ATOM 0 HB2 PHE A 622 -5.605 -1.248 5.477 1.00 0.00 H new ATOM 0 HB3 PHE A 622 -6.809 -1.840 6.605 1.00 0.00 H new ATOM 0 HD1 PHE A 622 -7.799 -4.251 5.957 1.00 0.00 H new ATOM 0 HD2 PHE A 622 -4.013 -2.733 4.728 1.00 0.00 H new ATOM 0 HE1 PHE A 622 -7.001 -6.547 5.592 1.00 0.00 H new ATOM 0 HE2 PHE A 622 -3.209 -5.026 4.362 1.00 0.00 H new ATOM 0 HZ PHE A 622 -4.704 -6.938 4.793 1.00 0.00 H new ATOM 1146 N GLU A 623 -8.635 0.122 5.992 1.00 0.00 N ATOM 1147 CA GLU A 623 -9.732 0.761 6.702 1.00 0.00 C ATOM 1148 C GLU A 623 -10.942 0.917 5.787 1.00 0.00 C ATOM 1149 O GLU A 623 -12.086 0.702 6.200 1.00 0.00 O ATOM 1150 CB GLU A 623 -9.274 2.123 7.209 1.00 0.00 C ATOM 1151 CG GLU A 623 -8.367 2.041 8.423 1.00 0.00 C ATOM 1152 CD GLU A 623 -9.129 1.698 9.683 1.00 0.00 C ATOM 1153 OE1 GLU A 623 -9.748 2.613 10.268 1.00 0.00 O ATOM 1154 OE2 GLU A 623 -9.121 0.518 10.089 1.00 0.00 O ATOM 0 H GLU A 623 -7.770 0.663 5.990 1.00 0.00 H new ATOM 0 HA GLU A 623 -10.024 0.138 7.547 1.00 0.00 H new ATOM 0 HB2 GLU A 623 -8.749 2.643 6.407 1.00 0.00 H new ATOM 0 HB3 GLU A 623 -10.149 2.723 7.459 1.00 0.00 H new ATOM 0 HG2 GLU A 623 -7.598 1.289 8.249 1.00 0.00 H new ATOM 0 HG3 GLU A 623 -7.856 2.994 8.558 1.00 0.00 H new ATOM 1161 N ARG A 624 -10.671 1.286 4.542 1.00 0.00 N ATOM 1162 CA ARG A 624 -11.698 1.374 3.515 1.00 0.00 C ATOM 1163 C ARG A 624 -12.345 0.014 3.303 1.00 0.00 C ATOM 1164 O ARG A 624 -13.567 -0.102 3.244 1.00 0.00 O ATOM 1165 CB ARG A 624 -11.078 1.863 2.200 1.00 0.00 C ATOM 1166 CG ARG A 624 -12.052 1.972 1.042 1.00 0.00 C ATOM 1167 CD ARG A 624 -13.171 2.953 1.343 1.00 0.00 C ATOM 1168 NE ARG A 624 -12.664 4.238 1.826 1.00 0.00 N ATOM 1169 CZ ARG A 624 -13.356 5.371 1.781 1.00 0.00 C ATOM 1170 NH1 ARG A 624 -14.529 5.412 1.160 1.00 0.00 N ATOM 1171 NH2 ARG A 624 -12.847 6.471 2.316 1.00 0.00 N ATOM 0 H ARG A 624 -9.736 1.532 4.217 1.00 0.00 H new ATOM 0 HA ARG A 624 -12.461 2.082 3.839 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -10.625 2.840 2.369 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -10.274 1.183 1.918 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -11.519 2.291 0.146 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -12.475 0.991 0.828 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -13.763 3.113 0.442 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -13.838 2.523 2.091 1.00 0.00 H new ATOM 0 HE ARG A 624 -11.724 4.265 2.220 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -14.901 4.572 0.716 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -15.058 6.283 1.127 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -11.929 6.445 2.759 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -13.373 7.344 2.285 1.00 0.00 H new ATOM 1185 N TRP A 625 -11.506 -1.006 3.217 1.00 0.00 N ATOM 1186 CA TRP A 625 -11.946 -2.354 2.909 1.00 0.00 