USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=11 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 140:sc= -0.3 USER MOD Single : A 564 TYR OH : rot 180:sc= 0 USER MOD Single : A 565 LYS NZ :NH3+ -169:sc= -0.0155 (180deg=-0.119) USER MOD Single : A 567 GLN : amide:sc= -1.85! K(o=-1.8!,f=-0.58) USER MOD Single : A 572 GLN : amide:sc= -0.977 K(o=-0.98,f=0) USER MOD Single : A 575 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.19) USER MOD Single : A 583 LYS NZ :NH3+ -129:sc= 1.21 (180deg=0.475) USER MOD Single : A 588 GLN : amide:sc= -0.0315 K(o=-0.031,f=-1.1) USER MOD Single : A 589 THR OG1 : rot 180:sc= 0 USER MOD Single : A 590 GLN : amide:sc= 0.11 X(o=0.11,f=-0.033) USER MOD Single : A 595 SER OG : rot 180:sc= 0 USER MOD Single : A 598 SER OG : rot 180:sc= 0 USER MOD Single : A 599 GLN : amide:sc= -1.27! K(o=-1.3!,f=-0.011) USER MOD Single : A 601 HIS : no HD1:sc= -3.78! C(o=-3.8!,f=-3!) USER MOD Single : A 603 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 604 THR OG1 : rot -17:sc= -0.297 USER MOD Single : A 605 GLN : amide:sc= -1.85! C(o=-1.9!,f=-2.6!) USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 611 MET CE :methyl 137:sc= -0.934 (180deg=-1.69) USER MOD Single : A 616 GLN : amide:sc= -0.0169 X(o=-0.017,f=-0.35) USER MOD Single : A 620 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 627 TYR OH : rot 180:sc= 0 USER MOD Single : A 632 LYS NZ :NH3+ -172:sc= 1.27 (180deg=1.21) USER MOD ----------------------------------------------------------------- ATOM 198 N SER A 563 -23.450 0.633 -2.822 1.00 0.00 N ATOM 199 CA SER A 563 -23.627 1.006 -4.215 1.00 0.00 C ATOM 200 C SER A 563 -22.691 0.185 -5.108 1.00 0.00 C ATOM 201 O SER A 563 -21.699 -0.362 -4.622 1.00 0.00 O ATOM 202 CB SER A 563 -23.330 2.499 -4.382 1.00 0.00 C ATOM 203 OG SER A 563 -23.800 2.989 -5.628 1.00 0.00 O ATOM 0 HA SER A 563 -24.656 0.803 -4.511 1.00 0.00 H new ATOM 0 HB2 SER A 563 -23.798 3.057 -3.571 1.00 0.00 H new ATOM 0 HB3 SER A 563 -22.256 2.668 -4.306 1.00 0.00 H new ATOM 0 HG SER A 563 -24.192 3.878 -5.503 1.00 0.00 H new ATOM 209 N TYR A 564 -22.980 0.113 -6.407 1.00 0.00 N ATOM 210 CA TYR A 564 -22.122 -0.631 -7.331 1.00 0.00 C ATOM 211 C TYR A 564 -20.706 -0.077 -7.304 1.00 0.00 C ATOM 212 O TYR A 564 -19.738 -0.817 -7.498 1.00 0.00 O ATOM 213 CB TYR A 564 -22.658 -0.590 -8.762 1.00 0.00 C ATOM 214 CG TYR A 564 -21.823 -1.413 -9.718 1.00 0.00 C ATOM 215 CD1 TYR A 564 -22.021 -2.780 -9.832 1.00 0.00 C ATOM 216 CD2 TYR A 564 -20.813 -0.830 -10.474 1.00 0.00 C ATOM 217 CE1 TYR A 564 -21.247 -3.545 -10.678 1.00 0.00 C ATOM 218 CE2 TYR A 564 -20.029 -1.589 -11.321 1.00 0.00 C ATOM 219 CZ TYR A 564 -20.252 -2.949 -11.419 1.00 0.00 C ATOM 220 OH TYR A 564 -19.472 -3.717 -12.253 1.00 0.00 O ATOM 0 H TYR A 564 -23.791 0.555 -6.840 1.00 0.00 H new ATOM 0 HA TYR A 564 -22.116 -1.669 -6.999 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -23.684 -0.957 -8.773 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -22.686 0.444 -9.107 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -22.796 -3.254 -9.248 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -20.638 0.233 -10.398 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -21.421 -4.608 -10.759 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -19.247 -1.123 -11.902 1.00 0.00 H new ATOM 0 HH TYR A 564 -18.817 -3.146 -12.706 1.00 0.00 H new ATOM 230 N LYS A 565 -20.594 1.221 -7.052 1.00 0.00 N ATOM 231 CA LYS A 565 -19.291 1.869 -6.946 1.00 0.00 C ATOM 232 C LYS A 565 -18.422 1.122 -5.941 1.00 0.00 C ATOM 233 O LYS A 565 -17.230 0.934 -6.146 1.00 0.00 O ATOM 234 CB LYS A 565 -19.430 3.324 -6.487 1.00 0.00 C ATOM 235 CG LYS A 565 -20.757 3.974 -6.845 1.00 0.00 C ATOM 236 CD LYS A 565 -20.797 5.432 -6.420 1.00 0.00 C ATOM 237 CE LYS A 565 -22.179 6.038 -6.616 1.00 0.00 C ATOM 238 NZ LYS A 565 -22.684 5.855 -8.004 1.00 0.00 N ATOM 0 H LYS A 565 -21.389 1.846 -6.917 1.00 0.00 H new ATOM 0 HA LYS A 565 -18.830 1.852 -7.934 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -19.300 3.365 -5.406 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -18.623 3.909 -6.927 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -20.919 3.903 -7.921 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -21.570 3.431 -6.363 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -20.509 5.513 -5.372 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -20.066 5.999 -6.996 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -22.877 5.581 -5.915 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -22.143 7.102 -6.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -23.534 6.437 -8.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -21.950 6.145 -8.