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 Single : A 563 SER OG : rot 180:sc= 0 USER MOD Single : A 564 TYR OH : rot 180:sc=-0.00709 USER MOD Single : A 565 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 567 GLN : amide:sc= -1.32! C(o=-1.3!,f=-2.1!) USER MOD Single : A 572 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.21) USER MOD Single : A 575 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 583 LYS NZ :NH3+ 175:sc= 1.18 (180deg=1.17) USER MOD Single : A 588 GLN : amide:sc= -1.78! K(o=-1.8!,f=-0.81) USER MOD Single : A 589 THR OG1 : rot 180:sc= 0 USER MOD Single : A 590 GLN : amide:sc= 0.421 X(o=0.42,f=0) USER MOD Single : A 595 SER OG : rot 180:sc= 0 USER MOD Single : A 598 SER OG : rot -28:sc= 0.0882 USER MOD Single : A 599 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 601 HIS : no HD1:sc= -2.66! C(o=-2.7!,f=-3.6!) USER MOD Single : A 603 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 604 THR OG1 : rot -79:sc= 0.127 USER MOD Single : A 605 GLN : amide:sc= -1.58! K(o=-1.6!,f=-0.21) USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 611 MET CE :methyl 150:sc= -1.32 (180deg=-2.44!) USER MOD Single : A 616 GLN : amide:sc= -0.337 K(o=-0.34,f=-4.6!) USER MOD Single : A 620 GLN : amide:sc= 0.136 X(o=0.14,f=0) USER MOD Single : A 627 TYR OH : rot 180:sc= -0.0113 USER MOD Single : A 632 LYS NZ :NH3+ 178:sc= 1.23 (180deg=1.12) USER MOD ----------------------------------------------------------------- ATOM 198 N SER A 563 -23.691 0.528 -2.754 1.00 0.00 N ATOM 199 CA SER A 563 -23.830 0.979 -4.133 1.00 0.00 C ATOM 200 C SER A 563 -22.825 0.258 -5.028 1.00 0.00 C ATOM 201 O SER A 563 -21.744 -0.139 -4.586 1.00 0.00 O ATOM 202 CB SER A 563 -23.612 2.492 -4.203 1.00 0.00 C ATOM 203 OG SER A 563 -23.948 3.010 -5.481 1.00 0.00 O ATOM 0 HA SER A 563 -24.835 0.747 -4.485 1.00 0.00 H new ATOM 0 HB2 SER A 563 -24.217 2.983 -3.440 1.00 0.00 H new ATOM 0 HB3 SER A 563 -22.570 2.721 -3.980 1.00 0.00 H new ATOM 0 HG SER A 563 -23.799 3.979 -5.491 1.00 0.00 H new ATOM 209 N TYR A 564 -23.197 0.100 -6.294 1.00 0.00 N ATOM 210 CA TYR A 564 -22.406 -0.658 -7.257 1.00 0.00 C ATOM 211 C TYR A 564 -20.975 -0.137 -7.357 1.00 0.00 C ATOM 212 O TYR A 564 -20.053 -0.898 -7.659 1.00 0.00 O ATOM 213 CB TYR A 564 -23.061 -0.608 -8.633 1.00 0.00 C ATOM 214 CG TYR A 564 -22.399 -1.505 -9.648 1.00 0.00 C ATOM 215 CD1 TYR A 564 -22.720 -2.851 -9.715 1.00 0.00 C ATOM 216 CD2 TYR A 564 -21.453 -1.007 -10.535 1.00 0.00 C ATOM 217 CE1 TYR A 564 -22.122 -3.678 -10.639 1.00 0.00 C ATOM 218 CE2 TYR A 564 -20.848 -1.830 -11.463 1.00 0.00 C ATOM 219 CZ TYR A 564 -21.187 -3.164 -11.510 1.00 0.00 C ATOM 220 OH TYR A 564 -20.596 -3.991 -12.437 1.00 0.00 O ATOM 0 H TYR A 564 -24.055 0.493 -6.681 1.00 0.00 H new ATOM 0 HA TYR A 564 -22.367 -1.688 -6.902 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -24.109 -0.892 -8.538 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -23.041 0.418 -8.999 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -23.451 -3.258 -9.032 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -21.187 0.039 -10.498 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -22.385 -4.725 -10.681 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -20.114 -1.431 -12.147 1.00 0.00 H new ATOM 0 HH TYR A 564 -19.960 -3.476 -12.977 1.00 0.00 H new ATOM 230 N LYS A 565 -20.786 1.153 -7.105 1.00 0.00 N ATOM 231 CA LYS A 565 -19.457 1.739 -7.162 1.00 0.00 C ATOM 232 C LYS A 565 -18.562 1.173 -6.065 1.00 0.00 C ATOM 233 O LYS A 565 -17.347 1.093 -6.229 1.00 0.00 O ATOM 234 CB LYS A 565 -19.518 3.264 -7.073 1.00 0.00 C ATOM 235 CG LYS A 565 -20.240 3.776 -5.845 1.00 0.00 C ATOM 236 CD LYS A 565 -20.327 5.286 -5.842 1.00 0.00 C ATOM 237 CE LYS A 565 -18.980 5.924 -5.542 1.00 0.00 C ATOM 238 NZ LYS A 565 -19.077 7.403 -5.468 1.00 0.00 N ATOM 0 H LYS A 565 -21.531 1.806 -6.861 1.00 0.00 H new ATOM 0 HA LYS A 565 -19.023 1.475 -8.127 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -18.502 3.660 -7.077 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -20.015 3.651 -7.963 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -21.244 3.353 -5.809 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -19.719 3.439 -4.949 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -20.686 5.632 -6.811 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -21.056 5.607 -5.098 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -18.596 5.537 -4.598 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -18.265 5.645 -6.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -18.139 7.803 -5.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -19.419 7.774 -6.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -19.741 7.670 -4.713 1.00 0.00 H new ATOM 252 N LEU A 566 -19.166 0.757 -4.956 1.00 0.00 N ATOM 253 CA LEU A 566 -18.420 0.122 -3.879 1.00 0.00 C ATOM 254 C LEU A 566 -18.251 -1.341 -4.210 1.00 0.00 C ATOM 255 O LEU A 566 -17.265 -1.963 -3.837 1.00 0.00 O ATOM 256 CB LEU A 566 -19.128 0.233 -2.526 1.00 0.00 C ATOM 257 CG LEU A 566 -19.398 1.639 -1.999 1.00 0.00 C ATOM 258 CD1 LEU A 566 -20.604 2.246 -2.682 1.00 0.00 C ATOM 259 CD2 LEU A 566 -19.620 1.589 -0.503 1.00 0.00 C ATOM 0 H LEU A 566 -20.167 0.849 -4.781 1.00 0.00 H new ATOM 0 HA LEU A 566 -17.461 0.634 -3.795 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -20.081 -0.290 -2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -18.529 -0.297 -1.786 1.00 0.00 H new ATOM 0 HG LEU A 566 -18.532 2.264 -2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -20.778 3.248 -2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -20.424 2.302 -3.756 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -21.480 1.626 -2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -19.813 2.595 -0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -20.476 0.951 -0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -18.732 1.185 -0.017 1.00 0.00 H new ATOM 271 N GLN A 567 -19.239 -1.877 -4.914 1.00 0.00 N ATOM 272 CA GLN A 567 -19.202 -3.256 -5.358 1.00 0.00 C ATOM 273 C GLN A 567 -17.941 -3.512 -6.167 1.00 0.00 C ATOM 274 O GLN A 567 -17.238 -4.490 -5.935 1.00 0.00 O ATOM 275 CB GLN A 567 -20.454 -3.590 -6.177 1.00 0.00 C ATOM 276 CG GLN A 567 -21.728 -3.602 -5.349 1.00 0.00 C ATOM 277 CD GLN A 567 -22.958 -3.958 -6.157 1.00 0.00 C ATOM 278 OE1 GLN A 567 -22.883 -4.707 -7.129 1.00 0.00 O ATOM 279 NE2 GLN A 567 -24.103 -3.426 -5.755 1.00 0.00 N ATOM 0 H GLN A 567 -20.080 -1.370 -5.189 1.00 0.00 H new ATOM 0 HA GLN A 567 -19.187 -3.906 -4.483 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -20.558 -2.862 -6.981 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -20.324 -4.566 -6.645 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -21.617 -4.316 -4.533 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -21.869 -2.621 -4.896 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -24.121 -2.809 -4.943 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -24.966 -3.633 -6.258 1.00 0.00 H new ATOM 288 N ARG A 568 -17.643 -2.613 -7.095 1.00 0.00 N ATOM 289 CA ARG A 568 -16.447 -2.747 -7.918 1.00 0.00 C ATOM 290 C ARG A 568 -15.216 -2.187 -7.220 1.00 0.00 C ATOM 291 O ARG A 568 -14.096 -2.599 -7.507 1.00 0.00 O ATOM 292 CB ARG A 568 -16.657 -2.103 -9.288 1.00 0.00 C ATOM 293 CG ARG A 568 -17.094 -3.113 -10.333 1.00 0.00 C ATOM 294 CD ARG A 568 -18.276 -3.930 -9.840 1.00 0.00 C ATOM 295 NE ARG A 568 -18.532 -5.097 -10.681 1.00 0.00 N ATOM 296 CZ ARG A 568 -19.005 -6.259 -10.224 1.00 0.00 C ATOM 297 NH1 ARG A 568 -19.253 -6.418 -8.930 1.00 0.00 N ATOM 298 NH2 ARG A 568 -19.218 -7.265 -11.056 1.00 0.00 N ATOM 0 H ARG A 568 -18.208 -1.788 -7.297 1.00 0.00 H new ATOM 0 HA ARG A 568 -16.267 -3.811 -8.071 1.00 0.00 H new ATOM 0 HB2 ARG A 568 -17.408 -1.317 -9.207 1.00 0.00 H new ATOM 0 HB3 ARG A 568 -15.731 -1.627 -9.610 1.00 0.00 H new ATOM 0 HG2 ARG A 568 -17.364 -2.595 -11.254 1.00 0.00 H new ATOM 0 HG3 ARG A 568 -16.263 -3.777 -10.572 1.00 0.00 H new ATOM 0 HD2 ARG A 568 -18.088 -4.256 -8.817 1.00 0.00 H new ATOM 0 HD3 ARG A 568 -19.165 -3.300 -9.816 1.00 0.00 H new ATOM 0 HE ARG A 568 -18.337 -5.019 -11.679 1.00 0.00 H new ATOM 0 HH11 ARG A 568 -19.082 -5.651 -8.280 1.00 0.00 H new ATOM 0 HH12 ARG A 568 -19.614 -7.307 -8.585 1.00 0.00 H new ATOM 0 HH21 ARG A 568 -19.021 -7.155 -12.051 1.00 0.00 H new ATOM 0 HH22 ARG A 568 -19.579 -8.151 -10.703 1.00 0.00 H new ATOM 312 N GLU A 569 -15.429 -1.263 -6.290 1.00 0.00 N ATOM 313 CA GLU A 569 -14.341 -0.750 -5.466 1.00 0.00 C ATOM 314 C GLU A 569 -13.753 -1.895 -4.645 1.00 0.00 C ATOM 315 O GLU A 569 -12.542 -2.052 -4.531 1.00 0.00 O ATOM 316 CB GLU A 569 -14.865 0.346 -4.527 1.00 0.00 C ATOM 317 CG GLU A 569 -13.788 1.039 -3.704 1.00 0.00 C ATOM 318 CD GLU A 569 -13.141 2.196 -4.429 1.00 0.00 C ATOM 319 OE1 GLU A 569 -13.756 3.283 -4.468 1.00 0.00 O ATOM 320 OE2 GLU A 569 -12.014 2.038 -4.938 1.00 0.00 O ATOM 0 H GLU A 569 -16.342 -0.855 -6.088 1.00 0.00 H new ATOM 0 HA GLU A 569 -13.570 -0.324 -6.108 1.00 0.00 H new ATOM 0 HB2 GLU A 569 -15.390 1.095 -5.120 1.00 0.00 H new ATOM 0 HB3 GLU A 569 -15.597 -0.093 -3.849 1.00 0.00 H new ATOM 0 HG2 GLU A 569 -14.226 1.400 -2.774 1.00 0.00 H new ATOM 0 HG3 GLU A 569 -13.021 0.313 -3.434 1.00 0.00 H new ATOM 327 N LEU A 570 -14.651 -2.716 -4.116 1.00 0.00 N ATOM 328 CA LEU A 570 -14.300 -3.806 -3.219 1.00 0.00 C ATOM 329 C LEU A 570 -13.721 -5.002 -3.984 1.00 0.00 C ATOM 330 O LEU A 570 -13.081 -5.862 -3.401 1.00 0.00 O ATOM 331 CB LEU A 570 -15.551 -4.216 -2.434 1.00 0.00 C ATOM 332 CG LEU A 570 -15.325 -4.705 -0.997 1.00 0.00 C ATOM 333 CD1 LEU A 570 -16.635 -4.703 -0.234 1.00 0.00 C ATOM 334 CD2 LEU A 570 -14.725 -6.100 -0.969 1.00 0.00 C ATOM 0 H LEU A 570 -15.652 -2.642 -4.300 1.00 0.00 H new ATOM 0 HA LEU A 570 -13.525 -3.466 -2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -16.229 -3.363 -2.402 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -16.058 -5.006 -2.988 1.00 0.00 H new ATOM 0 HG LEU A 570 -14.621 -4.021 -0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 570 -16.463 -5.052 0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -17.039 -3.691 -0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 570 -17.346 -5.365 -0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 570 -14.579 -6.413 0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 570 -15.400 -6.796 -1.467 1.00 0.00 H new ATOM 0 HD23 LEU A 570 -13.765 -6.094 -1.485 1.00 0.00 H new ATOM 346 N GLU A 571 -13.953 -5.064 -5.286 1.00 0.00 N ATOM 347 CA GLU A 571 -13.406 -6.154 -6.096 1.00 0.00 C ATOM 348 C GLU A 571 -11.908 -5.978 -6.317 1.00 0.00 C ATOM 349 O GLU A 571 -11.134 -6.929 -6.198 1.00 0.00 O ATOM 350 CB GLU A 571 -14.122 -6.242 -7.446 1.00 0.00 C ATOM 351 CG GLU A 571 -15.580 -6.656 -7.348 1.00 0.00 C ATOM 352 CD GLU A 571 -15.762 -7.983 -6.644 1.00 0.00 C ATOM 353 OE1 GLU A 571 -15.238 -9.001 -7.139 1.00 0.00 O ATOM 354 OE2 GLU A 571 -16.440 -8.017 -5.596 1.00 0.00 O ATOM 0 H GLU A 571 -14.509 -4.384 -5.804 1.00 0.00 H new ATOM 0 HA GLU A 571 -13.569 -7.082 -5.548 1.00 0.00 H new ATOM 0 HB2 GLU A 571 -14.063 -5.272 -7.940 1.00 0.00 H new ATOM 0 HB3 GLU A 571 -13.595 -6.955 -8.079 1.00 0.00 H new ATOM 0 HG2 GLU A 571 -16.137 -5.886 -6.814 1.00 0.00 H new ATOM 0 HG3 GLU A 571 -16.004 -6.719 -8.350 1.00 0.00 H new ATOM 361 N GLN A 572 -11.507 -4.758 -6.622 1.00 0.00 N ATOM 362 CA GLN A 572 -10.120 -4.465 -6.957 1.00 0.00 C ATOM 363 C GLN A 572 -9.280 -4.189 -5.719 1.00 0.00 C ATOM 364 O GLN A 572 -8.083 -4.485 -5.680 1.00 0.00 O ATOM 365 CB GLN A 572 -10.073 -3.243 -7.865 1.00 0.00 C ATOM 366 CG GLN A 572 -10.915 -2.088 -7.339 1.00 0.00 C ATOM 367 CD GLN A 572 -10.738 -0.812 -8.138 1.00 0.00 C ATOM 368 OE1 GLN A 572 -11.670 -0.022 -8.278 1.00 0.00 O ATOM 369 NE2 GLN A 572 -9.541 -0.595 -8.665 1.00 0.00 N ATOM 0 H GLN A 572 -12.125 -3.947 -6.645 1.00 0.00 H new ATOM 0 HA GLN A 572 -9.707 -5.341 -7.458 1.00 0.00 H new ATOM 0 HB2 GLN A 572 -9.039 -2.914 -7.972 1.00 0.00 H new ATOM 0 HB3 GLN A 572 -10.424 -3.520 -8.859 1.00 0.00 H new ATOM 0 HG2 GLN A 572 -11.966 -2.376 -7.354 1.00 0.00 H new ATOM 0 HG3 GLN A 572 -10.651 -1.898 -6.299 1.00 0.00 H new ATOM 0 HE21 GLN A 572 -8.792 -1.274 -8.527 1.00 0.00 H new ATOM 0 HE22 GLN A 572 -9.369 0.251 -9.208 1.00 0.00 H new ATOM 378 N LEU A 573 -9.926 -3.614 -4.723 1.00 0.00 N ATOM 379 CA LEU A 573 -9.271 -3.133 -3.513 1.00 0.00 C ATOM 380 C LEU A 573 -8.419 -4.224 -2.825 1.00 0.00 C ATOM 381 O LEU A 573 -7.270 -3.964 -2.500 1.00 0.00 O ATOM 382 CB LEU A 573 -10.353 -2.591 -2.574 1.00 0.00 C ATOM 383 CG LEU A 573 -9.960 -1.426 -1.662 1.00 0.00 C ATOM 384 CD1 LEU A 573 -11.144 -1.016 -0.811 1.00 0.00 C ATOM 385 CD2 LEU A 573 -8.773 -1.776 -0.786 1.00 0.00 C ATOM 0 H LEU A 573 -10.935 -3.464 -4.728 1.00 0.00 H new ATOM 0 HA LEU A 573 -8.569 -2.342 -3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 573 -11.201 -2.275 -3.181 1.00 0.00 H new ATOM 0 HB3 LEU A 573 -10.699 -3.412 -1.946 1.00 0.00 H new ATOM 0 HG LEU A 573 -9.663 -0.589 -2.294 1.00 0.00 H new ATOM 0 HD11 LEU A 573 -10.857 -0.187 -0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 573 -11.966 -0.706 -1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 573 -11.462 -1.860 -0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 573 -8.524 -0.924 -0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 573 -9.023 -2.633 -0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 573 -7.917 -2.023 -1.414 1.00 0.00 H new ATOM 397 N PRO A 574 -8.937 -5.453 -2.586 1.00 0.00 N ATOM 398 CA PRO A 574 -8.152 -6.521 -1.943 1.00 0.00 C ATOM 399 C PRO A 574 -6.891 -6.872 -2.730 1.00 0.00 C ATOM 400 O PRO A 574 -5.824 -7.081 -2.149 1.00 0.00 O ATOM 401 CB PRO A 574 -9.114 -7.711 -1.906 1.00 0.00 C ATOM 402 CG PRO A 574 -10.466 -7.101 -2.004 1.00 0.00 C ATOM 403 CD PRO A 574 -10.301 -5.904 -2.891 1.00 0.00 C ATOM 0 HA PRO A 574 -7.795 -6.221 -0.958 1.00 0.00 H new ATOM 0 HB2 PRO A 574 -8.928 -8.398 -2.732 1.00 0.00 H new ATOM 0 HB3 PRO A 574 -9.003 -8.283 -0.985 1.00 0.00 H new ATOM 0 HG2 PRO A 574 -11.185 -7.805 -2.424 1.00 0.00 H new ATOM 0 HG3 PRO A 574 -10.839 -6.813 -1.021 1.00 0.00 H new ATOM 0 HD2 PRO A 574 -10.415 -6.163 -3.944 1.00 0.00 H new ATOM 0 HD3 PRO A 574 -11.040 -5.133 -2.671 1.00 0.00 H new ATOM 411 N GLN A 575 -7.013 -6.919 -4.053 1.00 0.00 N ATOM 412 CA GLN A 575 -5.862 -7.170 -4.916 1.00 0.00 C ATOM 413 C GLN A 575 -4.878 -6.020 -4.816 1.00 0.00 C ATOM 414 O GLN A 575 -3.671 -6.200 -4.952 1.00 0.00 O ATOM 415 CB GLN A 575 -6.292 -7.355 -6.369 1.00 0.00 C ATOM 416 CG GLN A 575 -7.132 -8.597 -6.601 1.00 0.00 C ATOM 417 CD GLN A 575 -7.570 -8.741 -8.042 1.00 0.00 C ATOM 418 OE1 GLN A 575 -8.624 -8.249 -8.432 1.00 0.00 O ATOM 419 NE2 GLN A 575 -6.759 -9.413 -8.843 1.00 0.00 N ATOM 0 H GLN A 575 -7.894 -6.787 -4.550 1.00 0.00 H new ATOM 0 HA GLN A 575 -5.383 -8.090 -4.581 1.00 0.00 H new ATOM 0 HB2 GLN A 575 -6.858 -6.479 -6.686 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -5.404 -7.405 -6.998 1.00 0.00 H new ATOM 0 HG2 GLN A 575 -6.560 -9.478 -6.309 1.00 0.00 H new ATOM 0 HG3 GLN A 575 -8.012 -8.561 -5.959 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -5.892 -9.806 -8.478 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -7.001 -9.538 -9.826 1.00 0.00 H new ATOM 428 N LEU A 576 -5.414 -4.840 -4.567 1.00 0.00 N ATOM 429 CA LEU A 576 -4.610 -3.654 -4.357 1.00 0.00 C ATOM 430 C LEU A 576 -3.922 -3.705 -2.992 1.00 0.00 C ATOM 431 O LEU A 576 -2.790 -3.255 -2.842 1.00 0.00 O ATOM 432 CB LEU A 576 -5.490 -2.411 -4.469 1.00 0.00 C ATOM 433 CG LEU A 576 -4.842 -1.119 -3.997 1.00 0.00 C ATOM 434 CD1 LEU A 576 -3.782 -0.650 -4.984 1.00 0.00 C ATOM 435 CD2 LEU A 576 -5.891 -0.040 -3.773 1.00 0.00 C ATOM 0 H LEU A 576 -6.419 -4.678 -4.505 1.00 0.00 H new ATOM 0 HA LEU A 576 -3.836 -3.610 -5.123 1.00 0.00 H new ATOM 0 HB2 LEU A 576 -5.790 -2.290 -5.510 1.00 0.00 H new ATOM 0 HB3 LEU A 576 -6.400 -2.575 -3.892 1.00 0.00 H new ATOM 0 HG LEU A 576 -4.350 -1.316 -3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 576 -3.333 0.276 -4.624 1.00 0.00 H new ATOM 0 HD12 LEU A 576 -3.010 -1.414 -5.079 1.00 0.00 H new ATOM 0 HD13 LEU A 576 -4.242 -0.476 -5.957 1.00 0.00 H new ATOM 0 HD21 LEU A 576 -5.405 0.875 -3.436 1.00 0.00 H new ATOM 0 HD22 LEU A 576 -6.420 0.153 -4.706 1.00 0.00 H new ATOM 0 HD23 LEU A 576 -6.601 -0.374 -3.016 1.00 0.00 H new ATOM 447 N LEU A 577 -4.609 -4.257 -1.999 1.00 0.00 N ATOM 448 CA LEU A 577 -4.017 -4.458 -0.679 1.00 0.00 C ATOM 449 C LEU A 577 -2.798 -5.346 -0.765 1.00 0.00 C ATOM 450 O LEU A 577 -1.728 -4.976 -0.305 1.00 0.00 O ATOM 451 CB LEU A 577 -5.023 -5.060 