C ATOM 1187 C TRP A 625 -12.940 -2.883 3.939 1.00 0.00 C ATOM 1188 O TRP A 625 -14.023 -3.346 3.577 1.00 0.00 O ATOM 1189 CB TRP A 625 -10.738 -3.288 2.809 1.00 0.00 C ATOM 1190 CG TRP A 625 -11.126 -4.693 2.504 1.00 0.00 C ATOM 1191 CD1 TRP A 625 -11.456 -5.205 1.286 1.00 0.00 C ATOM 1192 CD2 TRP A 625 -11.240 -5.760 3.442 1.00 0.00 C ATOM 1193 NE1 TRP A 625 -11.789 -6.537 1.417 1.00 0.00 N ATOM 1194 CE2 TRP A 625 -11.657 -6.899 2.735 1.00 0.00 C ATOM 1195 CE3 TRP A 625 -11.032 -5.854 4.816 1.00 0.00 C ATOM 1196 CZ2 TRP A 625 -11.871 -8.125 3.364 1.00 0.00 C ATOM 1197 CZ3 TRP A 625 -11.240 -7.063 5.438 1.00 0.00 C ATOM 1198 CH2 TRP A 625 -11.656 -8.184 4.716 1.00 0.00 C ATOM 0 H TRP A 625 -10.500 -0.921 3.359 1.00 0.00 H new ATOM 0 HA TRP A 625 -12.461 -2.321 1.949 1.00 0.00 H new ATOM 0 HB2 TRP A 625 -10.065 -2.924 2.033 1.00 0.00 H new ATOM 0 HB3 TRP A 625 -10.185 -3.263 3.748 1.00 0.00 H new ATOM 0 HD1 TRP A 625 -11.457 -4.652 0.358 1.00 0.00 H new ATOM 0 HE1 TRP A 625 -12.085 -7.152 0.659 1.00 0.00 H new ATOM 0 HE3 TRP A 625 -10.713 -4.992 5.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 625 -12.193 -8.993 2.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 625 -11.079 -7.147 6.503 1.00 0.00 H new ATOM 0 HH2 TRP A 625 -11.812 -9.118 5.235 1.00 0.00 H new ATOM 1209 N GLU A 626 -12.579 -2.814 5.215 1.00 0.00 N ATOM 1210 CA GLU A 626 -13.446 -3.323 6.268 1.00 0.00 C ATOM 1211 C GLU A 626 -14.769 -2.563 6.282 1.00 0.00 C ATOM 1212 O GLU A 626 -15.833 -3.148 6.495 1.00 0.00 O ATOM 1213 CB GLU A 626 -12.763 -3.226 7.630 1.00 0.00 C ATOM 1214 CG GLU A 626 -11.456 -4.000 7.718 1.00 0.00 C ATOM 1215 CD GLU A 626 -10.965 -4.138 9.142 1.00 0.00 C ATOM 1216 OE1 GLU A 626 -11.441 -5.047 9.853 1.00 0.00 O ATOM 1217 OE2 GLU A 626 -10.105 -3.334 9.560 1.00 0.00 O ATOM 0 H GLU A 626 -11.700 -2.414 5.543 1.00 0.00 H new ATOM 0 HA GLU A 626 -13.649 -4.374 6.063 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -12.569 -2.177 7.855 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -13.445 -3.595 8.395 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -11.594 -4.991 7.286 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -10.696 -3.495 7.121 1.00 0.00 H new ATOM 1224 N TYR A 627 -14.692 -1.260 6.034 1.00 0.00 N ATOM 1225 CA TYR A 627 -15.875 -0.419 5.927 1.00 0.00 C ATOM 1226 C TYR A 627 -16.789 -0.915 4.813 1.00 0.00 C ATOM 1227 O TYR A 627 -18.003 -0.974 4.981 1.00 0.00 O ATOM 1228 CB TYR A 627 -15.453 1.038 5.689 1.00 0.00 C ATOM 1229 CG TYR A 627 -16.467 1.905 4.960 1.00 0.00 C ATOM 1230 CD1 TYR A 627 -17.755 2.106 5.454 1.00 0.00 C ATOM 1231 CD2 TYR A 627 -16.121 2.534 3.770 1.00 0.00 C ATOM 1232 CE1 TYR A 627 -18.658 2.905 4.783 1.00 0.00 C ATOM 1233 CE2 TYR A 627 -17.020 3.338 3.098 1.00 0.00 C ATOM 1234 CZ TYR A 627 -18.286 3.521 3.611 1.00 0.00 C ATOM 1235 OH TYR