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -22.921 4.854 -8.158 1.00 0.00 H new ATOM 252 N LEU A 566 -19.044 0.674 -4.865 1.00 0.00 N ATOM 253 CA LEU A 566 -18.335 -0.041 -3.823 1.00 0.00 C ATOM 254 C LEU A 566 -18.262 -1.517 -4.161 1.00 0.00 C ATOM 255 O LEU A 566 -17.322 -2.202 -3.774 1.00 0.00 O ATOM 256 CB LEU A 566 -19.014 0.144 -2.468 1.00 0.00 C ATOM 257 CG LEU A 566 -19.164 1.586 -1.993 1.00 0.00 C ATOM 258 CD1 LEU A 566 -20.376 2.244 -2.624 1.00 0.00 C ATOM 259 CD2 LEU A 566 -19.273 1.622 -0.492 1.00 0.00 C ATOM 0 H LEU A 566 -20.042 0.794 -4.691 1.00 0.00 H new ATOM 0 HA LEU A 566 -17.326 0.368 -3.761 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -20.005 -0.309 -2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -18.446 -0.408 -1.719 1.00 0.00 H new ATOM 0 HG LEU A 566 -18.280 2.143 -2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -20.459 3.271 -2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -20.267 2.244 -3.709 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -21.274 1.691 -2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -19.380 2.655 -0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -20.144 1.047 -0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -18.374 1.190 -0.051 1.00 0.00 H new ATOM 271 N GLN A 567 -19.263 -1.996 -4.891 1.00 0.00 N ATOM 272 CA GLN A 567 -19.304 -3.388 -5.322 1.00 0.00 C ATOM 273 C GLN A 567 -18.040 -3.756 -6.087 1.00 0.00 C ATOM 274 O GLN A 567 -17.328 -4.690 -5.712 1.00 0.00 O ATOM 275 CB GLN A 567 -20.530 -3.655 -6.202 1.00 0.00 C ATOM 276 CG GLN A 567 -21.852 -3.621 -5.462 1.00 0.00 C ATOM 277 CD GLN A 567 -23.027 -3.996 -6.347 1.00 0.00 C ATOM 278 OE1 GLN A 567 -24.142 -3.509 -6.154 1.00 0.00 O ATOM 279 NE2 GLN A 567 -22.795 -4.877 -7.308 1.00 0.00 N ATOM 0 H GLN A 567 -20.060 -1.438 -5.198 1.00 0.00 H new ATOM 0 HA GLN A 567 -19.371 -4.006 -4.427 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -20.556 -2.915 -7.002 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -20.417 -4.631 -6.675 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -21.807 -4.305 -4.615 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -22.012 -2.622 -5.057 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -21.857 -5.257 -7.436 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -23.554 -5.175 -7.921 1.00 0.00 H new ATOM 288 N ARG A 568 -17.747 -3.003 -7.142 1.00 0.00 N ATOM 289 CA ARG A 568 -16.589 -3.298 -7.973 1.00 0.00 C ATOM 290 C ARG A 568 -15.314 -2.791 -7.307 1.00 0.00 C ATOM 291 O ARG A 568 -14.214 -3.253 -7.607 1.00 0.00 O ATOM 292 CB ARG A 568 -16.761 -2.725 -9.389 1.00 0.00 C ATOM 293 CG ARG A 568 -16.193 -1.331 -9.626 1.00 0.00 C ATOM 294 CD ARG A 568 -17.038 -0.254 -8.974 1.00 0.00 C ATOM 295 NE ARG A 568 -16.711 1.079 -9.490 1.00 0.00 N ATOM 296 CZ ARG A 568 -15.811 1.898 -8.939 1.00 0.00 C ATOM 297 NH1 ARG A 568 -15.131 1.519 -7.865 1.00 0.00 N ATOM 298 NH2 ARG A 568 -15.592 3.095 -9.463 1.00 0.00 N ATOM 0 H ARG A 568 -18.290 -2.192 -7.439 1.00 0.00 H new ATOM 0 HA ARG A 568 -16.504 -4.380 -8.076 1.00 0.00 H new ATOM 0 HB2 ARG A 568 -16.292 -3.410 -10.095 1.00 0.00 H new ATOM 0 HB3 ARG A 568 -17.825 -2.705 -9.623 1.00 0.00 H new ATOM 0 HG2 ARG A 568 -15.177 -1.282 -9.233 1.00 0.00 H new ATOM 0 HG3 ARG A 568 -16.130 -1.143 -10.698 1.00 0.00 H new ATOM 0 HD2 ARG A 568 -18.093 -0.463 -9.150 1.00 0.00 H new ATOM 0 HD3 ARG A 568 -16.884 -0.274 -7.895 1.00 0.00 H new ATOM 0 HE ARG A 568 -17.202 1.402 -10.323 1.00 0.00 H new ATOM 0 HH11 ARG A 568 -15.294 0.599 -7.456 1.00 0.00 H new ATOM 0 HH12 ARG A 568 -14.445 2.148 -7.448 1.00 0.00 H new ATOM 0 HH21 ARG A 568 -16.111 3.393 -10.289 1.00 0.00 H new ATOM 0 HH22 ARG A 568 -14.904 3.719 -9.040 1.00 0.00 H new ATOM 312 N GLU A 569 -15.473 -1.848 -6.385 1.00 0.00 N ATOM 313 CA GLU A 569 -14.347 -1.339 -5.612 1.00 0.00 C ATOM 314 C GLU A 569 -13.827 -2.445 -4.694 1.00 0.00 C ATOM 315 O GLU A 569 -12.636 -2.747 -4.668 1.00 0.00 O ATOM 316 CB GLU A 569 -14.771 -0.122 -4.778 1.00 0.00 C ATOM 317 CG GLU A 569 -13.603 0.731 -4.310 1.00 0.00 C ATOM 318 CD GLU A 569 -12.885 1.407 -5.461 1.00 0.00 C ATOM 319 OE1 GLU A 569 -11.955 0.803 -6.035 1.00 0.00 O ATOM 320 OE2 GLU A 569 -13.250 2.548 -5.805 1.00 0.00 O ATOM 0 H GLU A 569 -16.370 -1.421 -6.155 1.00 0.00 H new ATOM 0 HA GLU A 569 -13.557 -1.027 -6.296 1.00 0.00 H new ATOM 0 HB2 GLU A 569 -15.447 0.495 -5.369 1.00 0.00 H new ATOM 0 HB3 GLU A 569 -15.331 -0.465 -3.908 1.00 0.00 H new ATOM 0 HG2 GLU A 569 -13.965 1.489 -3.616 1.00 0.00 H new ATOM 0 HG3 GLU A 569 -12.898 0.107 -3.761 1.00 0.00 H new ATOM 327 N LEU A 570 -14.760 -3.070 -3.984 1.00 0.00 N ATOM 328 CA LEU A 570 -14.468 -4.146 -3.038 1.00 0.00 C ATOM 329 C LEU A 570 -13.944 -5.387 -3.773 1.00 0.00 C ATOM 330 O LEU A 570 -13.329 -6.263 -3.179 1.00 0.00 O ATOM 331 CB LEU A 570 -15.755 -4.476 -2.261 