0.304 1.00 0.00 C ATOM 452 CG LEU A 577 -5.826 -4.064 1.147 1.00 0.00 C ATOM 453 CD1 LEU A 577 -5.555 -2.623 0.732 1.00 0.00 C ATOM 454 CD2 LEU A 577 -7.313 -4.373 1.070 1.00 0.00 C ATOM 0 H LEU A 577 -5.575 -4.573 -2.081 1.00 0.00 H new ATOM 0 HA LEU A 577 -3.719 -3.477 -0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.725 -5.676 -0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -4.485 -5.725 0.980 1.00 0.00 H new ATOM 0 HG LEU A 577 -5.499 -4.173 2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -6.144 -1.948 1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -4.495 -2.401 0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -5.832 -2.487 -0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -7.866 -3.655 1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -7.645 -4.306 0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -7.495 -5.380 1.445 1.00 0.00 H new ATOM 466 N GLU A 578 -2.951 -6.511 -1.369 1.00 0.00 N ATOM 467 CA GLU A 578 -1.826 -7.416 -1.511 1.00 0.00 C ATOM 468 C GLU A 578 -0.796 -6.843 -2.486 1.00 0.00 C ATOM 469 O GLU A 578 0.376 -7.209 -2.447 1.00 0.00 O ATOM 470 CB GLU A 578 -2.283 -8.810 -1.945 1.00 0.00 C ATOM 471 CG GLU A 578 -3.177 -8.823 -3.168 1.00 0.00 C ATOM 472 CD GLU A 578 -3.574 -10.226 -3.558 1.00 0.00 C ATOM 473 OE1 GLU A 578 -2.809 -10.881 -4.293 1.00 0.00 O ATOM 474 OE2 GLU A 578 -4.648 -10.692 -3.123 1.00 0.00 O ATOM 0 H GLU A 578 -3.829 -6.849 -1.763 1.00 0.00 H new ATOM 0 HA GLU A 578 -1.351 -7.519 -0.535 1.00 0.00 H new ATOM 0 HB2 GLU A 578 -1.403 -9.421 -2.147 1.00 0.00 H new ATOM 0 HB3 GLU A 578 -2.814 -9.279 -1.117 1.00 0.00 H new ATOM 0 HG2 GLU A 578 -4.072 -8.234 -2.970 1.00 0.00 H new ATOM 0 HG3 GLU A 578 -2.660 -8.347 -4.001 1.00 0.00 H new ATOM 481 N ASP A 579 -1.241 -5.923 -3.340 1.00 0.00 N ATOM 482 CA ASP A 579 -0.341 -5.213 -4.242 1.00 0.00 C ATOM 483 C ASP A 579 0.589 -4.334 -3.435 1.00 0.00 C ATOM 484 O ASP A 579 1.805 -4.429 -3.537 1.00 0.00 O ATOM 485 CB ASP A 579 -1.121 -4.312 -5.198 1.00 0.00 C ATOM 486 CG ASP A 579 -0.455 -4.171 -6.548 1.00 0.00 C ATOM 487 OD1 ASP A 579 -0.713 -5.013 -7.437 1.00 0.00 O ATOM 488 OD2 ASP A 579 0.319 -3.208 -6.736 1.00 0.00 O ATOM 0 H ASP A 579 -2.221 -5.653 -3.425 1.00 0.00 H new ATOM 0 HA ASP A 579 0.216 -5.956 -4.813 1.00 0.00 H new ATOM 0 HB2 ASP A 579 -2.124 -4.717 -5.334 1.00 0.00 H new ATOM 0 HB3 ASP A 579 -1.233 -3.325 -4.749 1.00 0.00 H new ATOM 493 N LEU A 580 -0.017 -3.484 -2.620 1.00 0.00 N ATOM 494 CA LEU A 580 0.709 -2.519 -1.812 1.00 0.00 C ATOM 495 C LEU A 580 1.461 -3.206 -0.686 1.00 0.00 C ATOM 496 O LEU A 580 2.494 -2.722 -0.238 1.00 0.00 O ATOM 497 CB LEU A 580 -0.264 -1.498 -1.236 1.00 0.00 C ATOM 498 CG LEU A 580 -1.122 -0.784 -2.271 1.00 0.00 C ATOM 499 CD1 LEU A 580 -2.225 -0.006 -1.582 1.00 0.00 C ATOM 500 CD2 LEU A 580 -0.261 0.128 -3.134 1.00 0.00 C ATOM 0 H LEU A 580 -1.029 -3.445 -2.501 1.00 0.00 H new ATOM 0 HA LEU A 580 1.436 -2.015 -2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 580 -0.919 -2.001 -0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 580 0.301 -0.753 -0.676 1.00 0.00 H new ATOM 0 HG LEU A 580 -1.584 -1.524 -2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 580 -2.834 0.502 -2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 580 -2.850 -0.691 -1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 580 -1.785 0.732 -0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 580 -0.888 0.632 -3.869 1.00 0.00 H new ATOM 0 HD22 LEU A 580 0.227 0.871 -2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 580 0.496 -0.465 -3.648 1.00 0.00 H new ATOM 512 N GLU A 581 0.931 -4.327 -0.227 1.00 0.00 N ATOM 513 CA GLU A 581 1.586 -5.114 0.802 1.00 0.00 C ATOM 514 C GLU A 581 2.886 -5.680 0.254 1.00 0.00 C ATOM 515 O GLU A 581 3.952 -5.501 0.840 1.00 0.00 O ATOM 516 CB GLU A 581 0.682 -6.252 1.260 1.00 0.00 C ATOM 517 CG GLU A 581 1.108 -6.850 2.586 1.00 0.00 C ATOM 518 CD GLU A 581 0.480 -8.201 2.847 1.00 0.00 C ATOM 519 OE1 GLU A 581 -0.685 -8.247 3.292 1.00 0.00 O ATOM 520 OE2 GLU A 581 1.148 -9.224 2.604 1.00 0.00 O ATOM 0 H GLU A 581 0.045 -4.713 -0.553 1.00 0.00 H new ATOM 0 HA GLU A 581 1.797 -4.472 1.657 1.00 0.00 H new ATOM 0 HB2 GLU A 581 -0.341 -5.884 1.345 1.00 0.00 H new ATOM 0 HB3 GLU A 581 0.677 -7.033 0.500 1.00 0.00 H new ATOM 0 HG2 GLU A 581 2.193 -6.949 2.603 1.00 0.00 H new ATOM 0 HG3 GLU A 581 0.838 -6.167 3.391 1.00 0.00 H new ATOM 527 N ALA A 582 2.781 -6.346 -0.889 1.00 0.00 N ATOM 528 CA ALA A 582 3.944 -6.895 -1.574 1.00 0.00 C ATOM 529 C ALA A 582 4.866 -5.779 -2.037 1.00 0.00 C ATOM 530 O ALA A 582 6.082 -5.946 -2.090 1.00 0.00 O ATOM 531 CB ALA A 582 3.507 -7.741 -2.759 1.00 0.00 C ATOM 0 H ALA A 582 1.895 -6.520 -1.364 1.00 0.00 H new ATOM 0 HA ALA A 582 4.490 -7.527 -0.874 1.00 0.00 H new ATOM 0 HB1 ALA A 582 4.386 -8.145 -3.262 1.00 0.00 H new ATOM 0 HB2 ALA A 582 2.880 -8.561 -2.409 1.00 0.00 H new ATOM 0 HB3 ALA A 582 2.941 -7.124 -3.457 1.00 0.00 H new ATOM 537 N LYS A 583 4.276 -4.634 -2.360 1.00 0.00 N ATOM 538 CA LYS A 583 5.037 -3.473 -2.789 1.00 0.00 C ATOM 539 C LYS A 583 5.872 -2.952 -1.627 1.00 0.00 C ATOM 540 O LYS A 583 7.073 -2.719 -1.761 1.00 0.00 O ATOM 541 CB LYS A 583 4.109 -2.363 -3.297 1.00 0.00 C ATOM 542 CG LYS A 583 4.872 -1.155 -3.806 1.00 0.00 C ATOM 543 CD LYS A 583 3.968 0.012 -4.148 1.00 0.00 C ATOM 544 CE LYS A 583 4.802 1.241 -4.467 1.00 0.00 C ATOM 545 NZ LYS A 583 3.984 2.392 -4.924 1.00 0.00 N ATOM 0 H LYS A 583 3.267 -4.487 -2.332 1.00 0.00 H new ATOM 0 HA LYS A 583 5.691 -3.774 -3.608 1.00 0.00 H new ATOM 0 HB2 LYS A 583 3.482 -2.756 -4.097 1.00 0.00 H new ATOM 0 HB3 LYS A 583 3.442 -2.055 -2.492 1.00 0.00 H new ATOM 0 HG2 LYS A 583 5.592 -0.841 -3.050 1.00 0.00 H new ATOM 0 HG3 LYS A 583 5.442 -1.438 -4.691 1.00 0.00 H new ATOM 0 HD2 LYS A 583 3.340 -0.242 -5.002 1.00 0.00 H new ATOM 0 HD3 LYS A 583 3.301 0.222 -3.312 1.00 0.00 H new ATOM 0 HE2 LYS A 583 5.365 1.532 -3.580 1.00 0.00 H new ATOM 0 HE3 LYS A 583 5.530 0.990 -5.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 4.594 3.225 -5.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 3.532 2.158 -5.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 3.251 2.600 -4.216 1.00 0.00 H new ATOM 559 N LEU A 584 5.218 -2.787 -0.486 1.00 0.00 N ATOM 560 CA LEU A 584 5.873 -2.362 0.736 1.00 0.00 C ATOM 561 C LEU A 584 6.954 -3.370 1.111 1.00 0.00 C ATOM 562 O LEU A 584 8.091 -2.999 1.381 1.00 0.00 O ATOM 563 CB LEU A 584 4.819 -2.213 1.851 1.00 0.00 C ATOM 564 CG LEU A 584 5.314 -1.678 3.202 1.00 0.00 C ATOM 565 CD1 LEU A 584 5.943 -2.788 4.028 1.00 0.00 C ATOM 566 CD2 LEU A 584 6.299 -0.536 2.992 1.00 0.00 C ATOM 0 H LEU A 584 4.215 -2.945 -0.385 1.00 0.00 H new ATOM 0 HA LEU A 584 6.354 -1.394 0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 584 4.033 -1.549 1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 584 4.361 -3.188 2.018 1.00 0.00 H new ATOM 0 HG LEU A 584 4.455 -1.296 3.754 1.00 0.00 H new ATOM 0 HD11 LEU A 584 6.286 -2.383 4.980 1.00 0.00 H new ATOM 0 HD12 LEU A 584 5.205 -3.569 4.210 1.00 0.00 H new ATOM 0 HD13 LEU A 584 6.790 -3.209 3.487 1.00 0.00 H new ATOM 0 HD21 LEU A 584 6.641 -0.168 3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 584 7.153 -0.894 2.417 1.00 0.00 H new ATOM 0 HD23 LEU A 584 5.809 0.272 2.449 1.00 0.00 H new ATOM 578 N GLU A 585 6.586 -4.643 1.097 1.00 0.00 N ATOM 579 CA GLU A 585 7.513 -5.729 1.391 1.00 0.00 C ATOM 580 C GLU A 585 8.734 -5.676 0.461 1.00 0.00 C ATOM 581 O GLU A 585 9.867 -5.914 0.886 1.00 0.00 O ATOM 582 CB GLU A 585 6.769 -7.061 1.250 1.00 0.00 C ATOM 583 CG GLU A 585 7.613 -8.290 1.532 1.00 0.00 C ATOM 584 CD GLU A 585 8.198 -8.301 2.931 1.00 0.00 C ATOM 585 OE1 GLU A 585 7.441 -8.527 3.897 1.00 0.00 O ATOM 586 OE2 GLU A 585 9.423 -8.101 3.070 1.00 0.00 O ATOM 0 H GLU A 585 5.638 -4.953 0.882 1.00 0.00 H new ATOM 0 HA GLU A 585 7.883 -5.627 2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 585 5.916 -7.059 1.929 1.00 0.00 H new ATOM 0 HB3 GLU A 585 6.371 -7.134 0.238 1.00 0.00 H new ATOM 0 HG2 GLU A 585 7.003 -9.182 1.393 1.00 0.00 H new ATOM 0 HG3 GLU A 585 8.424 -8.341 0.805 1.00 0.00 H new ATOM 593 N ALA A 586 8.502 -5.324 -0.796 1.00 0.00 N ATOM 594 CA ALA A 586 9.568 -5.241 -1.788 1.00 0.00 C ATOM 595 C ALA A 586 10.486 -4.054 -1.514 1.00 0.00 C ATOM 596 O ALA