A 627 -19.185 4.331 2.957 1.00 0.00 O ATOM 0 H TYR A 627 -13.812 -0.761 5.902 1.00 0.00 H new ATOM 0 HA TYR A 627 -16.436 -0.471 6.860 1.00 0.00 H new ATOM 0 HB2 TYR A 627 -15.236 1.497 6.654 1.00 0.00 H new ATOM 0 HB3 TYR A 627 -14.524 1.040 5.119 1.00 0.00 H new ATOM 0 HD1 TYR A 627 -18.051 1.629 6.377 1.00 0.00 H new ATOM 0 HD2 TYR A 627 -15.131 2.391 3.363 1.00 0.00 H new ATOM 0 HE1 TYR A 627 -19.654 3.046 5.177 1.00 0.00 H new ATOM 0 HE2 TYR A 627 -16.733 3.821 2.176 1.00 0.00 H new ATOM 0 HH TYR A 627 -18.770 4.692 2.146 1.00 0.00 H new ATOM 1245 N LEU A 628 -16.197 -1.295 3.693 1.00 0.00 N ATOM 1246 CA LEU A 628 -16.965 -1.750 2.544 1.00 0.00 C ATOM 1247 C LEU A 628 -17.608 -3.103 2.821 1.00 0.00 C ATOM 1248 O LEU A 628 -18.777 -3.314 2.512 1.00 0.00 O ATOM 1249 CB LEU A 628 -16.074 -1.828 1.307 1.00 0.00 C ATOM 1250 CG LEU A 628 -15.348 -0.530 0.956 1.00 0.00 C ATOM 1251 CD1 LEU A 628 -14.466 -0.730 -0.264 1.00 0.00 C ATOM 1252 CD2 LEU A 628 -16.342 0.599 0.722 1.00 0.00 C ATOM 0 H LEU A 628 -15.187 -1.298 3.554 1.00 0.00 H new ATOM 0 HA LEU A 628 -17.760 -1.028 2.358 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -15.333 -2.612 1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -16.685 -2.128 0.455 1.00 0.00 H new ATOM 0 HG LEU A 628 -14.714 -0.253 1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -13.956 0.204 -0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -13.728 -1.504 -0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -15.081 -1.033 -1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -15.803 1.513 0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -17.006 0.334 -0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -16.930 0.759 1.626 1.00 0.00 H new ATOM 1264 N GLU A 629 -16.839 -4.014 3.412 1.00 0.00 N ATOM 1265 CA GLU A 629 -17.364 -5.317 3.813 1.00 0.00 C ATOM 1266 C GLU A 629 -18.542 -5.148 4.764 1.00 0.00 C ATOM 1267 O GLU A 629 -19.578 -5.802 4.618 1.00 0.00 O ATOM 1268 CB GLU A 629 -16.270 -6.150 4.483 1.00 0.00 C ATOM 1269 CG GLU A 629 -15.316 -6.821 3.507 1.00 0.00 C ATOM 1270 CD GLU A 629 -15.985 -7.917 2.705 1.00 0.00 C ATOM 1271 OE1 GLU A 629 -16.310 -8.972 3.290 1.00 0.00 O ATOM 1272 OE2 GLU A 629 -16.179 -7.744 1.485 1.00 0.00 O ATOM 0 H GLU A 629 -15.851 -3.874 3.624 1.00 0.00 H new ATOM 0 HA GLU A 629 -17.706 -5.837 2.918 1.00 0.00 H new ATOM 0 HB2 GLU A 629 -15.697 -5.507 5.151 1.00 0.00 H new ATOM 0 HB3 GLU A 629 -16.738 -6.916 5.101 1.00 0.00 H new ATOM 0 HG2 GLU A 629 -14.911 -6.072 2.826 1.00 0.00 H new ATOM 0 HG3 GLU A 629 -14.473 -7.240 4.057 1.00 0.00 H new ATOM 1279 N ALA A 630 -18.378 -4.260 5.733 1.00 0.00 N ATOM 1280 CA ALA A 630 -19.430 -3.959 6.691 1.00 0.00 C ATOM 1281 C ALA A 630 -20.623 -3.304 6.001 1.00 0.00 C ATOM 1282 O ALA A 630 -21.778 -3.638 6.274 1.00 0.00 O ATOM 1283 CB ALA A 630 -18.885 -3.048 