1.00 0.00 C ATOM 332 CG LEU A 570 -15.593 -4.974 -0.817 1.00 0.00 C ATOM 333 CD1 LEU A 570 -16.935 -4.963 -0.102 1.00 0.00 C ATOM 334 CD2 LEU A 570 -15.007 -6.374 -0.770 1.00 0.00 C ATOM 0 H LEU A 570 -15.752 -2.843 -4.048 1.00 0.00 H new ATOM 0 HA LEU A 570 -13.692 -3.825 -2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -16.378 -3.581 -2.242 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -16.303 -5.234 -2.821 1.00 0.00 H new ATOM 0 HG LEU A 570 -14.903 -4.297 -0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 570 -16.806 -5.318 0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -17.330 -3.947 -0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 570 -17.632 -5.616 -0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 570 -14.907 -6.692 0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 570 -15.666 -7.062 -1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 570 -14.026 -6.374 -1.245 1.00 0.00 H new ATOM 346 N GLU A 571 -14.188 -5.447 -5.069 1.00 0.00 N ATOM 347 CA GLU A 571 -13.803 -6.576 -5.873 1.00 0.00 C ATOM 348 C GLU A 571 -12.326 -6.508 -6.260 1.00 0.00 C ATOM 349 O GLU A 571 -11.644 -7.534 -6.325 1.00 0.00 O ATOM 350 CB GLU A 571 -14.714 -6.606 -7.097 1.00 0.00 C ATOM 351 CG GLU A 571 -14.025 -7.048 -8.353 1.00 0.00 C ATOM 352 CD GLU A 571 -14.977 -7.207 -9.515 1.00 0.00 C ATOM 353 OE1 GLU A 571 -15.952 -7.982 -9.388 1.00 0.00 O ATOM 354 OE2 GLU A 571 -14.755 -6.568 -10.561 1.00 0.00 O ATOM 0 H GLU A 571 -14.661 -4.708 -5.589 1.00 0.00 H new ATOM 0 HA GLU A 571 -13.919 -7.500 -5.307 1.00 0.00 H new ATOM 0 HB2 GLU A 571 -15.552 -7.275 -6.899 1.00 0.00 H new ATOM 0 HB3 GLU A 571 -15.130 -5.611 -7.253 1.00 0.00 H new ATOM 0 HG2 GLU A 571 -13.256 -6.322 -8.616 1.00 0.00 H new ATOM 0 HG3 GLU A 571 -13.519 -7.996 -8.171 1.00 0.00 H new ATOM 361 N GLN A 572 -11.830 -5.304 -6.487 1.00 0.00 N ATOM 362 CA GLN A 572 -10.449 -5.127 -6.908 1.00 0.00 C ATOM 363 C GLN A 572 -9.537 -4.872 -5.714 1.00 0.00 C ATOM 364 O GLN A 572 -8.384 -5.305 -5.682 1.00 0.00 O ATOM 365 CB GLN A 572 -10.341 -3.949 -7.874 1.00 0.00 C ATOM 366 CG GLN A 572 -11.100 -4.130 -9.179 1.00 0.00 C ATOM 367 CD GLN A 572 -11.049 -2.886 -10.050 1.00 0.00 C ATOM 368 OE1 GLN A 572 -11.970 -2.610 -10.817 1.00 0.00 O ATOM 369 NE2 GLN A 572 -9.976 -2.119 -9.933 1.00 0.00 N ATOM 0 H GLN A 572 -12.359 -4.438 -6.388 1.00 0.00 H new ATOM 0 HA GLN A 572 -10.134 -6.045 -7.403 1.00 0.00 H new ATOM 0 HB2 GLN A 572 -10.710 -3.052 -7.376 1.00 0.00 H new ATOM 0 HB3 GLN A 572 -9.289 -3.778 -8.101 1.00 0.00 H new ATOM 0 HG2 GLN A 572 -10.680 -4.973 -9.728 1.00 0.00 H new ATOM 0 HG3 GLN A 572 -12.139 -4.377 -8.962 1.00 0.00 H new ATOM 0 HE21 GLN A 572 -9.231 -2.379 -9.286 1.00 0.00 H new ATOM 0 HE22 GLN A 572 -9.894 -1.268 -10.489 1.00 0.00 H new ATOM 378 N LEU A 573 -10.092 -4.167 -4.742 1.00 0.00 N ATOM 379 CA LEU A 573 -9.365 -3.667 -3.573 1.00 0.00 C ATOM 380 C LEU A 573 -8.524 -4.758 -2.867 1.00 0.00 C ATOM 381 O LEU A 573 -7.357 -4.519 -2.581 1.00 0.00 O ATOM 382 CB LEU A 573 -10.384 -3.054 -2.606 1.00 0.00 C ATOM 383 CG LEU A 573 -9.913 -1.844 -1.801 1.00 0.00 C ATOM 384 CD1 LEU A 573 -11.051 -1.313 -0.954 1.00 0.00 C ATOM 385 CD2 LEU A 573 -8.717 -2.180 -0.933 1.00 0.00 C ATOM 0 H LEU A 573 -11.081 -3.918 -4.738 1.00 0.00 H new ATOM 0 HA LEU A 573 -8.648 -2.917 -3.908 1.00 0.00 H new ATOM 0 HB2 LEU A 573 -11.265 -2.762 -3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 573 -10.700 -3.828 -1.906 1.00 0.00 H new ATOM 0 HG LEU A 573 -9.599 -1.073 -2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 573 -10.708 -0.450 -0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 573 -11.877 -1.015 -1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 573 -11.388 -2.091 -0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 573 -8.411 -1.294 -0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 573 -8.985 -2.973 -0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 573 -7.893 -2.515 -1.563 1.00 0.00 H new ATOM 397 N PRO A 574 -9.081 -5.955 -2.559 1.00 0.00 N ATOM 398 CA PRO A 574 -8.325 -7.024 -1.880 1.00 0.00 C ATOM 399 C PRO A 574 -7.017 -7.374 -2.589 1.00 0.00 C ATOM 400 O PRO A 574 -5.988 -7.580 -1.939 1.00 0.00 O ATOM 401 CB PRO A 574 -9.279 -8.215 -1.908 1.00 0.00 C ATOM 402 CG PRO A 574 -10.629 -7.601 -1.974 1.00 0.00 C ATOM 403 CD PRO A 574 -10.473 -6.364 -2.809 1.00 0.00 C ATOM 0 HA PRO A 574 -8.025 -6.721 -0.877 1.00 0.00 H new ATOM 0 HB2 PRO A 574 -9.091 -8.856 -2.770 1.00 0.00 H new ATOM 0 HB3 PRO A 574 -9.167 -8.836 -1.019 1.00 0.00 H new ATOM 0 HG2 PRO A 574 -11.349 -8.286 -2.421 1.00 0.00 H new ATOM 0 HG3 PRO A 574 -10.997 -7.357 -0.978 1.00 0.00 H new ATOM 0 HD2 PRO A 574 -10.648 -6.568 -3.865 1.00 0.00 H new ATOM 0 HD3 PRO A 574 -11.179 -5.588 -2.513 1.00 0.00 H new