A 586 11.705 -4.141 -1.664 1.00 0.00 O ATOM 597 CB ALA A 586 8.972 -5.127 -3.180 1.00 0.00 C ATOM 0 H ALA A 586 7.577 -5.089 -1.156 1.00 0.00 H new ATOM 0 HA ALA A 586 10.164 -6.151 -1.723 1.00 0.00 H new ATOM 0 HB1 ALA A 586 9.774 -5.065 -3.915 1.00 0.00 H new ATOM 0 HB2 ALA A 586 8.358 -6.004 -3.386 1.00 0.00 H new ATOM 0 HB3 ALA A 586 8.356 -4.230 -3.240 1.00 0.00 H new ATOM 603 N LEU A 587 9.890 -2.950 -1.110 1.00 0.00 N ATOM 604 CA LEU A 587 10.633 -1.729 -0.858 1.00 0.00 C ATOM 605 C LEU A 587 11.327 -1.777 0.500 1.00 0.00 C ATOM 606 O LEU A 587 12.458 -1.328 0.642 1.00 0.00 O ATOM 607 CB LEU A 587 9.692 -0.527 -0.948 1.00 0.00 C ATOM 608 CG LEU A 587 9.058 -0.320 -2.327 1.00 0.00 C ATOM 609 CD1 LEU A 587 7.899 0.658 -2.245 1.00 0.00 C ATOM 610 CD2 LEU A 587 10.096 0.178 -3.323 1.00 0.00 C ATOM 0 H LEU A 587 8.886 -2.872 -0.948 1.00 0.00 H new ATOM 0 HA LEU A 587 11.409 -1.629 -1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 587 8.898 -0.647 -0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 587 10.245 0.373 -0.677 1.00 0.00 H new ATOM 0 HG LEU A 587 8.676 -1.281 -2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 587 7.464 0.790 -3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 587 7.142 0.268 -1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 587 8.259 1.618 -1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 587 9.627 0.319 -4.297 1.00 0.00 H new ATOM 0 HD22 LEU A 587 10.507 1.127 -2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 587 10.898 -0.555 -3.409 1.00 0.00 H new ATOM 622 N GLN A 588 10.665 -2.366 1.483 1.00 0.00 N ATOM 623 CA GLN A 588 11.197 -2.429 2.839 1.00 0.00 C ATOM 624 C GLN A 588 12.428 -3.319 2.927 1.00 0.00 C ATOM 625 O GLN A 588 13.277 -3.110 3.784 1.00 0.00 O ATOM 626 CB GLN A 588 10.127 -2.936 3.806 1.00 0.00 C ATOM 627 CG GLN A 588 9.294 -1.835 4.441 1.00 0.00 C ATOM 628 CD GLN A 588 10.035 -1.090 5.537 1.00 0.00 C ATOM 629 OE1 GLN A 588 9.779 0.089 5.789 1.00 0.00 O ATOM 630 NE2 GLN A 588 10.950 -1.774 6.208 1.00 0.00 N ATOM 0 H GLN A 588 9.754 -2.810 1.368 1.00 0.00 H new ATOM 0 HA GLN A 588 11.493 -1.417 3.117 1.00 0.00 H new ATOM 0 HB2 GLN A 588 9.464 -3.617 3.273 1.00 0.00 H new ATOM 0 HB3 GLN A 588 10.609 -3.513 4.595 1.00 0.00 H new ATOM 0 HG2 GLN A 588 8.989 -1.127 3.670 1.00 0.00 H new ATOM 0 HG3 GLN A 588 8.383 -2.268 4.855 1.00 0.00 H new ATOM 0 HE21 GLN A 588 11.134 -2.749 5.970 1.00 0.00 H new ATOM 0 HE22 GLN A 588 11.470 -1.326 6.962 1.00 0.00 H new ATOM 639 N THR A 589 12.538 -4.300 2.041 1.00 0.00 N ATOM 640 CA THR A 589 13.645 -5.244 2.108 1.00 0.00 C ATOM 641 C THR A 589 14.907 -4.671 1.463 1.00 0.00 C ATOM 642 O THR A 589 16.021 -5.040 1.831 1.00 0.00 O ATOM 643 CB THR A 589 13.267 -6.601 1.464 1.00 0.00 C ATOM 644 OG1 THR A 589 14.176 -7.624 1.893 1.00 0.00 O ATOM 645 CG2 THR A 589 13.278 -6.518 -0.057 1.00 0.00 C ATOM 0 H THR A 589 11.883 -4.462 1.276 1.00 0.00 H new ATOM 0 HA THR A 589 13.858 -5.419 3.162 1.00 0.00 H new ATOM 0 HB THR A 589 12.256 -6.849 1.788 1.00 0.00 H new ATOM 0 HG1 THR A 589 13.926 -8.477 1.481 1.00 0.00 H new ATOM 0 HG21 THR A 589 13.008 -7.487 -0.476 1.00 0.00 H new ATOM 0 HG22 THR A 589 12.559 -5.768 -0.386 1.00 0.00 H new ATOM 0 HG23 THR A 589 14.275 -6.239 -0.399 1.00 0.00 H new ATOM 653 N GLN A 590 14.741 -3.750 0.523 1.00 0.00 N ATOM 654 CA GLN A 590 15.889 -3.089 -0.079 1.00 0.00 C ATOM 655 C GLN A 590 16.322 -1.923 0.801 1.00 0.00 C ATOM 656 O GLN A 590 17.479 -1.516 0.789 1.00 0.00 O ATOM 657 CB GLN A 590 15.574 -2.628 -1.504 1.00 0.00 C ATOM 658 CG GLN A 590 14.413 -1.659 -1.603 1.00 0.00 C ATOM 659 CD GLN A 590 13.984 -1.425 -3.034 1.00 0.00 C ATOM 660 OE1 GLN A 590 14.491 -0.530 -3.707 1.00 0.00 O ATOM 661 NE2 GLN A 590 13.052 -2.233 -3.512 1.00 0.00 N ATOM 0 H GLN A 590 13.835 -3.447 0.165 1.00 0.00 H new ATOM 0 HA GLN A 590 16.713 -3.799 -0.149 1.00 0.00 H new ATOM 0 HB2 GLN A 590 16.462 -2.157 -1.926 1.00 0.00 H new ATOM 0 HB3 GLN A 590 15.355 -3.503 -2.117 1.00 0.00 H new ATOM 0 HG2 GLN A 590 13.569 -2.046 -1.031 1.00 0.00 H new ATOM 0 HG3 GLN A 590 14.696 -0.709 -1.150 1.00 0.00 H new ATOM 0 HE21 GLN A 590 12.657 -2.963 -2.919 1.00 0.00 H new ATOM 0 HE22 GLN A 590 12.728 -2.126 -4.473 1.00 0.00 H new ATOM 670 N VAL A 591 15.371 -1.414 1.580 1.00 0.00 N ATOM 671 CA VAL A 591 15.638 -0.382 2.577 1.00 0.00 C ATOM 672 C VAL A 591 16.154 -1.024 3.871 1.00 0.00 C ATOM 673 O VAL A 591 16.769 -0.367 4.713 1.00 0.00 O ATOM 674 CB VAL A 591 14.353 0.441 2.858 1.00 0.00 C ATOM 675 CG1 VAL A 591 14.560 1.466 3.957 1.00 0.00 C ATOM 676 CG2 VAL A 591 13.879 1.135 1.591 1.00 0.00 C ATOM 0 H VAL A 591 14.394 -1.705 1.538 1.00 0.00 H new ATOM 0 HA VAL A 591 16.402 0.292 2.190 1.00 0.00 H new ATOM 0 HB VAL A 591 13.591 -0.261 3.196 1.00 0.00 H new ATOM 0 HG11 VAL A 591 13.634 2.018 4.119 1.00 0.00 H new ATOM 0 HG12 VAL A 591 14.846 0.959 4.878 1.00 0.00 H new ATOM 0 HG13 VAL A 591 15.349 2.159 3.664 1.00 0.00 H new ATOM 0 HG21 VAL A 591 12.977 1.708 1.806 1.00 0.00 H new ATOM 0 HG22 VAL A 591 14.658 1.807 1.231 1.00 0.00 H new ATOM 0 HG23 VAL A 591 13.662 0.389 0.827 1.00 0.00 H new ATOM 686 N ALA A 592 15.904 -2.323 4.006 1.00 0.00 N ATOM 687 CA ALA A 592 16.370 -3.085 5.160 1.00 0.00 C ATOM 688 C ALA A 592 17.890 -3.179 5.160 1.00 0.00 C ATOM 689 O ALA A 592 18.523 -3.304 6.211 1.00 0.00 O ATOM 690 CB ALA A 592 15.758 -4.478 5.165 1.00 0.00 C ATOM 0 H ALA A 592 15.378 -2.872 3.326 1.00 0.00 H new ATOM 0 HA ALA A 592 16.053 -2.563 6.063 1.00 0.00 H new ATOM 0 HB1 ALA A 592 16.118 -5.030 6.033 1.00 0.00 H new ATOM 0 HB2 ALA A 592 14.672 -4.398 5.210 1.00 0.00 H new ATOM 0 HB3 ALA A 592 16.045 -5.005 4.255 1.00 0.00 H new ATOM 696 N ASP A 593 18.461 -3.123 3.967 1.00 0.00 N ATOM 697 CA ASP A 593 19.907 -3.145 3.798 1.00 0.00 C ATOM 698 C ASP A 593 20.511 -1.827 4.267 1.00 0.00 C ATOM 699 O ASP A 593 20.028 -0.751 3.915 1.00 0.00 O ATOM 700 CB ASP A 593 20.255 -3.393 2.330 1.00 0.00 C ATOM 701 CG ASP A 593 21.747 -3.363 2.076 1.00 0.00 C ATOM 702 OD1 ASP A 593 22.418 -4.386 2.310 1.00 0.00 O ATOM 703 OD2 ASP A 593 22.253 -2.316 1.641 1.00 0.00 O ATOM 0 H ASP A 593 17.939 -3.061 3.093 1.00 0.00 H new ATOM 0 HA ASP A 593 20.322 -3.952 4.401 1.00 0.00 H new ATOM 0 HB2 ASP A 593 19.857 -4.360 2.024 1.00 0.00 H new ATOM 0 HB3 ASP A 593 19.769 -2.638 1.712 1.00 0.00 H new ATOM 708 N ALA A 594 21.571 -1.920 5.061 1.00 0.00 N ATOM 709 CA ALA A 594 22.188 -0.742 5.663 1.00 0.00 C ATOM 710 C ALA A 594 22.947 0.082 4.629 1.00 0.00 C ATOM 711 O ALA A 594 23.168 1.280 4.815 1.00 0.00 O ATOM 712 CB ALA A 594 23.117 -1.152 6.796 1.00 0.00 C ATOM 0 H ALA A 594 22.023 -2.801 5.304 1.00 0.00 H new ATOM 0 HA ALA A 594 21.390 -0.118 6.066 1.00 0.00 H new ATOM 0 HB1 ALA A 594 23.570 -0.263 7.235 1.00 0.00 H new ATOM 0 HB2 ALA A 594 22.548 -1.684 7.559 1.00 0.00 H new ATOM 0 HB3 ALA A 594 23.900 -1.803 6.407 1.00 0.00 H new ATOM 718 N SER A 595 23.330 -0.556 3.535 1.00 0.00 N ATOM 719 CA SER A 595 24.088 0.113 2.495 1.00 0.00 C ATOM 720 C SER A 595 23.159 0.817 1.516 1.00 0.00 C ATOM 721 O SER A 595 23.610 1.567 0.650 1.00 0.00 O ATOM 722 CB SER A 595 24.977 -0.894 1.769 1.00 0.00 C ATOM 723 OG SER A 595 25.791 -1.593 2.697 1.00 0.00 O ATOM 0 H SER A 595 23.127 -1.538 3.346 1.00 0.00 H new ATOM 0 HA SER A 595 24.721 0.870 2.957 1.00 0.00 H new ATOM 0 HB2 SER A 595 24.360 -1.600 1.213 1.00 0.00 H new ATOM 0 HB3 SER A 595 25.604 -0.378 1.042 1.00 0.00 H new ATOM 0 HG SER A 595 26.354 -2.236 2.218 1.00 0.00 H new ATOM 729 N PHE A 596 21.859 0.574 1.653 1.00 0.00 N ATOM 730 CA PHE A 596 20.868 1.302 0.876 1.00 0.00 C ATOM 731 C PHE A 596 21.003 2.796 1.138 1.00 0.00 C ATOM 732 O PHE A 596 21.060 3.597 0.211 1.00 0.00 O ATOM 733 CB PHE A 596 19.451 0.833 1.218 1.00 0.00 C ATOM 734 CG PHE A 596 18.379 1.765 0.729 1.00 0.00 C ATOM 735 CD1 PHE A 596 18.008 1.790 -0.607 1.00 0.00 C ATOM 736 CD2 PHE A 596 17.751 2.628 1.611 1.00 0.00 C ATOM 737 CE1 PHE A 596 17.030 2.657 -1.049 1.00 0.00 C ATOM 738 CE2 PHE A 596 16.776 3.497 1.173 1.00 0.00 C ATOM 739 CZ PHE A 596 16.413 3.512 -0.156 1.00 0.00 C ATOM 0 H PHE A 596 21.471 -0.119 2.293 1.00 0.00 H new ATOM 0 HA PHE A 596 21.045 1.104 -0.181 1.00 0.00 H new ATOM 0 HB2 PHE A 596 19.289 -0.154 0.785 1.00 0.00 H new ATOM 0 HB3 PHE A 596 19.363 0.725 2.299 1.00 0.00 H new ATOM 0 HD1 PHE A 596 