7.775 1.00 0.00 C ATOM 0 H ALA A 630 -17.518 -3.731 5.877 1.00 0.00 H new ATOM 0 HA ALA A 630 -19.771 -4.892 7.140 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -19.674 -2.823 8.492 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -18.060 -3.544 8.287 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -18.528 -2.121 7.326 1.00 0.00 H new ATOM 1289 N LEU A 631 -20.323 -2.377 5.099 1.00 0.00 N ATOM 1290 CA LEU A 631 -21.338 -1.609 4.388 1.00 0.00 C ATOM 1291 C LEU A 631 -22.177 -2.503 3.489 1.00 0.00 C ATOM 1292 O LEU A 631 -23.393 -2.345 3.401 1.00 0.00 O ATOM 1293 CB LEU A 631 -20.668 -0.534 3.537 1.00 0.00 C ATOM 1294 CG LEU A 631 -21.595 0.571 3.051 1.00 0.00 C ATOM 1295 CD1 LEU A 631 -22.037 1.427 4.220 1.00 0.00 C ATOM 1296 CD2 LEU A 631 -20.909 1.415 2.002 1.00 0.00 C ATOM 0 H LEU A 631 -19.366 -2.136 4.839 1.00 0.00 H new ATOM 0 HA LEU A 631 -21.992 -1.149 5.129 1.00 0.00 H new ATOM 0 HB2 LEU A 631 -19.862 -0.083 4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 631 -20.210 -1.011 2.670 1.00 0.00 H new ATOM 0 HG LEU A 631 -22.476 0.117 2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 631 -22.700 2.215 3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 631 -22.566 0.808 4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 631 -21.163 1.874 4.694 1.00 0.00 H new ATOM 0 HD21 LEU A 631 -21.587 2.200 1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 631 -20.013 1.867 2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 631 -20.632 0.788 1.155 1.00 0.00 H new ATOM 1308 N LYS A 632 -21.510 -3.448 2.840 1.00 0.00 N ATOM 1309 CA LYS A 632 -22.147 -4.344 1.880 1.00 0.00 C ATOM 1310 C LYS A 632 -23.317 -5.098 2.518 1.00 0.00 C ATOM 1311 O LYS A 632 -24.316 -5.392 1.864 1.00 0.00 O ATOM 1312 CB LYS A 632 -21.116 -5.348 1.363 1.00 0.00 C ATOM 1313 CG LYS A 632 -21.598 -6.192 0.192 1.00 0.00 C ATOM 1314 CD LYS A 632 -20.729 -7.424 0.000 1.00 0.00 C ATOM 1315 CE LYS A 632 -19.272 -7.059 -0.220 1.00 0.00 C ATOM 1316 NZ LYS A 632 -18.398 -8.258 -0.233 1.00 0.00 N ATOM 0 H LYS A 632 -20.512 -3.616 2.963 1.00 0.00 H new ATOM 0 HA LYS A 632 -22.535 -3.745 1.056 1.00 0.00 H new ATOM 0 HB2 LYS A 632 -20.219 -4.807 1.061 1.00 0.00 H new ATOM 0 HB3 LYS A 632 -20.829 -6.010 2.180 1.00 0.00 H new ATOM 0 HG2 LYS A 632 -22.631 -6.497 0.362 1.00 0.00 H new ATOM 0 HG3 LYS A 632 -21.588 -5.593 -0.718 1.00 0.00 H new ATOM 0 HD2 LYS A 632 -20.814 -8.068 0.875 1.00 0.00 H new ATOM 0 HD3 LYS A 632 -21.093 -7.996 -0.854 1.00 0.00 H new ATOM 0 HE2 LYS A 632 -19.170 -6.525 -1.165 1.00 0.00 H new ATOM 0 HE3 LYS A 632 -18.945 -6.380 0.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 632 -17.585 -8.102 0.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 632 -18.937 -9.084 0.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 632 -18.058 -8.429 -1.201 1.00 0.00 H new