ATOM 411 N GLN A 575 -7.053 -7.423 -3.918 1.00 0.00 N ATOM 412 CA GLN A 575 -5.856 -7.715 -4.703 1.00 0.00 C ATOM 413 C GLN A 575 -4.897 -6.534 -4.659 1.00 0.00 C ATOM 414 O GLN A 575 -3.683 -6.692 -4.781 1.00 0.00 O ATOM 415 CB GLN A 575 -6.213 -8.042 -6.154 1.00 0.00 C ATOM 416 CG GLN A 575 -6.995 -9.338 -6.320 1.00 0.00 C ATOM 417 CD GLN A 575 -6.268 -10.536 -5.741 1.00 0.00 C ATOM 418 OE1 GLN A 575 -5.474 -11.185 -6.419 1.00 0.00 O ATOM 419 NE2 GLN A 575 -6.560 -10.859 -4.493 1.00 0.00 N ATOM 0 H GLN A 575 -7.894 -7.265 -4.473 1.00 0.00 H new ATOM 0 HA GLN A 575 -5.372 -8.588 -4.265 1.00 0.00 H new ATOM 0 HB2 GLN A 575 -6.798 -7.221 -6.568 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -5.295 -8.106 -6.738 1.00 0.00 H new ATOM 0 HG2 GLN A 575 -7.966 -9.237 -5.834 1.00 0.00 H new ATOM 0 HG3 GLN A 575 -7.185 -9.510 -7.379 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -7.224 -10.295 -3.962 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -6.121 -11.672 -4.061 1.00 0.00 H new ATOM 428 N LEU A 576 -5.457 -5.353 -4.479 1.00 0.00 N ATOM 429 CA LEU A 576 -4.672 -4.141 -4.354 1.00 0.00 C ATOM 430 C LEU A 576 -3.999 -4.078 -2.980 1.00 0.00 C ATOM 431 O LEU A 576 -2.896 -3.556 -2.846 1.00 0.00 O ATOM 432 CB LEU A 576 -5.561 -2.920 -4.584 1.00 0.00 C ATOM 433 CG LEU A 576 -4.930 -1.584 -4.225 1.00 0.00 C ATOM 434 CD1 LEU A 576 -3.809 -1.243 -5.194 1.00 0.00 C ATOM 435 CD2 LEU A 576 -5.976 -0.480 -4.196 1.00 0.00 C ATOM 0 H LEU A 576 -6.465 -5.207 -4.416 1.00 0.00 H new ATOM 0 HA LEU A 576 -3.888 -4.146 -5.111 1.00 0.00 H new ATOM 0 HB2 LEU A 576 -5.853 -2.896 -5.634 1.00 0.00 H new ATOM 0 HB3 LEU A 576 -6.475 -3.041 -4.002 1.00 0.00 H new ATOM 0 HG LEU A 576 -4.503 -1.668 -3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 576 -3.371 -0.283 -4.920 1.00 0.00 H new ATOM 0 HD12 LEU A 576 -3.043 -2.017 -5.151 1.00 0.00 H new ATOM 0 HD13 LEU A 576 -4.209 -1.183 -6.206 1.00 0.00 H new ATOM 0 HD21 LEU A 576 -5.500 0.466 -3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 576 -6.442 -0.395 -5.178 1.00 0.00 H new ATOM 0 HD23 LEU A 576 -6.737 -0.719 -3.453 1.00 0.00 H new ATOM 447 N LEU A 577 -4.668 -4.614 -1.965 1.00 0.00 N ATOM 448 CA LEU A 577 -4.071 -4.724 -0.637 1.00 0.00 C ATOM 449 C LEU A 577 -2.805 -5.545 -0.683 1.00 0.00 C ATOM 450 O LEU A 577 -1.743 -5.070 -0.302 1.00 0.00 O ATOM 451 CB LEU A 577 -5.042 -5.336 0.375 1.00 0.00 C ATOM 452 CG LEU A 577 -5.898 -4.350 1.172 1.00 0.00 C ATOM 453 CD1 LEU A 577 -5.606 -2.903 0.784 1.00 0.00 C ATOM 454 CD2 LEU A 577 -7.375 -4.673 1.019 1.00 0.00 C ATOM 0 H LEU A 577 -5.619 -4.977 -2.034 1.00 0.00 H new ATOM 0 HA LEU A 577 -3.832 -3.711 -0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.708 -6.015 -0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -4.468 -5.938 1.079 1.00 0.00 H new ATOM 0 HG LEU A 577 -5.633 -4.459 2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -6.234 -2.235 1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -4.557 -2.679 0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -5.818 -2.761 -0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -7.965 -3.959 1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -7.654 -4.610 -0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -7.567 -5.681 1.386 1.00 0.00 H new ATOM 466 N GLU A 578 -2.903 -6.765 -1.174 1.00 0.00 N ATOM 467 CA GLU A 578 -1.734 -7.621 -1.257 1.00 0.00 C ATOM 468 C GLU A 578 -0.715 -7.050 -2.245 1.00 0.00 C ATOM 469 O GLU A 578 0.466 -7.391 -2.194 1.00 0.00 O ATOM 470 CB GLU A 578 -2.121 -9.046 -1.647 1.00 0.00 C ATOM 471 CG GLU A 578 -2.963 -9.133 -2.902 1.00 0.00 C ATOM 472 CD GLU A 578 -3.146 -10.555 -3.370 1.00 0.00 C ATOM 473 OE1 GLU A 578 -3.890 -11.313 -2.717 1.00 0.00 O ATOM 474 OE2 GLU A 578 -2.539 -10.926 -4.391 1.00 0.00 O ATOM 0 H GLU A 578 -3.768 -7.183 -1.518 1.00 0.00 H new ATOM 0 HA GLU A 578 -1.274 -7.656 -0.269 1.00 0.00 H new ATOM 0 HB2 GLU A 578 -1.213 -9.632 -1.789 1.00 0.00 H new ATOM 0 HB3 GLU A 578 -2.669 -9.502 -0.822 1.00 0.00 H new ATOM 0 HG2 GLU A 578 -3.939 -8.686 -2.714 1.00 0.00 H new ATOM 0 HG3 GLU A 578 -2.493 -8.550 -3.694 1.00 0.00 H new ATOM 481 N ASP A 579 -1.185 -6.171 -3.132 1.00 0.00 N ATOM 482 CA ASP A 579 -0.307 -5.472 -4.066 1.00 0.00 C ATOM 483 C ASP A 579 0.569 -4.500 -3.304 1.00 0.00 C ATOM 484 O ASP A 579 1.789 -4.551 -3.379 1.00 0.00 O ATOM 485 CB ASP A 579 -1.117 -4.677 -5.089 1.00 0.00 C ATOM 486 CG ASP A 579 -0.439 -4.611 -6.441 1.00 0.00 C ATOM 487 OD1 ASP A 579 -0.512 -5.604 -7.196 1.00 0.00 O ATOM 488 OD2 ASP A 579 0.165 -3.568 -6.757 1.00 0.00 O ATOM 0 H ASP A 579 -2.171 -5.927 -3.221 1.00 0.00 H new ATOM 0 HA ASP A 579 0.297 -6.218 -4.583 1.00 0.00 H new ATOM 0 HB2 ASP A 579 -2.101 -5.132 -5.202 1.00 0.00 H new ATOM 0 HB3 ASP A 579 -1.275 -3.665 -4.716 1.00 