18.489 1.124 -1.308 1.00 0.00 H new ATOM 0 HD2 PHE A 596 18.029 2.620 2.655 1.00 0.00 H new ATOM 0 HE1 PHE A 596 16.747 2.667 -2.091 1.00 0.00 H new ATOM 0 HE2 PHE A 596 16.296 4.167 1.871 1.00 0.00 H new ATOM 0 HZ PHE A 596 15.647 4.191 -0.499 1.00 0.00 H new ATOM 749 N PHE A 597 21.086 3.158 2.412 1.00 0.00 N ATOM 750 CA PHE A 597 21.229 4.557 2.810 1.00 0.00 C ATOM 751 C PHE A 597 22.634 5.087 2.514 1.00 0.00 C ATOM 752 O PHE A 597 22.972 6.216 2.879 1.00 0.00 O ATOM 753 CB PHE A 597 20.913 4.722 4.294 1.00 0.00 C ATOM 754 CG PHE A 597 19.485 4.423 4.652 1.00 0.00 C ATOM 755 CD1 PHE A 597 18.513 5.402 4.539 1.00 0.00 C ATOM 756 CD2 PHE A 597 19.119 3.166 5.109 1.00 0.00 C ATOM 757 CE1 PHE A 597 17.200 5.136 4.877 1.00 0.00 C ATOM 758 CE2 PHE A 597 17.808 2.894 5.446 1.00 0.00 C ATOM 759 CZ PHE A 597 16.848 3.881 5.331 1.00 0.00 C ATOM 0 H PHE A 597 21.057 2.501 3.192 1.00 0.00 H new ATOM 0 HA PHE A 597 20.519 5.139 2.223 1.00 0.00 H new ATOM 0 HB2 PHE A 597 21.566 4.066 4.869 1.00 0.00 H new ATOM 0 HB3 PHE A 597 21.145 5.744 4.593 1.00 0.00 H new ATOM 0 HD1 PHE A 597 18.784 6.385 4.183 1.00 0.00 H new ATOM 0 HD2 PHE A 597 19.867 2.392 5.202 1.00 0.00 H new ATOM 0 HE1 PHE A 597 16.451 5.908 4.786 1.00 0.00 H new ATOM 0 HE2 PHE A 597 17.533 1.911 5.799 1.00 0.00 H new ATOM 0 HZ PHE A 597 15.822 3.671 5.596 1.00 0.00 H new ATOM 769 N SER A 598 23.449 4.272 1.857 1.00 0.00 N ATOM 770 CA SER A 598 24.762 4.710 1.408 1.00 0.00 C ATOM 771 C SER A 598 24.633 5.301 0.007 1.00 0.00 C ATOM 772 O SER A 598 25.567 5.902 -0.528 1.00 0.00 O ATOM 773 CB SER A 598 25.753 3.539 1.417 1.00 0.00 C ATOM 774 OG SER A 598 27.073 3.971 1.126 1.00 0.00 O ATOM 0 H SER A 598 23.223 3.305 1.624 1.00 0.00 H new ATOM 0 HA SER A 598 25.145 5.472 2.087 1.00 0.00 H new ATOM 0 HB2 SER A 598 25.735 3.054 2.393 1.00 0.00 H new ATOM 0 HB3 SER A 598 25.443 2.794 0.684 1.00 0.00 H new ATOM 0 HG SER A 598 27.038 4.775 0.567 1.00 0.00 H new ATOM 780 N GLN A 599 23.453 5.130 -0.575 1.00 0.00 N ATOM 781 CA GLN A 599 23.142 5.698 -1.873 1.00 0.00 C ATOM 782 C GLN A 599 22.771 7.166 -1.734 1.00 0.00 C ATOM 783 O GLN A 599 22.318 7.600 -0.674 1.00 0.00 O ATOM 784 CB GLN A 599 21.987 4.928 -2.518 1.00 0.00 C ATOM 785 CG GLN A 599 22.357 3.516 -2.922 1.00 0.00 C ATOM 786 CD GLN A 599 21.146 2.631 -3.139 1.00 0.00 C ATOM 787 OE1 GLN A 599 20.079 3.099 -3.538 1.00 0.00 O ATOM 788 NE2 GLN A 599 21.307 1.342 -2.887 1.00 0.00 N ATOM 0 H GLN A 599 22.690 4.595 -0.160 1.00 0.00 H new ATOM 0 HA GLN A 599 24.024 5.618 -2.508 1.00 0.00 H new ATOM 0 HB2 GLN A 599 21.150 4.891 -1.820 1.00 0.00 H new ATOM 0 HB3 GLN A 599 21.644 5.472 -3.398 1.00 0.00 H new ATOM 0 HG2 GLN A 599 22.947 3.548 -3.838 1.00 0.00 H new ATOM 0 HG3 GLN A 599 22.989 3.076 -2.151 1.00 0.00 H new ATOM 0 HE21 GLN A 599 22.208 0.995 -2.558 1.00 0.00 H new ATOM 0 HE22 GLN A 599 20.530 0.695 -3.022 1.00 0.00 H new ATOM 797 N PRO A 600 22.993 7.946 -2.799 1.00 0.00 N ATOM 798 CA PRO A 600 22.599 9.358 -2.865 1.00 0.00 C ATOM 799 C PRO A 600 21.150 9.593 -2.416 1.00 0.00 C ATOM 800 O PRO A 600 20.282 8.729 -2.572 1.00 0.00 O ATOM 801 CB PRO A 600 22.750 9.690 -4.349 1.00 0.00 C ATOM 802 CG PRO A 600 23.798 8.755 -4.851 1.00 0.00 C ATOM 803 CD PRO A 600 23.686 7.503 -4.022 1.00 0.00 C ATOM 0 HA PRO A 600 23.203 9.978 -2.202 1.00 0.00 H new ATOM 0 HB2 PRO A 600 21.809 9.551 -4.882 1.00 0.00 H new ATOM 0 HB3 PRO A 600 23.047 10.729 -4.492 1.00 0.00 H new ATOM 0 HG2 PRO A 600 23.648 8.535 -5.908 1.00 0.00 H new ATOM 0 HG3 PRO A 600 24.790 9.196 -4.755 1.00 0.00 H new ATOM 0 HD2 PRO A 600 23.122 6.729 -4.542 1.00 0.00 H new ATOM 0 HD3 PRO A 600 24.667 7.085 -3.796 1.00 0.00 H new ATOM 811 N HIS A 601 20.915 10.783 -1.863 1.00 0.00 N ATOM 812 CA HIS A 601 19.599 11.203 -1.370 1.00 0.00 C ATOM 813 C HIS A 601 18.538 11.052 -2.449 1.00 0.00 C ATOM 814 O HIS A 601 17.411 10.674 -2.167 1.00 0.00 O ATOM 815 CB HIS A 601 19.680 12.669 -0.917 1.00 0.00 C ATOM 816 CG HIS A 601 18.425 13.253 -0.334 1.00 0.00 C ATOM 817 ND1 HIS A 601 18.169 13.293 1.023 1.00 0.00 N ATOM 818 CD2 HIS A 601 17.383 13.886 -0.925 1.00 0.00 C ATOM 819 CE1 HIS A 601 17.030 13.923 1.236 1.00 0.00 C ATOM 820 NE2 HIS A 601 16.534 14.293 0.073 1.00 0.00 N ATOM 0 H HIS A 601 21.639 11.491 -1.743 1.00 0.00 H new ATOM 0 HA HIS A 601 19.317 10.567 -0.531 1.00 0.00 H new ATOM 0 HB2 HIS A 601 20.475 12.755 -0.176 1.00 0.00 H new ATOM 0 HB3 HIS A 601 19.975 13.276 -1.773 1.00 0.00 H new ATOM 0 HD2 HIS A 601 17.246 14.041 -1.985 1.00 0.00 H new ATOM 0 HE1 HIS A 601 16.580 14.105 2.201 1.00 0.00 H new ATOM 0 HE2 HIS A 601 15.660 14.800 -0.064 1.00 0.00 H new ATOM 829 N GLU A 602 18.910 11.343 -3.684 1.00 0.00 N ATOM 830 CA GLU A 602 17.976 11.280 -4.797 1.00 0.00 C ATOM 831 C GLU A 602 17.565 9.840 -5.108 1.00 0.00 C ATOM 832 O GLU A 602 16.435 9.594 -5.526 1.00 0.00 O ATOM 833 CB GLU A 602 18.594 11.944 -6.019 1.00 0.00 C ATOM 834 CG GLU A 602 18.900 13.413 -5.793 1.00 0.00 C ATOM 835 CD GLU A 602 19.703 14.025 -6.918 1.00 0.00 C ATOM 836 OE1 GLU A 602 19.167 14.148 -8.042 1.00 0.00 O ATOM 837 OE2 GLU A 602 20.877 14.382 -6.685 1.00 0.00 O ATOM 0 H GLU A 602 19.855 11.626 -3.942 1.00 0.00 H new ATOM 0 HA GLU A 602 17.070 11.817 -4.517 1.00 0.00 H new ATOM 0 HB2 GLU A 602 19.513 11.422 -6.286 1.00 0.00 H new ATOM 0 HB3 GLU A 602 17.914 11.844 -6.865 1.00 0.00 H new ATOM 0 HG2 GLU A 602 17.964 13.961 -5.681 1.00 0.00 H new ATOM 0 HG3 GLU A 602 19.449 13.525 -4.858 1.00 0.00 H new ATOM 844 N GLN A 603 18.477 8.896 -4.881 1.00 0.00 N ATOM 845 CA GLN A 603 18.179 7.476 -5.082 1.00 0.00 C ATOM 846 C GLN A 603 17.325 6.978 -3.942 1.00 0.00 C ATOM 847 O GLN A 603 16.256 6.399 -4.132 1.00 0.00 O ATOM 848 CB GLN A 603 19.456 6.633 -5.092 1.00 0.00 C ATOM 849 CG GLN A 603 20.599 7.241 -5.867 1.00 0.00 C ATOM 850 CD GLN A 603 20.303 7.362 -7.348 1.00 0.00 C ATOM 851 OE1 GLN A 603 19.793 8.383 -7.809 1.00 0.00 O ATOM 852 NE2 GLN A 603 20.614 6.321 -8.103 1.00 0.00 N ATOM 0 H GLN A 603 19.426 9.086 -4.559 1.00 0.00 H new ATOM 0 HA GLN A 603 17.669 7.380 -6.040 1.00 0.00 H new ATOM 0 HB2 GLN A 603 19.777 6.470 -4.063 1.00 0.00 H new ATOM 0 HB3 GLN A 603 19.227 5.654 -5.514 1.00 0.00 H new ATOM 0 HG2 GLN A 603 20.821 8.229 -5.463 1.00 0.00 H new ATOM 0 HG3 GLN A 603 21.492 6.631 -5.728 1.00 0.00 H new ATOM 0 HE21 GLN A 603 21.036 5.493 -7.682 1.00 0.00 H new ATOM 0 HE22 GLN A 603 20.432 6.346 -9.106 1.00 0.00 H new ATOM 861 N THR A 604 17.821 7.228 -2.748 1.00 0.00 N ATOM 862 CA THR A 604 17.227 6.709 -1.544 1.00 0.00 C ATOM 863 C THR A 604 15.840 7.284 -1.311 1.00 0.00 C ATOM 864 O THR A 604 14.905 6.541 -1.046 1.00 0.00 O ATOM 865 CB THR A 604 18.136 6.984 -0.341 1.00 0.00 C ATOM 866 OG1 THR A 604 18.507 8.368 -0.313 1.00 0.00 O ATOM 867 CG2 THR A 604 19.390 6.131 -0.426 1.00 0.00 C ATOM 0 H THR A 604 18.651 7.800 -2.590 1.00 0.00 H new ATOM 0 HA THR A 604 17.118 5.631 -1.663 1.00 0.00 H new ATOM 0 HB THR A 604 17.591 6.735 0.570 1.00 0.00 H new ATOM 0 HG1 THR A 604 19.221 8.528 -0.965 1.00 0.00 H new ATOM 0 HG21 THR A 604 20.028 6.335 0.434 1.00 0.00 H new ATOM 0 HG22 THR A 604 19.113 5.077 -0.430 1.00 0.00 H new ATOM 0 HG23 THR A 604 19.930 6.368 -1.343 1.00 0.00 H new ATOM 875 N GLN A 605 15.705 8.596 -1.439 1.00 0.00 N ATOM 876 CA GLN A 605 14.415 9.255 -1.271 1.00 0.00 C ATOM 877 C GLN A 605 13.409 8.763 -2.300 1.00 0.00 C ATOM 878 O GLN A 605 12.226 8.637 -2.003 1.00 0.00 O ATOM 879 CB GLN A 605 14.573 10.769 -1.375 1.00 0.00 C ATOM 880 CG GLN A 605 15.128 11.396 -0.112 1.00 0.00 C ATOM 881 CD GLN A 605 14.144 11.329 1.041 1.00 0.00 C ATOM 882 OE1 GLN A 605 14.531 11.214 2.202 1.00 0.00 O ATOM 883 NE2 GLN A 605 12.862 11.422 0.727 1.00 0.00 N ATOM 0 H GLN A 605 16.475 9.228 -1.659 1.00 0.00 H new ATOM 0 HA GLN A 605 14.038 9.005 -0.279 1.00 0.00 H new ATOM 0 HB2 GLN A 605 15.233 11.003 -2.210 1.00 0.00 H new ATOM 0 HB3 GLN A 605 13.604 11.215 -1.600 1.00 0.00 H new ATOM 0 HG2 GLN A 605 16.050 10.887 0.169 1.00 0.00 H new ATOM 0 HG3 GLN A 605 15.385 12.437 -0.308 1.00 0.00 H new ATOM 0 HE21 GLN A 605 12.582 11.516 -0.249 1.00 0.00 H new ATOM 0 HE22 GLN A 605 12.154 11.399 1.461 1.00 0.00 H new ATOM 892 N LYS A 606 13.891 8.481 -3.501 1.00 0.00 N ATOM 893 CA LYS A 606 13.065 7.922 -4.559 1.00 0.00 C ATOM 894 C LYS A 606 12.431 6.614 -4.091 1.00 0.00 C ATOM 895 O LYS A 606 11.262 6.340 -4.358 1.00 0.00 O ATOM 896 CB LYS A 606 13.938 7.703 -5.800 1.00 0.00 C ATOM 897 CG LYS A 606 13.183 7.264 -7.039 1.00 0.00 C ATOM 898 CD LYS A 606 13.019 5.755 -7.088 1.00 0.00 C ATOM 899 CE LYS A 606 12.402 5.305 -8.401 1.00 0.00 C ATOM 900 NZ LYS A 606 12.219 3.830 -8.455 1.00 0.00 N ATOM 0 H LYS A 606 14.863 8.633 -3.769 1.00 0.00 H new ATOM 0 HA LYS A 606 12.257 8.610 -4.810 1.00 0.00 H new ATOM 0 HB2 LYS A 606 14.467 8.630 -6.023 1.00 0.00 H new ATOM 0 HB3 LYS A 606 14.694 6.953 -5.567 1.00 0.00 H new ATOM 0 HG2 LYS A 606 12.202 7.738 -7.055 1.00 0.00 H new ATOM 0 HG3 LYS A 606 13.715 7.602 -7.929 1.00 0.00 H new ATOM 0 HD2 LYS A 606 13.990 5.278 -6.959 1.00 0.00 H new ATOM 0 HD3 LYS A 606 12.391 5.429 -6.259 1.00 0.00 H new ATOM 0 HE2 LYS A 606 11.438 5.795 -8.535 1.00 0.00 H new ATOM 0 HE3 LYS A 606 13.038 5.622 -9.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 11.796 3.566 -9.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 13.142 3.362 -8.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 11.591 3.530 -7.682 1.00 0.00 H new ATOM 914 N VAL A 607 13.213 5.824 -3.373 1.00 0.00 N ATOM 915 CA VAL A 607 12.745 4.548 -2.852 1.00 0.00 C ATOM 916 C VAL A 607 11.953 4.746 -1.559 1.00 0.00 C ATOM 917 O VAL A 607 10.866 4.195 -1.394 1.00 0.00 O ATOM 918 CB VAL A 607 13.923 3.588 -2.590 1.00 0.00 C ATOM 919 CG1 VAL A 607 13.424 2.244 -2.076 1.00 0.00 C ATOM 920 CG2 VAL A 607 14.752 3.405 -3.853 1.00 0.00 C ATOM 0 H VAL A 607 14.180 6.045 -3.136 1.00 0.00 H new ATOM 0 HA VAL A 607 12.094 4.108 -3.607 1.00 0.00 H new ATOM 0 HB VAL A 607 14.558 4.029 -1.821 1.00 0.00 H new ATOM 0 HG11 VAL A 607 14.273 1.584 -1.899 1.00 0.00 H new ATOM 0 HG12 VAL A 607 12.878 2.391 -1.144 1.00 0.00 H new ATOM 0 HG13 VAL A 607 12.763 1.794 -2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 607 15.579 2.725 -3.650 1.00 0.00 H new ATOM 0 HG22 VAL A 607 14.126 2.989 -4.642 1.00 0.00 H new ATOM 0 HG23 VAL A 607 15.146 4.370 -4.173 1.00 0.00 H new ATOM 930 N LEU A 608 12.503 5.553 -0.661 1.00 0.00 N ATOM 931 CA LEU A 608 11.897 5.814 0.643 1.00 0.00 C ATOM 932 C LEU A 608 10.499 6.401 0.502 1.00 0.00 C ATOM 933 O LEU A 608 9.579 6.007 1.217 1.00 0.00 O ATOM 934 CB LEU A 608 12.774 6.775 1.448 1.00 0.00 C ATOM 935 CG LEU A 608 14.166 6.253 1.793 1.00 0.00 C ATOM 936 CD1 LEU A 608 14.999 7.342 2.445 1.00 0.00 C ATOM 937 CD2 LEU A 608 14.069 5.042 2.708 1.00 0.00 C ATOM 0 H LEU A 608 13.382 6.047 -0.814 1.00 0.00 H new ATOM 0 HA LEU A 608 11.817 4.861 1.166 1.00 0.00 H new ATOM 0 HB2 LEU A 608 12.881 7.702 0.885 1.00 0.00 H new ATOM 0 HB3 LEU A 608 12.257 7.023 2.375 1.00 0.00 H new ATOM 0 HG LEU A 608 14.657 5.951 0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 608 15.988 6.950 2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 608 15.098 8.184 1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 608 14.510 7.675 3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 608 15.071 4.683 2.944 1.00 0.00 H new ATOM 0 HD22 LEU A 608 13.558 5.322 3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 608 13.509 4.252 2.208 1.00 0.00 H new ATOM 949 N ALA A 609 10.351 7.341 -0.421 1.00 0.00 N ATOM 950 CA ALA A 609 9.072 7.989 -0.657 1.00 0.00 C ATOM 951 C ALA A 609 8.055 6.995 -1.204 1.00 0.00 C ATOM 952 O ALA A 609 6.905 6.967 -0.766 1.00 0.00 O ATOM 953 CB ALA A 609 9.249 9.162 -1.609 1.00 0.00 C ATOM 0 H ALA A 609 11.107 7.672 -1.021 1.00 0.00 H new ATOM 0 HA ALA A 609 8.692 8.367 0.292 1.00 0.00 H new ATOM 0 HB1 ALA A 609 8.285 9.641 -1.779 1.00 0.00 H new ATOM 0 HB2 ALA A 609 9.940 9.883 -1.173 1.00 0.00 H new ATOM 0 HB3 ALA A 609 9.649 8.804 -2.558 1.00 0.00 H new ATOM 959 N ASP A 610 8.493 6.167 -2.147 1.00 0.00 N ATOM 960 CA ASP A 610 7.630 5.143 -2.730 1.00 0.00 C ATOM 961 C ASP A 610 7.262 4.106 -1.676 1.00 0.00 C ATOM 962 O ASP A 610 6.131 3.620 -1.630 1.00 0.00 O ATOM 963 CB ASP A 610 8.322 4.478 -3.923 1.00 0.00 C ATOM 964 CG ASP A 610 7.399 3.567 -4.713 1.00 0.00 C ATOM 965 OD1 ASP A 610 6.236 3.955 -4.967 1.00 0.00 O ATOM 966 OD2 ASP A 610 7.845 2.472 -5.124 1.00 0.00 O ATOM 0 H ASP A 610 9.440 6.184 -2.525 1.00 0.00 H new ATOM 0 HA ASP A 610 6.715 5.616 -3.086 1.00 0.00 H new ATOM 0 HB2 ASP A 610 8.715 5.250 -4.585 1.00 0.00 H new ATOM 0 HB3 ASP A 610 9.175 3.901 -3.566 1.00 0.00 H new ATOM 971 N MET A 611 8.225 3.788 -0.815 1.00 0.00 N ATOM 972 CA MET A 611 7.999 2.877 0.305 1.00 0.00 C ATOM 973 C MET A 611 6.957 3.439 1.259 1.00 0.00 C ATOM 974 O MET A 611 6.003 2.754 1.633 1.00 0.00 O ATOM 975 CB MET A 611 9.308 2.627 1.058 1.00 0.00 C ATOM 976 CG MET A 611 9.129 1.828 2.341 1.00 0.00 C ATOM 977 SD MET A 611 10.688 1.508 3.185 1.00 0.00 S ATOM 978 CE MET A 611 11.123 3.165 3.697 1.00 0.00 C ATOM 0 H MET A 611 9.177 4.151 -0.872 1.00 0.00 H new ATOM 0 HA MET A 611 7.630 1.933 -0.096 1.00 0.00 H new ATOM 0 HB2 MET A 611 9.999 2.097 0.403 1.00 0.00 H new ATOM 0 HB3 MET A 611 9.768 3.585 1.298 1.00 0.00 H new ATOM 0 HG2 MET A 611 8.462 2.370 3.012 1.00 0.00 H new ATOM 0 HG3 MET A 611 8.645 0.879 2.109 1.00 0.00 H new ATOM 0 HE1 MET A 611 11.701 3.121 4.620 1.00 0.00 H new ATOM 0 HE2 MET A 611 11.718 3.642 2.918 1.00 0.00 H new ATOM 0 HE3 MET A 611 10.215 3.744 3.865 1.00 0.00 H new ATOM 988 N ALA A 612 7.140 4.694 1.640 1.00 0.00 N ATOM 989 CA ALA A 612 6.240 5.340 2.575 1.00 0.00 C ATOM 990 C ALA A 612 4.852 5.489 1.968 1.00 0.00 C ATOM 991 O ALA A 612 3.847 5.324 2.651 1.00 0.00 O ATOM 992 CB ALA A 612 6.791 6.692 3.003 1.00 0.00 C ATOM 0 H ALA A 612 7.906 5.284 1.314 1.00 0.00 H new ATOM 0 HA ALA A 612 6.157 4.711 3.461 1.00 0.00 H new ATOM 0 HB1 ALA A 612 6.101 7.161 3.705 1.00 0.00 H new ATOM 0 HB2 ALA A 612 7.760 6.555 3.484 1.00 0.00 H new ATOM 0 HB3 ALA A 612 6.908 7.331 2.128 1.00 0.00 H new ATOM 998 N ALA A 613 4.802 5.789 0.676 1.00 0.00 N ATOM 999 CA ALA A 613 3.531 5.919 -0.019 1.00 0.00 C ATOM 1000 C ALA A 613 2.853 4.564 -0.182 1.00 0.00 C ATOM 1001 O ALA A 613 1.633 4.482 -0.311 1.00 0.00 O ATOM 1002 CB ALA A 613 3.718 6.576 -1.370 1.00 0.00 C ATOM 0 H ALA A 613 5.623 5.946 0.092 1.00 0.00 H new ATOM 0 HA ALA A 613 2.887 6.554 0.589 1.00 0.00 H new ATOM 0 HB1 ALA A 613 2.753 6.662 -1.870 1.00 0.00 H new ATOM 0 HB2 ALA A 613 4.146 7.569 -1.235 1.00 0.00 H new ATOM 0 HB3 ALA A 613 4.389 5.971 -1.979 1.00 0.00 H new ATOM 1008 N ALA A 614 3.648 3.503 -0.188 1.00 0.00 N ATOM 1009 CA ALA A 614 3.114 2.155 -0.298 1.00 0.00 C ATOM 1010 C ALA A 614 2.280 1.808 0.925 1.00 0.00 C ATOM 1011 O ALA A 614 1.125 1.410 0.803 1.00 0.00 O ATOM 1012 CB ALA A 614 4.237 1.148 -0.485 1.00 0.00 C ATOM 0 H ALA A 614 4.664 3.551 -0.118 1.00 0.00 H new ATOM 0 HA ALA A 614 2.468 2.113 -1.175 1.00 0.00 H new ATOM 0 HB1 ALA A 614 3.817 0.145 -0.565 1.00 0.00 H new ATOM 0 HB2 ALA A 614 4.789 1.384 -1.395 1.00 0.00 H new ATOM 0 HB3 ALA A 614 4.911 1.192 0.371 1.00 0.00 H new ATOM 1018 N GLU A 615 2.865 1.979 2.104 1.00 0.00 N ATOM 1019 CA GLU A 615 2.151 1.730 3.351 1.00 0.00 C ATOM 1020 C GLU A 615 1.045 2.764 3.552 1.00 0.00 C ATOM 1021 O GLU A 615 -0.039 2.435 4.021 1.00 0.00 O ATOM 1022 CB GLU A 615 3.120 1.730 4.537 1.00 0.00 C ATOM 1023 CG GLU A 615 3.996 2.969 4.617 1.00 0.00 C ATOM 1024 CD GLU A 615 4.863 2.992 5.854 1.00 0.00 C ATOM 1025 OE1 GLU A 615 5.865 2.250 5.898 1.00 0.00 O ATOM 1026 OE2 GLU A 615 4.545 3.751 6.793 1.00 0.00 O ATOM 0 H GLU A 615 3.830 2.288 2.223 1.00 0.00 H new ATOM 0 HA GLU A 615 1.688 0.745 3.292 1.00 0.00 H new ATOM 0 HB2 GLU A 615 2.548 1.641 5.461 1.00 0.00 H new ATOM 0 HB3 GLU A 615 3.759 0.849 4.472 1.00 0.00 H new ATOM 0 HG2 GLU A 615 4.631 3.018 3.732 1.00 0.00 H new ATOM 0 HG3 GLU A 615 3.364 3.857 4.605 1.00 0.00 H new ATOM 1033 N GLN A 616 1.334 4.008 3.174 1.00 0.00 N ATOM 1034 CA GLN A 616 0.353 5.093 3.200 1.00 0.00 C ATOM 1035 C GLN A 616 -0.909 4.693 2.437 1.00 0.00 C ATOM 1036 O GLN A 616 -2.026 4.786 2.957 1.00 0.00 O ATOM 1037 CB GLN A 616 0.991 6.347 2.585 1.00 0.00 C ATOM 1038 CG GLN A 616 0.029 7.464 2.210 1.00 0.00 C ATOM 1039 CD GLN A 616 -0.639 8.125 3.402 1.00 0.00 C ATOM 1040 OE1 GLN A 616 -0.876 7.500 4.437 1.00 0.00 O ATOM 1041 NE2 GLN A 616 -0.937 9.406 3.267 1.00 0.00 N ATOM 0 H GLN A 616 2.255 4.293 2.841 1.00 0.00 H new ATOM 0 HA GLN A 616 0.061 5.302 4.229 1.00 0.00 H new ATOM 0 HB2 GLN A 616 1.721 6.744 3.291 1.00 0.00 H new ATOM 0 HB3 GLN A 