0.00 H new ATOM 493 N LEU A 580 -0.085 -3.622 -2.554 1.00 0.00 N ATOM 494 CA LEU A 580 0.594 -2.598 -1.773 1.00 0.00 C ATOM 495 C LEU A 580 1.374 -3.223 -0.629 1.00 0.00 C ATOM 496 O LEU A 580 2.379 -2.682 -0.186 1.00 0.00 O ATOM 497 CB LEU A 580 -0.430 -1.609 -1.227 1.00 0.00 C ATOM 498 CG LEU A 580 -1.299 -0.945 -2.288 1.00 0.00 C ATOM 499 CD1 LEU A 580 -2.432 -0.173 -1.638 1.00 0.00 C ATOM 500 CD2 LEU A 580 -0.453 -0.038 -3.167 1.00 0.00 C ATOM 0 H LEU A 580 -1.101 -3.600 -2.471 1.00 0.00 H new ATOM 0 HA LEU A 580 1.297 -2.073 -2.420 1.00 0.00 H new ATOM 0 HB2 LEU A 580 -1.076 -2.129 -0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 580 0.095 -0.834 -0.669 1.00 0.00 H new ATOM 0 HG LEU A 580 -1.738 -1.718 -2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 580 -3.043 0.295 -2.410 1.00 0.00 H new ATOM 0 HD12 LEU A 580 -3.048 -0.855 -1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 580 -2.020 0.596 -0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 580 -1.085 0.431 -3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 580 0.012 0.733 -2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 580 0.322 -0.627 -3.658 1.00 0.00 H new ATOM 512 N GLU A 581 0.886 -4.358 -0.153 1.00 0.00 N ATOM 513 CA GLU A 581 1.562 -5.126 0.877 1.00 0.00 C ATOM 514 C GLU A 581 2.903 -5.617 0.355 1.00 0.00 C ATOM 515 O GLU A 581 3.954 -5.338 0.935 1.00 0.00 O ATOM 516 CB GLU A 581 0.699 -6.318 1.278 1.00 0.00 C ATOM 517 CG GLU A 581 1.263 -7.121 2.429 1.00 0.00 C ATOM 518 CD GLU A 581 0.535 -8.434 2.606 1.00 0.00 C ATOM 519 OE1 GLU A 581 -0.514 -8.451 3.284 1.00 0.00 O ATOM 520 OE2 GLU A 581 0.995 -9.450 2.048 1.00 0.00 O ATOM 0 H GLU A 581 0.010 -4.772 -0.471 1.00 0.00 H new ATOM 0 HA GLU A 581 1.727 -4.492 1.748 1.00 0.00 H new ATOM 0 HB2 GLU A 581 -0.294 -5.960 1.549 1.00 0.00 H new ATOM 0 HB3 GLU A 581 0.578 -6.973 0.415 1.00 0.00 H new ATOM 0 HG2 GLU A 581 2.322 -7.313 2.254 1.00 0.00 H new ATOM 0 HG3 GLU A 581 1.192 -6.539 3.348 1.00 0.00 H new ATOM 527 N ALA A 582 2.849 -6.336 -0.760 1.00 0.00 N ATOM 528 CA ALA A 582 4.048 -6.834 -1.421 1.00 0.00 C ATOM 529 C ALA A 582 4.926 -5.678 -1.885 1.00 0.00 C ATOM 530 O ALA A 582 6.151 -5.777 -1.904 1.00 0.00 O ATOM 531 CB ALA A 582 3.665 -7.717 -2.598 1.00 0.00 C ATOM 0 H ALA A 582 1.979 -6.589 -1.228 1.00 0.00 H new ATOM 0 HA ALA A 582 4.618 -7.428 -0.707 1.00 0.00 H new ATOM 0 HB1 ALA A 582 4.568 -8.085 -3.086 1.00 0.00 H new ATOM 0 HB2 ALA A 582 3.075 -8.562 -2.242 1.00 0.00 H new ATOM 0 HB3 ALA A 582 3.077 -7.139 -3.311 1.00 0.00 H new ATOM 537 N LYS A 583 4.281 -4.576 -2.249 1.00 0.00 N ATOM 538 CA LYS A 583 4.985 -3.372 -2.656 1.00 0.00 C ATOM 539 C LYS A 583 5.778 -2.815 -1.478 1.00 0.00 C ATOM 540 O LYS A 583 6.965 -2.510 -1.599 1.00 0.00 O ATOM 541 CB LYS A 583 4.000 -2.326 -3.172 1.00 0.00 C ATOM 542 CG LYS A 583 4.698 -1.100 -3.718 1.00 0.00 C ATOM 543 CD LYS A 583 3.733 0.015 -4.045 1.00 0.00 C ATOM 544 CE LYS A 583 4.489 1.315 -4.215 1.00 0.00 C ATOM 545 NZ LYS A 583 5.366 1.311 -5.419 1.00 0.00 N ATOM 0 H LYS A 583 3.264 -4.494 -2.270 1.00 0.00 H new ATOM 0 HA LYS A 583 5.674 -3.622 -3.463 1.00 0.00 H new ATOM 0 HB2 LYS A 583 3.381 -2.767 -3.953 1.00 0.00 H new ATOM 0 HB3 LYS A 583 3.331 -2.031 -2.364 1.00 0.00 H new ATOM 0 HG2 LYS A 583 5.426 -0.745 -2.988 1.00 0.00 H new ATOM 0 HG3 LYS A 583 5.253 -1.371 -4.616 1.00 0.00 H new ATOM 0 HD2 LYS A 583 3.187 -0.221 -4.958 1.00 0.00 H new ATOM 0 HD3 LYS A 583 2.995 0.114 -3.249 1.00 0.00 H new ATOM 0 HE2 LYS A 583 3.778 2.138 -4.290 1.00 0.00 H new ATOM 0 HE3 LYS A 583 5.096 1.498 -3.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 6.326 1.606 -5.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 5.398 0.353 -5.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 4.987 1.972 -6.127 1.00 0.00 H new ATOM 559 N LEU A 584 5.110 -2.710 -0.337 1.00 0.00 N ATOM 560 CA LEU A 584 5.730 -2.245 0.891 1.00 0.00 C ATOM 561 C LEU A 584 6.887 -3.168 1.268 1.00 0.00 C ATOM 562 O LEU A 584 7.987 -2.702 1.557 1.00 0.00 O ATOM 563 CB LEU A 584 4.669 -2.175 2.008 1.00 0.00 C ATOM 564 CG LEU A 584 5.111 -1.552 3.339 1.00 0.00 C ATOM 565 CD1 LEU A 584 5.793 -2.584 4.224 1.00 0.00 C ATOM 566 CD2 LEU A 584 6.026 -0.359 3.093 1.00 0.00 C ATOM 0 H LEU A 584 4.122 -2.946 -0.239 1.00 0.00 H new ATOM 0 HA LEU A 584 6.137 -1.244 0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 584 3.817 -1.608 1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 584 4.316 -3.187 2.206 1.00 0.00 H new ATOM 0 HG LEU A 584 4.222 -1.200 3.861 1.00 0.00 H new ATOM 0 HD11 LEU A 584 6.096 -2.116 5.161 1.00 0.00 H new ATOM 0 HD12 LEU A 584 5.100 -3.399 4.433 1.00 0.00 H new ATOM 0 HD13 LEU A 584 6.672 -2.977 3.713 1.00 0.00 H new ATOM 0 HD21 LEU A 584 6.329 0.070 4.048 1.00 0.00 H new ATOM 0 HD22 