616 1.540 6.051 1.691 1.00 0.00 H new ATOM 0 HG2 GLN A 616 0.570 8.221 1.643 1.00 0.00 H new ATOM 0 HG3 GLN A 616 -0.741 7.062 1.551 1.00 0.00 H new ATOM 0 HE21 GLN A 616 -0.725 9.890 2.394 1.00 0.00 H new ATOM 0 HE22 GLN A 616 -1.379 9.911 4.036 1.00 0.00 H new ATOM 1050 N GLU A 617 -0.719 4.237 1.205 1.00 0.00 N ATOM 1051 CA GLU A 617 -1.824 3.792 0.371 1.00 0.00 C ATOM 1052 C GLU A 617 -2.446 2.525 0.954 1.00 0.00 C ATOM 1053 O GLU A 617 -3.666 2.401 1.033 1.00 0.00 O ATOM 1054 CB GLU A 617 -1.325 3.526 -1.051 1.00 0.00 C ATOM 1055 CG GLU A 617 -2.427 3.224 -2.053 1.00 0.00 C ATOM 1056 CD GLU A 617 -3.195 4.455 -2.473 1.00 0.00 C ATOM 1057 OE1 GLU A 617 -2.698 5.201 -3.347 1.00 0.00 O ATOM 1058 OE2 GLU A 617 -4.306 4.675 -1.953 1.00 0.00 O ATOM 0 H GLU A 617 0.197 4.166 0.761 1.00 0.00 H new ATOM 0 HA GLU A 617 -2.584 4.573 0.342 1.00 0.00 H new ATOM 0 HB2 GLU A 617 -0.765 4.395 -1.396 1.00 0.00 H new ATOM 0 HB3 GLU A 617 -0.630 2.687 -1.029 1.00 0.00 H new ATOM 0 HG2 GLU A 617 -1.990 2.756 -2.935 1.00 0.00 H new ATOM 0 HG3 GLU A 617 -3.118 2.502 -1.618 1.00 0.00 H new ATOM 1065 N LEU A 618 -1.591 1.604 1.383 1.00 0.00 N ATOM 1066 CA LEU A 618 -2.030 0.318 1.914 1.00 0.00 C ATOM 1067 C LEU A 618 -2.977 0.490 3.099 1.00 0.00 C ATOM 1068 O LEU A 618 -4.059 -0.092 3.120 1.00 0.00 O ATOM 1069 CB LEU A 618 -0.817 -0.518 2.340 1.00 0.00 C ATOM 1070 CG LEU A 618 -1.135 -1.905 2.905 1.00 0.00 C ATOM 1071 CD1 LEU A 618 -1.829 -2.763 1.866 1.00 0.00 C ATOM 1072 CD2 LEU A 618 0.136 -2.586 3.376 1.00 0.00 C ATOM 0 H LEU A 618 -0.578 1.726 1.373 1.00 0.00 H new ATOM 0 HA LEU A 618 -2.572 -0.198 1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 618 -0.160 -0.638 1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 618 -0.259 0.041 3.091 1.00 0.00 H new ATOM 0 HG LEU A 618 -1.806 -1.780 3.755 1.00 0.00 H new ATOM 0 HD11 LEU A 618 -2.045 -3.744 2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 618 -2.761 -2.285 1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 618 -1.181 -2.878 0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 618 -0.106 -3.571 3.775 1.00 0.00 H new ATOM 0 HD22 LEU A 618 0.824 -2.693 2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 618 0.604 -1.984 4.155 1.00 0.00 H new ATOM 1084 N GLU A 619 -2.576 1.295 4.074 1.00 0.00 N ATOM 1085 CA GLU A 619 -3.354 1.435 5.294 1.00 0.00 C ATOM 1086 C GLU A 619 -4.680 2.148 5.036 1.00 0.00 C ATOM 1087 O GLU A 619 -5.713 1.746 5.576 1.00 0.00 O ATOM 1088 CB GLU A 619 -2.552 2.158 6.383 1.00 0.00 C ATOM 1089 CG GLU A 619 -2.142 3.577 6.020 1.00 0.00 C ATOM 1090 CD GLU A 619 -1.476 4.301 7.170 1.00 0.00 C ATOM 1091 OE1 GLU A 619 -2.151 4.549 8.190 1.00 0.00 O ATOM 1092 OE2 GLU A 619 -0.273 4.621 7.063 1.00 0.00 O ATOM 0 H GLU A 619 -1.724 1.856 4.044 1.00 0.00 H new ATOM 0 HA GLU A 619 -3.581 0.430 5.650 1.00 0.00 H new ATOM 0 HB2 GLU A 619 -3.146 2.186 7.297 1.00 0.00 H new ATOM 0 HB3 GLU A 619 -1.656 1.578 6.603 1.00 0.00 H new ATOM 0 HG2 GLU A 619 -1.461 3.548 5.170 1.00 0.00 H new ATOM 0 HG3 GLU A 619 -3.023 4.136 5.704 1.00 0.00 H new ATOM 1099 N GLN A 620 -4.664 3.187 4.198 1.00 0.00 N ATOM 1100 CA GLN A 620 -5.887 3.931 3.913 1.00 0.00 C ATOM 1101 C GLN A 620 -6.834 3.102 3.058 1.00 0.00 C ATOM 1102 O GLN A 620 -8.053 3.177 3.208 1.00 0.00 O ATOM 1103 CB GLN A 620 -5.594 5.269 3.227 1.00 0.00 C ATOM 1104 CG GLN A 620 -4.932 5.150 1.865 1.00 0.00 C ATOM 1105 CD GLN A 620 -4.703 6.501 1.222 1.00 0.00 C ATOM 1106 OE1 GLN A 620 -5.565 7.022 0.513 1.00 0.00 O ATOM 1107 NE2 GLN A 620 -3.536 7.076 1.456 1.00 0.00 N ATOM 0 H GLN A 620 -3.833 3.526 3.714 1.00 0.00 H new ATOM 0 HA GLN A 620 -6.365 4.144 4.869 1.00 0.00 H new ATOM 0 HB2 GLN A 620 -6.529 5.817 3.115 1.00 0.00 H new ATOM 0 HB3 GLN A 620 -4.952 5.863 3.878 1.00 0.00 H new ATOM 0 HG2 GLN A 620 -3.978 4.633 1.970 1.00 0.00 H new ATOM 0 HG3 GLN A 620 -5.555 4.539 1.212 1.00 0.00 H new ATOM 0 HE21 GLN A 620 -2.848 6.612 2.049 1.00 0.00 H new ATOM 0 HE22 GLN A 620 -3.323 7.984 1.043 1.00 0.00 H new ATOM 1116 N ALA A 621 -6.269 2.299 2.169 1.00 0.00 N ATOM 1117 CA ALA A 621 -7.070 1.432 1.329 1.00 0.00 C ATOM 1118 C ALA A 621 -7.661 0.298 2.156 1.00 0.00 C ATOM 1119 O ALA A 621 -8.778 -0.149 1.909 1.00 0.00 O ATOM 1120 CB ALA A 621 -6.245 0.881 0.175 1.00 0.00 C ATOM 0 H ALA A 621 -5.263 2.232 2.014 1.00 0.00 H new ATOM 0 HA ALA A 621 -7.886 2.019 0.908 1.00 0.00 H new ATOM 0 HB1 ALA A 621 -6.868 0.233 -0.441 1.00 0.00 H new ATOM 0 HB2 ALA A 621 -5.870 1.706 -0.430 1.00 0.00 H new ATOM 0 HB3 ALA A 621 -5.405 0.309 0.569 1.00 0.00 H new ATOM 1126 N PHE A 622 -6.905 -0.147 3.153 1.00 0.00 N ATOM 1127 CA PHE A 622 -7.359 -1.199 4.054 1.00 0.00 C ATOM 1128 C PHE A 622 -8.599 -0.774 4.831 1.00 0.00 C ATOM 1129 O PHE A 622 -9.591 -1.498 4.873 1.00 0.00 O ATOM 1130 CB PHE A 622 -6.260 -1.572 5.039 1.00 0.00 C ATOM 1131 CG PHE A 622 -5.704 -2.950 4.833 1.00 0.00 C ATOM 1132 CD1 PHE A 622 -6.479 -4.068 5.102 1.00 0.00 C ATOM 1133 CD2 PHE A 622 -4.412 -3.129 4.373 1.00 0.00 C ATOM 1134 CE1 PHE A 622 -5.972 -5.338 4.914 1.00 0.00 C ATOM 1135 CE2 PHE A 622 -3.900 -4.397 4.184 1.00 0.00 C ATOM 1136 CZ PHE A 622 -4.681 -5.503 4.454 1.00 0.00 C ATOM 0 H PHE A 622 -5.970 0.207 3.358 1.00 0.00 H new ATOM 0 HA PHE A 622 -7.610 -2.063 3.438 1.00 0.00 H new ATOM 0 HB2 PHE A 622 -5.450 -0.847 4.956 1.00 0.00 H new ATOM 0 HB3 PHE A 622 -6.653 -1.497 6.053 1.00 0.00 H new ATOM 0 HD1 PHE A 622 -7.490 -3.944 5.462 1.00 0.00 H new ATOM 0 HD2 PHE A 622 -3.797 -2.267 4.159 1.00 0.00 H new ATOM 0 HE1 PHE A 622 -6.585 -6.202 5.127 1.00 0.00 H new ATOM 0 HE2 PHE A 622 -2.889 -4.524 3.825 1.00 0.00 H new ATOM 0 HZ PHE A 622 -4.283 -6.496 4.306 1.00 0.00 H new ATOM 1146 N GLU A 623 -8.538 0.399 5.450 1.00 0.00 N ATOM 1147 CA GLU A 623 -9.669 0.906 6.222 1.00 0.00 C ATOM 1148 C GLU A 623 -10.840 1.243 5.303 1.00 0.00 C ATOM 1149 O GLU A 623 -11.999 1.178 5.712 1.00 0.00 O ATOM 1150 CB GLU A 623 -9.259 2.114 7.066 1.00 0.00 C ATOM 1151 CG GLU A 623 -8.478 3.161 6.300 1.00 0.00 C ATOM 1152 CD GLU A 623 -7.911 4.234 7.202 1.00 0.00 C ATOM 1153 OE1 GLU A 623 -6.889 3.972 7.865 1.00 0.00 O ATOM 1154 OE2 GLU A 623 -8.482 5.344 7.255 1.00 0.00 O ATOM 0 H GLU A 623 -7.724 1.014 5.434 1.00 0.00 H new ATOM 0 HA GLU A 623 -9.994 0.122 6.906 1.00 0.00 H new ATOM 0 HB2 GLU A 623 -10.155 2.575 7.482 1.00 0.00 H new ATOM 0 HB3 GLU A 623 -8.658 1.770 7.907 1.00 0.00 H new ATOM 0 HG2 GLU A 623 -7.664 2.679 5.758 1.00 0.00 H new ATOM 0 HG3 GLU A 623 -9.127 3.622 5.556 1.00 0.00 H new ATOM 1161 N ARG A 624 -10.528 1.596 4.059 1.00 0.00 N ATOM 1162 CA ARG A 624 -11.542 1.718 3.019 1.00 0.00 C ATOM 1163 C ARG A 624 -12.231 0.374 2.830 1.00 0.00 C ATOM 1164 O ARG A 624 -13.454 0.279 2.880 1.00 0.00 O ATOM 1165 CB ARG A 624 -10.896 2.166 1.702 1.00 0.00 C ATOM 1166 CG ARG A 624 -11.810 2.141 0.486 1.00 0.00 C ATOM 1167 CD ARG A 624 -12.826 3.264 0.520 1.00 0.00 C ATOM 1168 NE ARG A 624 -13.367 3.547 -0.809 1.00 0.00 N ATOM 1169 CZ ARG A 624 -13.955 4.697 -1.142 1.00 0.00 C ATOM 1170 NH1 ARG A 624 -14.138 5.650 -0.232 1.00 0.00 N ATOM 1171 NH2 ARG A 624 -14.357 4.900 -2.392 1.00 0.00 N ATOM 0 H ARG A 624 -9.579 1.803 3.748 1.00 0.00 H new ATOM 0 HA ARG A 624 -12.278 2.465 3.317 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -10.516 3.180 1.829 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -10.036 1.526 1.503 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -11.210 2.221 -0.421 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -12.329 1.183 0.441 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -13.640 2.998 1.195 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -12.360 4.164 0.922 1.00 0.00 H new ATOM 0 HE ARG A 624 -13.290 2.823 -1.523 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -13.828 5.504 0.729 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -14.588 6.527 -0.495 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -14.216 4.176 -3.097 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -14.807 5.779 -2.647 1.00 0.00 H new ATOM 1185 N TRP A 625 -11.418 -0.661 2.647 1.00 0.00 N ATOM 1186 CA TRP A 625 -11.904 -2.016 2.435 1.00 0.00 C ATOM 1187 C TRP A 625 -12.757 -2.493 3.605 1.00 0.00 C ATOM 1188 O TRP A 625 -13.879 -2.964 3.414 1.00 0.00 O ATOM 1189 CB TRP A 625 -10.724 -2.967 2.229 1.00 0.00 C ATOM 1190 CG TRP A 625 -11.142 -4.398 2.128 1.00 0.00 C ATOM 1191 CD1 TRP A 625 -11.719 -5.008 1.056 1.00 0.00 C ATOM 1192 CD2 TRP A 625 -11.034 -5.391 3.152 1.00 0.00 C ATOM 1193 NE1 TRP A 625 -11.965 -6.329 1.346 1.00 0.00 N ATOM 1194 CE2 TRP A 625 -11.556 -6.586 2.629 1.00 0.00 C ATOM 1195 CE3 TRP A 625 -10.541 -5.384 4.459 1.00 0.00 C ATOM 1196 CZ2 TRP A 625 -11.603 -7.762 3.372 1.00 0.00 C ATOM 1197 CZ3 TRP A 625 -10.590 -6.550 5.194 1.00 0.00 C ATOM 1198 CH2 TRP A 625 -11.117 -7.725 4.650 1.00 0.00 C ATOM 0 H TRP A 625 -10.401 -0.582 2.642 1.00 0.00 H new ATOM 0 HA TRP A 625 -12.530 -2.012 1.543 1.00 0.00 H new ATOM 0 HB2 TRP A 625 -10.190 -2.685 1.322 1.00 0.00 H new ATOM 0 HB3 TRP A 625 -10.025 -2.855 3.058 1.00 0.00 H new ATOM 0 HD1 TRP A 625 -11.949 -4.526 0.117 1.00 0.00 H new ATOM 0 HE1 TRP A 625 -12.384 -7.008 0.710 1.00 0.00 H new ATOM 0 HE3 TRP A 625 -10.129 -4.482 4.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 625 -12.009 -8.671 2.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 625 -10.215 -6.555 6.207 1.00 0.00 H new ATOM 0 HH2 TRP A 625 -11.141 -8.622 5.251 1.00 0.00 H new ATOM 1209 N GLU A 626 -12.222 -2.371 4.816 1.00 0.00 N ATOM 1210 CA GLU A 626 -12.939 -2.801 6.010 1.00 0.00 C ATOM 1211 C GLU A 626 -14.256 -2.045 6.146 1.00 0.00 C ATOM 1212 O GLU A 626 -15.247 -2.596 6.613 1.00 0.00 O ATOM 1213 CB GLU A 626 -12.094 -2.596 7.266 1.00 0.00 C ATOM 1214 CG GLU A 626 -10.797 -3.390 7.277 1.00 0.00 C ATOM 1215 CD GLU A 626 -10.051 -3.267 8.590 1.00 0.00 C ATOM 1216 OE1 GLU A 626 -9.405 -2.222 8.817 1.00 0.00 O ATOM 1217 OE2 GLU A 626 -10.110 -4.211 9.407 1.00 0.00 O ATOM 0 H GLU A 626 -11.298 -1.979 4.995 1.00 0.00 H new ATOM 0 HA GLU A 626 -13.148 -3.866 5.904 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -11.860 -1.536 7.364 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -12.685 -2.874 8.138 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -11.016 -4.440 7.085 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -10.157 -3.044 6.465 1.00 0.00 H new ATOM 1224 N TYR A 627 -14.260 -0.782 5.737 1.00 0.00 N ATOM 1225 CA TYR A 627 -15.484 0.007 5.722 1.00 0.00 C ATOM 1226 C TYR A 627 -16.457 -0.549 4.695 1.00 0.00 C ATOM 1227 O TYR A 627 -17.648 -0.670 4.965 1.00 0.00 O ATOM 1228 CB TYR A 627 -15.172 1.482 5.433 1.00 0.00 C ATOM 1229 CG TYR A 627 -16.323 2.254 4.816 1.00 0.00 C ATOM 1230 CD1 TYR A 627 -17.540 2.402 5.475 1.00 0.00 C ATOM 1231 CD2 TYR A 627 -16.188 2.833 3.560 1.00 0.00 C ATOM 1232 CE1 TYR A 627 -18.581 3.102 4.900 1.00 0.00 C ATOM 1233 CE2 TYR A 627 -17.226 3.535 2.981 1.00 0.00 C ATOM 1234 CZ TYR A 627 -18.420 3.664 3.655 1.00 0.00 C ATOM 1235 OH TYR A 627 -19.458 4.370 3.087 1.00 0.00 O ATOM 0 H TYR A 627 -13.431 -0.284 5.412 1.00 0.00 H new ATOM 0 HA TYR A 627 -15.949 -0.054 6.706 1.00 0.00 H new ATOM 0 HB2 TYR A 627 -14.881 1.969 6.364 1.00 0.00 H new ATOM 0 HB3 TYR A 627 -14.314 1.535 4.763 1.00 0.00 H new ATOM 0 HD1 TYR A 627 -17.672 1.962 6.452 1.00 0.00 H new ATOM 0 HD2 TYR A 627 -15.254 2.732 3.027 1.00 0.00 H new ATOM 0 HE1 TYR A 627 -19.519 3.208 5.426 1.00 0.00 H new ATOM 0 HE2 TYR A 627 -17.102 3.981 2.005 1.00 0.00 H new ATOM 0 HH TYR A 627 -19.184 4.704 2.207 1.00 0.00 H new ATOM 1245 N LEU A 628 -15.941 -0.907 3.530 1.00 0.00 N ATOM 1246 CA LEU A 628 -16.772 -1.410 2.445 1.00 0.00 C ATOM 1247 C LEU A 628 -17.406 -2.746 2.821 1.00 0.00 C ATOM 1248 O LEU A 628 -18.601 -2.956 2.609 1.00 0.00 O ATOM 1249 CB LEU A 628 -15.949 -1.530 1.156 1.00 0.00 C ATOM 1250 CG LEU A 628 -15.333 -0.211 0.682 1.00 0.00 C ATOM 1251 CD1 LEU A 628 -14.602 -0.396 -0.638 1.00 0.00 C ATOM 1252 CD2 LEU A 628 -16.399 0.868 0.561 1.00 0.00 C ATOM 0 H LEU A 628 -14.946 -0.859 3.310 1.00 0.00 H new ATOM 0 HA LEU A 628 -17.580 -0.700 2.268 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -15.151 -2.255 1.314 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -16.587 -1.925 0.366 1.00 0.00 H new ATOM 0 HG LEU A 628 -14.606 0.109 1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -14.174 0.555 -0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -13.805 -1.129 -0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -15.302 -0.747 -1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -15.940 1.797 0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -17.155 0.554 -0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -16.867 1.027 1.532 1.00 0.00 H new ATOM 1264 N GLU A 629 -16.607 -3.638 3.392 1.00 0.00 N ATOM 1265 CA GLU A 629 -17.114 -4.912 3.886 1.00 0.00 C ATOM 1266 C GLU A 629 -18.119 -4.699 5.001 1.00 0.00 C ATOM 1267 O GLU A 629 -19.190 -5.311 5.014 1.00 0.00 O ATOM 1268 CB GLU A 629 -15.976 -5.795 4.387 1.00 0.00 C ATOM 1269 CG GLU A 629 -15.442 -6.744 3.335 1.00 0.00 C ATOM 1270 CD GLU A 629 -16.516 -7.697 2.842 1.00 0.00 C ATOM 1271 OE1 GLU A 629 -17.128 -8.391 3.679 1.00 0.00 O ATOM 1272 OE2 GLU A 629 -16.782 -7.735 1.624 1.00 0.00 O ATOM 0 H GLU A 629 -15.605 -3.503 3.525 1.00 0.00 H new ATOM 0 HA GLU A 629 -17.609 -5.412 3.054 1.00 0.00 H new ATOM 0 HB2 GLU A 629 -15.163 -5.161 4.740 1.00 0.00 H new ATOM 0 HB3 GLU A 629 -16.324 -6.373 5.243 1.00 0.00 H new ATOM 0 HG2 GLU A 629 -15.049 -6.172 2.494 1.00 0.00 H new ATOM 0 HG3 GLU A 629 -14.611 -7.315 3.748 1.00 0.00 H new ATOM 1279 N ALA A 630 -17.771 -3.825 5.930 1.00 0.00 N ATOM 1280 CA ALA A 630 -18.630 -3.535 7.062 1.00 0.00 C ATOM 1281 C ALA A 630 -19.922 -2.870 6.614 1.00 0.00 C ATOM 1282 O ALA A 630 -20.974 -3.089 7.203 1.00 0.00 O ATOM 1283 CB ALA A 630 -17.909 -2.660 8.063 1.00 0.00 C ATOM 0 H ALA A 630 -16.895 -3.302 5.921 1.00 0.00 H new ATOM 0 HA ALA A 630 -18.884 -4.481 7.541 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -18.568 -2.452 8.906 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -17.016 -3.174 8.419 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -17.622 -1.722 7.587 1.00 0.00 H new ATOM 1289 N LEU A 631 -19.837 -2.060 5.567 1.00 0.00 N ATOM 1290 CA LEU A 631 -21.004 -1.374 5.032 1.00 0.00 C ATOM 1291 C LEU A 631 -21.920 -2.364 4.336 1.00 0.00 C ATOM 1292 O LEU A 631 -23.142 -2.314 4.474 1.00 0.00 O ATOM 1293 CB LEU A 631 -20.584 -0.298 4.036 1.00 0.00 C ATOM 1294 CG LEU A 631 -21.667 0.725 3.719 1.00 0.00 C ATOM 1295 CD1 LEU A 631 -21.876 1.637 4.911 1.00 0.00 C ATOM 1296 CD2 LEU A 631 -21.305 1.527 2.484 1.00 0.00 C ATOM 0 H LEU A 631 -18.968 -1.862 5.070 1.00 0.00 H new ATOM 0 HA LEU A 631 -21.533 -0.907 5.863 1.00 0.00 H new ATOM 0 HB2 LEU A 631 -19.712 0.224 4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 631 -20.274 -0.780 3.109 1.00 0.00 H new ATOM 0 HG LEU A 631 -22.599 0.198 3.512 1.00 0.00 H new ATOM 0 HD11 LEU A 631 -22.652 2.367 4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 631 -22.181 1.044 5.773 1.00 0.00 H new ATOM 0 HD13 LEU A 631 -20.945 2.157 5.139 1.00 0.00 H new ATOM 0 HD21 LEU A 631 -22.093 2.251 2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 631 -20.365 2.052 2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 631 -21.197 0.855 1.633 1.00 0.00 H new ATOM 1308 N LYS A 632 -21.312 -3.265 3.583 1.00 0.00 N ATOM 1309 CA LYS A 632 -22.057 -4.275 2.859 1.00 0.00 C ATOM 1310 C LYS A 632 -22.749 -5.219 3.840 1.00 0.00 C ATOM 1311 O LYS A 632 -23.852 -5.702 3.585 1.00 0.00 O ATOM 1312 CB LYS A 632 -21.116 -5.046 1.927 1.00 0.00 C ATOM 1313 CG LYS A 632 -21.799 -6.118 1.094 1.00 0.00 C ATOM 1314 CD LYS A 632 -20.957 -6.513 -0.114 1.00 0.00 C ATOM 1315 CE LYS A 632 -19.520 -6.853 0.262 1.00 0.00 C ATOM 1316 NZ LYS A 632 -19.410 -8.105 1.058 1.00 0.00 N ATOM 0 H LYS A 632 -20.301 -3.316 3.458 1.00 0.00 H new ATOM 0 HA LYS A 632 -22.824 -3.793 2.253 1.00 0.00 H new ATOM 0 HB2 LYS A 632 -20.627 -4.338 1.257 1.00 0.00 H new ATOM 0 HB3 LYS A 632 -20.333 -5.512 2.525 1.00 0.00 H new ATOM 0 HG2 LYS A 632 -21.984 -6.997 1.712 1.00 0.00 H new ATOM 0 HG3 LYS A 632 -22.770 -5.754 0.758 1.00 0.00 H new ATOM 0 HD2 LYS A 632 -21.413 -7.372 -0.606 1.00 0.00 H new ATOM 0 HD3 LYS A 632 -20.957 -5.696 -0.835 1.00 0.00 H new ATOM 0 HE2 LYS A 632 -18.926 -6.953 -0.647 1.00 0.00 H new ATOM 0 HE3 LYS A 632 -19.094 -6.027 0.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 632 -18.409 -8.304 1.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 632 -19.924 -7.992 1.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 632 -19.820 -8.895 0.521 1.00 0.00 H new