LEU A 584 6.910 -0.685 2.545 1.00 0.00 H new ATOM 0 HD23 LEU A 584 5.494 0.393 2.510 1.00 0.00 H new ATOM 578 N GLU A 585 6.635 -4.476 1.244 1.00 0.00 N ATOM 579 CA GLU A 585 7.676 -5.470 1.506 1.00 0.00 C ATOM 580 C GLU A 585 8.892 -5.252 0.604 1.00 0.00 C ATOM 581 O GLU A 585 10.030 -5.218 1.074 1.00 0.00 O ATOM 582 CB GLU A 585 7.121 -6.877 1.280 1.00 0.00 C ATOM 583 CG GLU A 585 6.139 -7.331 2.344 1.00 0.00 C ATOM 584 CD GLU A 585 6.823 -7.629 3.661 1.00 0.00 C ATOM 585 OE1 GLU A 585 7.351 -8.752 3.816 1.00 0.00 O ATOM 586 OE2 GLU A 585 6.839 -6.750 4.546 1.00 0.00 O ATOM 0 H GLU A 585 5.717 -4.873 1.045 1.00 0.00 H new ATOM 0 HA GLU A 585 7.992 -5.359 2.543 1.00 0.00 H new ATOM 0 HB2 GLU A 585 6.629 -6.911 0.308 1.00 0.00 H new ATOM 0 HB3 GLU A 585 7.951 -7.582 1.242 1.00 0.00 H new ATOM 0 HG2 GLU A 585 5.385 -6.558 2.494 1.00 0.00 H new ATOM 0 HG3 GLU A 585 5.617 -8.223 1.998 1.00 0.00 H new ATOM 593 N ALA A 586 8.632 -5.074 -0.687 1.00 0.00 N ATOM 594 CA ALA A 586 9.688 -4.922 -1.682 1.00 0.00 C ATOM 595 C ALA A 586 10.519 -3.675 -1.413 1.00 0.00 C ATOM 596 O ALA A 586 11.735 -3.661 -1.610 1.00 0.00 O ATOM 597 CB ALA A 586 9.080 -4.857 -3.074 1.00 0.00 C ATOM 0 H ALA A 586 7.688 -5.031 -1.072 1.00 0.00 H new ATOM 0 HA ALA A 586 10.348 -5.787 -1.617 1.00 0.00 H new ATOM 0 HB1 ALA A 586 9.873 -4.743 -3.813 1.00 0.00 H new ATOM 0 HB2 ALA A 586 8.528 -5.775 -3.273 1.00 0.00 H new ATOM 0 HB3 ALA A 586 8.402 -4.005 -3.136 1.00 0.00 H new ATOM 603 N LEU A 587 9.855 -2.633 -0.955 1.00 0.00 N ATOM 604 CA LEU A 587 10.512 -1.368 -0.683 1.00 0.00 C ATOM 605 C LEU A 587 11.233 -1.404 0.657 1.00 0.00 C ATOM 606 O LEU A 587 12.365 -0.949 0.772 1.00 0.00 O ATOM 607 CB LEU A 587 9.487 -0.236 -0.718 1.00 0.00 C ATOM 608 CG LEU A 587 8.771 -0.085 -2.060 1.00 0.00 C ATOM 609 CD1 LEU A 587 7.617 0.892 -1.950 1.00 0.00 C ATOM 610 CD2 LEU A 587 9.750 0.363 -3.131 1.00 0.00 C ATOM 0 H LEU A 587 8.853 -2.637 -0.762 1.00 0.00 H new ATOM 0 HA LEU A 587 11.261 -1.190 -1.455 1.00 0.00 H new ATOM 0 HB2 LEU A 587 8.744 -0.408 0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 587 9.988 0.702 -0.478 1.00 0.00 H new ATOM 0 HG LEU A 587 8.365 -1.056 -2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 587 7.123 0.982 -2.918 1.00 0.00 H new ATOM 0 HD12 LEU A 587 6.903 0.530 -1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 587 7.994 1.867 -1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 587 9.227 0.467 -4.082 1.00 0.00 H new ATOM 0 HD22 LEU A 587 10.184 1.322 -2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 587 10.543 -0.378 -3.232 1.00 0.00 H new ATOM 622 N GLN A 588 10.599 -1.993 1.654 1.00 0.00 N ATOM 623 CA GLN A 588 11.155 -2.029 3.000 1.00 0.00 C ATOM 624 C GLN A 588 12.394 -2.906 3.064 1.00 0.00 C ATOM 625 O GLN A 588 13.290 -2.657 3.862 1.00 0.00 O ATOM 626 CB GLN A 588 10.107 -2.536 3.985 1.00 0.00 C ATOM 627 CG GLN A 588 9.100 -1.479 4.393 1.00 0.00 C ATOM 628 CD GLN A 588 9.566 -0.641 5.562 1.00 0.00 C ATOM 629 OE1 GLN A 588 10.763 -0.435 5.771 1.00 0.00 O ATOM 630 NE2 GLN A 588 8.614 -0.146 6.335 1.00 0.00 N ATOM 0 H GLN A 588 9.695 -2.456 1.559 1.00 0.00 H new ATOM 0 HA GLN A 588 11.446 -1.014 3.271 1.00 0.00 H new ATOM 0 HB2 GLN A 588 9.578 -3.378 3.539 1.00 0.00 H new ATOM 0 HB3 GLN A 588 10.609 -2.912 4.877 1.00 0.00 H new ATOM 0 HG2 GLN A 588 8.900 -0.827 3.542 1.00 0.00 H new ATOM 0 HG3 GLN A 588 8.158 -1.963 4.652 1.00 0.00 H new ATOM 0 HE21 GLN A 588 7.635 -0.341 6.126 1.00 0.00 H new ATOM 0 HE22 GLN A 588 8.859 0.431 7.140 1.00 0.00 H new ATOM 639 N THR A 589 12.451 -3.922 2.215 1.00 0.00 N ATOM 640 CA THR A 589 13.559 -4.862 2.246 1.00 0.00 C ATOM 641 C THR A 589 14.780 -4.310 1.512 1.00 0.00 C ATOM 642 O THR A 589 15.916 -4.642 1.852 1.00 0.00 O ATOM 643 CB THR A 589 13.145 -6.233 1.662 1.00 0.00 C ATOM 644 OG1 THR A 589 14.133 -7.223 1.963 1.00 0.00 O ATOM 645 CG2 THR A 589 12.949 -6.162 0.154 1.00 0.00 C ATOM 0 H THR A 589 11.748 -4.115 1.502 1.00 0.00 H new ATOM 0 HA THR A 589 13.833 -5.007 3.291 1.00 0.00 H new ATOM 0 HB THR A 589 12.196 -6.509 2.122 1.00 0.00 H new ATOM 0 HG1 THR A 589 13.857 -8.085 1.589 1.00 0.00 H new ATOM 0 HG21 THR A 589 12.659 -7.143 -0.222 1.00 0.00 H new ATOM 0 HG22 THR A 589 12.167 -5.439 -0.078 1.00 0.00 H new ATOM 0 HG23 THR A 589 13.881 -5.853 -0.320 1.00 0.00 H new ATOM 653 N GLN A 590 14.558 -3.450 0.525 1.00 0.00 N ATOM 654 CA GLN A 590 15.669 -2.810 -0.162 1.00 0.00 C ATOM 655 C GLN A 590 16.176 -1.649 0.679 1.00 0.00 C ATOM 656 O GLN A 590 17.353 -1.309 0.644 1.00 0.00 O ATOM 657 CB GLN A 590 15.268 -2.350 -1.567 1.00 0.00 C ATOM 658 CG GLN A 590 14.194 -1.280 -1.599 1.00 0.00 C ATOM 659 CD GLN A 590 13.765 -0.933 -3.008 1.00 0.00 C ATOM 660 OE1 GLN A 590 14.343 -0.055 -3.647 1.00 0.00 O ATOM 661 NE2 GLN A 590 12.747 -1.618 -3.504 1.00 0.00 N ATOM 0 H GLN A 590 13.633 -3.184 0.188 1.00 0.00 H new ATOM 0 HA GLN A 590 16.473 -3.535 -0.288 1.00 0.00 H new ATOM 0 HB2 GLN A 590 16.154 -1.972 -2.078 1.00 0.00 H new ATOM 0 HB3 GLN A 590 14.918 -3.214 -2.132 1.00 0.00 H new ATOM 0 HG2 GLN A 590 13.328 -1.622 -1.033 1.00 0.00 H new ATOM 0 HG3 GLN A 590 14.565 -0.382 -1.104 1.00 0.00 H new ATOM 0 HE21 GLN A 590 12.295 -2.338 -2.941 1.00 0.00 H new ATOM 0 HE22 GLN A 590 12.415 -1.425 -4.449 1.00 0.00 H new ATOM 670 N VAL A 591 15.272 -1.067 1.458 1.00 0.00 N ATOM 671 CA VAL A 591 15.629 -0.045 2.433 1.00 0.00 C ATOM 672 C VAL A 591 16.282 -0.699 3.653 1.00 0.00 C ATOM 673 O VAL A 591 17.045 -0.070 4.384 1.00 0.00 O ATOM 674 CB VAL A 591 14.377 0.765 2.860 1.00 0.00 C ATOM 675 CG1 VAL A 591 14.689 1.756 3.970 1.00 0.00 C ATOM 676 CG2 VAL A 591 13.794 1.501 1.669 1.00 0.00 C ATOM 0 H VAL A 591 14.277 -1.289 1.432 1.00 0.00 H new ATOM 0 HA VAL A 591 16.339 0.644 1.975 1.00 0.00 H new ATOM 0 HB VAL A 591 13.648 0.051 3.244 1.00 0.00 H new ATOM 0 HG11 VAL A 591 13.783 2.301 4.237 1.00 0.00 H new ATOM 0 HG12 VAL A 591 15.060 1.219 4.843 1.00 0.00 H new ATOM 0 HG13 VAL A 591 15.448 2.460 3.627 1.00 0.00 H new ATOM 0 HG21 VAL A 591 12.916 2.065 1.984 1.00 0.00 H new ATOM 0 HG22 VAL A 591 14.539 2.186 1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 591 13.507 0.782 0.902 1.00 0.00 H new ATOM 686 N ALA A 592 15.989 -1.984 3.841 1.00 0.00 N ATOM 687 CA ALA A 592 16.546 -2.755 4.944 1.00 0.00 C ATOM 688 C ALA A 592 18.028 -3.032 4.718 1.00 0.00 C ATOM 689 O ALA A 592 18.774 -3.293 5.662 1.00 0.00 O ATOM 690 CB ALA A 592 15.791 -4.065 5.113 1.00 0.00 C ATOM 0 H ALA A 592 15.363 -2.515 3.236 1.00 0.00 H new ATOM 0 HA ALA A 592 16.439 -2.166 5.855 1.00 0.00 H new ATOM 0 HB1 ALA A 592 16.221 -4.628 5.941 1.00 0.00 H new ATOM 0 HB2 ALA A 592 14.742 -3.856 5.322 1.00 0.00 H new ATOM 0 HB3 ALA A 592 15.869 -4.651 4.197 1.00 0.00 H new ATOM 696 N ASP A 593 18.446 -2.986 3.461 1.00 0.00 N ATOM 697 CA ASP A 593 19.840 -3.236 3.107 1.00 0.00 C ATOM 698 C ASP A 593 20.706 -2.038 3.486 1.00 0.00 C ATOM 699 O ASP A 593 20.332 -0.890 3.252 1.00 0.00 O ATOM 700 CB ASP A 593 19.961 -3.522 1.608 1.00 0.00 C ATOM 701 CG ASP A 593 21.323 -4.067 1.226 1.00 0.00 C ATOM 702 OD1 ASP A 593 22.280 -3.275 1.104 1.00 0.00 O ATOM 703 OD2 ASP A 593 21.443 -5.293 1.038 1.00 0.00 O ATOM 0 H ASP A 593 17.841 -2.778 2.667 1.00 0.00 H new ATOM 0 HA ASP A 593 20.189 -4.108 3.660 1.00 0.00 H new ATOM 0 HB2 ASP A 593 19.192 -4.237 1.315 1.00 0.00 H new ATOM 0 HB3 ASP A 593 19.772 -2.605 1.051 1.00 0.00 H new ATOM 708 N ALA A 594 21.867 -2.313 4.070 1.00 0.00 N ATOM 709 CA ALA A 594 22.749 -1.262 4.571 1.00 0.00 C ATOM 710 C ALA A 594 23.371 -0.460 3.436 1.00 0.00 C ATOM 711 O ALA A 594 23.819 0.669 3.635 1.00 0.00 O ATOM 712 CB ALA A 594 23.836 -1.858 5.450 1.00 0.00 C ATOM 0 H ALA A 594 22.222 -3.259 4.209 1.00 0.00 H new ATOM 0 HA ALA A 594 22.142 -0.579 5.166 1.00 0.00 H new ATOM 0 HB1 ALA A 594 24.485 -1.062 5.816 1.00 0.00 H new ATOM 0 HB2 ALA A 594 23.379 -2.371 6.296 1.00 0.00 H new ATOM 0 HB3 ALA A 594 24.425 -2.568 4.870 1.00 0.00 H new ATOM 718 N SER A 595 23.395 -1.033 2.242 1.00 0.00 N ATOM 719 CA SER A 595 23.944 -0.342 1.092 1.00 0.00 C ATOM 720 C SER A 595 22.898 0.564 0.458 1.00 0.00 C ATOM 721 O SER A 595 23.204 1.333 -0.454 1.00 0.00 O ATOM 722 CB SER A 595 24.488 -1.335 0.070 1.00 0.00 C ATOM 723 OG SER A 595 25.591 -2.050 0.601 1.00 0.00 O ATOM 0 H SER A 595 23.042 -1.970 2.048 1.00 0.00 H new ATOM 0 HA SER A 595 24.772 0.279 1.434 1.00 0.00 H new ATOM 0 HB2 SER A 595 23.702 -2.033 -0.220 1.00 0.00 H new ATOM 0 HB3 SER A 595 24.793 -0.805 -0.832 1.00 0.00 H new ATOM 0 HG SER A 595 25.924 -2.683 -0.069 1.00 0.00 H new ATOM 729 N PHE A 596 21.665 0.477 0.944 1.00 0.00 N ATOM 730 CA PHE A 596 20.615 1.376 0.490 1.00 0.00 C ATOM 731 C PHE A 596 20.971 2.813 0.838 1.00 0.00 C ATOM 732 O PHE A 596 21.065 3.662 -0.039 1.00 0.00 O ATOM 733 CB PHE A 596 19.262 1.016 1.107 1.00 0.00 C ATOM 734 CG PHE A 596 18.185 2.009 0.773 1.00 0.00 C ATOM 735 CD1 PHE A 596 17.656 2.073 -0.504 1.00 0.00 C ATOM 736 CD2 PHE A 596 17.713 2.891 1.733 1.00 0.00 C ATOM 737 CE1 PHE A 596 16.677 2.992 -0.816 1.00 0.00 C ATOM 738 CE2 PHE A 596 16.732 3.809 1.425 1.00 0.00 C ATOM 739 CZ PHE A 596 16.215 3.862 0.149 1.00 0.00 C ATOM 0 H PHE A 596 21.371 -0.202 1.647 1.00 0.00 H new ATOM 0 HA PHE A 596 20.533 1.271 -0.592 1.00 0.00 H new ATOM 0 HB2 PHE A 596 18.960 0.029 0.758 1.00 0.00 H new ATOM 0 HB3 PHE A 596 19.367 0.952 2.190 1.00 0.00 H new ATOM 0 HD1 PHE A 596 18.014 1.395 -1.265 1.00 0.00 H new ATOM 0 HD2 PHE A 596 18.119 2.858 2.733 1.00 0.00 H new ATOM 0 HE1 PHE A 596 16.272 3.031 -1.816 1.00 0.00 H new ATOM 0 HE2 PHE A 596 16.369 4.486 2.184 1.00 0.00 H new ATOM 0 HZ PHE A 596 15.449 4.584 -0.095 1.00 0.00 H new ATOM 749 N PHE A 597 21.202 3.070 2.121 1.00 0.00 N ATOM 750 CA PHE A 597 21.531 4.416 2.587 1.00 0.00 C ATOM 751 C PHE A 597 22.968 4.787 2.236 1.00 0.00 C ATOM 752 O PHE A 597 23.431 5.888 2.538 1.00 0.00 O ATOM 753 CB PHE A 597 21.309 4.534 4.095 1.00 0.00 C ATOM 754 CG PHE A 597 19.864 4.447 4.493 1.00 0.00 C ATOM 755 CD1 PHE A 597 19.019 5.529 4.305 1.00 0.00 C ATOM 756 CD2 PHE A 597 19.350 3.288 5.048 1.00 0.00 C ATOM 757 CE1 PHE A 597 17.688 5.453 4.664 1.00 0.00 C ATOM 758 CE2 PHE A 597 18.019 3.208 5.410 1.00 0.00 C ATOM 759 CZ PHE A 597 17.188 4.293 5.217 1.00 0.00 C ATOM 0 H PHE A 597 21.168 2.366 2.858 1.00 0.00 H new ATOM 0 HA PHE A 597 20.866 5.114 2.078 1.00 0.00 H new ATOM 0 HB2 PHE A 597 21.865 3.744 4.600 1.00 0.00 H new ATOM 0 HB3 PHE A 597 21.717 5.483 4.442 1.00 0.00 H new ATOM 0 HD1 PHE A 597 19.405 6.441 3.873 1.00 0.00 H new ATOM 0 HD2 PHE A 597 19.997 2.436 5.200 1.00 0.00 H new ATOM 0 HE1 PHE A 597 17.038 6.302 4.512 1.00 0.00 H new ATOM 0 HE2 PHE A 597 17.630 2.298 5.843 1.00 0.00 H new ATOM 0 HZ PHE A 597 16.147 4.234 5.499 1.00 0.00 H new ATOM 769 N SER A 598 23.664 3.865 1.588 1.00 0.00 N ATOM 770 CA SER A 598 24.998 4.123 1.075 1.00 0.00 C ATOM 771 C SER A 598 24.874 4.848 -0.265 1.00 0.00 C ATOM 772 O SER A 598 25.842 5.394 -0.796 1.00 0.00 O ATOM 773 CB SER A 598 25.750 2.796 0.915 1.00 0.00 C ATOM 774 OG SER A 598 27.117 2.984 0.599 1.00 0.00 O ATOM 0 H SER A 598 23.321 2.922 1.404 1.00 0.00 H new ATOM 0 HA SER A 598 25.560 4.750 1.767 1.00 0.00 H new ATOM 0 HB2 SER A 598 25.669 2.222 1.838 1.00 0.00 H new ATOM 0 HB3 SER A 598 25.277 2.206 0.130 1.00 0.00 H new ATOM 0 HG SER A 598 27.555 2.112 0.508 1.00 0.00 H new ATOM 780 N GLN A 599 23.653 4.849 -0.786 1.00 0.00 N ATOM 781 CA GLN A 599 23.330 5.521 -2.033 1.00 0.00 C ATOM 782 C GLN A 599 23.124 7.010 -1.808 1.00 0.00 C ATOM 783 O GLN A 599 22.814 7.442 -0.695 1.00 0.00 O ATOM 784 CB GLN A 599 22.066 4.909 -2.636 1.00 0.00 C ATOM 785 CG GLN A 599 22.309 3.550 -3.256 1.00 0.00 C ATOM 786 CD GLN A 599 21.038 2.851 -3.695 1.00 0.00 C ATOM 787 OE1 GLN A 599 21.042 2.087 -4.661 1.00 0.00 O ATOM 788 NE2 GLN A 599 19.948 3.092 -2.987 1.00 0.00 N ATOM 0 H GLN A 599 22.858 4.381 -0.352 1.00 0.00 H new ATOM 0 HA GLN A 599 24.164 5.390 -2.722 1.00 0.00 H new ATOM 0 HB2 GLN A 599 21.306 4.818 -1.860 1.00 0.00 H new ATOM 0 HB3 GLN A 599 21.668 5.583 -3.394 1.00 0.00 H new ATOM 0 HG2 GLN A 599 22.967 3.665 -4.117 1.00 0.00 H new ATOM 0 HG3 GLN A 599 22.832 2.919 -2.537 1.00 0.00 H new ATOM 0 HE21 GLN A 599 19.986 3.732 -2.194 1.00 0.00 H new ATOM 0 HE22 GLN A 599 19.069 2.638 -3.234 1.00 0.00 H new ATOM 797 N PRO A 600 23.330 7.807 -2.863 1.00 0.00 N ATOM 798 CA PRO A 600 23.057 9.246 -2.846 1.00 0.00 C ATOM 799 C PRO A 600 21.633 9.560 -2.398 1.00 0.00 C ATOM 800 O PRO A 600 20.726 8.754 -2.630 1.00 0.00 O ATOM 801 CB PRO A 600 23.238 9.667 -4.303 1.00 0.00 C ATOM 802 CG PRO A 600 24.139 8.642 -4.896 1.00 0.00 C ATOM 803 CD PRO A 600 23.876 7.360 -4.156 1.00 0.00 C ATOM 0 HA PRO A 600 23.711 9.767 -2.147 1.00 0.00 H new ATOM 0 HB2 PRO A 600 22.282 9.700 -4.825 1.00 0.00 H new ATOM 0 HB3 PRO A 600 23.674 10.663 -4.374 1.00 0.00 H new ATOM 0 HG2 PRO A 600 23.942 8.522 -5.961 1.00 0.00 H new ATOM 0 HG3 PRO A 600 25.183 8.940 -4.797 1.00 0.00 H new ATOM 0 HD2 PRO A 600 23.169 6.727 -4.692 1.00 0.00 H new ATOM 0 HD3 PRO A 600 24.789 6.779 -4.025 1.00 0.00 H new ATOM 811 N HIS A 601 21.439 10.710 -1.764 1.00 0.00 N ATOM 812 CA HIS A 601 20.119 11.101 -1.264 1.00 0.00 C ATOM 813 C HIS A 601 19.053 10.929 -2.334 1.00 0.00 C ATOM 814 O HIS A 601 18.044 10.276 -2.101 1.00 0.00 O ATOM 815 CB HIS A 601 20.141 12.557 -0.783 1.00 0.00 C ATOM 816 CG HIS A 601 18.881 13.016 -0.116 1.00 0.00 C ATOM 817 ND1 HIS A 601 18.575 12.717 1.192 1.00 0.00 N ATOM 818 CD2 HIS A 601 17.865 13.786 -0.569 1.00 0.00 C ATOM 819 CE1 HIS A 601 17.426 13.278 1.514 1.00 0.00 C ATOM 820 NE2 HIS A 601 16.975 13.934 0.463 1.00 0.00 N ATOM 0 H HIS A 601 22.176 11.391 -1.582 1.00 0.00 H new ATOM 0 HA HIS A 601 19.873 10.449 -0.426 1.00 0.00 H new ATOM 0 HB2 HIS A 601 20.971 12.683 -0.087 1.00 0.00 H new ATOM 0 HB3 HIS A 601 20.340 13.204 -1.637 1.00 0.00 H new ATOM 0 HD2 HIS A 601 17.772 14.206 -1.560 1.00 0.00 H new ATOM 0 HE1 HIS A 601 16.938 13.211 2.475 1.00 0.00 H new ATOM 0 HE2 HIS A 601 16.105 14.465 0.424 1.00 0.00 H new ATOM 829 N GLU A 602 19.315 11.474 -3.519 1.00 0.00 N ATOM 830 CA GLU A 602 18.338 11.481 -4.608 1.00 0.00 C ATOM 831 C GLU A 602 17.873 10.070 -4.975 1.00 0.00 C ATOM 832 O GLU A 602 16.812 9.895 -5.573 1.00 0.00 O ATOM 833 CB GLU A 602 18.925 12.175 -5.835 1.00 0.00 C ATOM 834 CG GLU A 602 19.360 13.603 -5.560 1.00 0.00 C ATOM 835 CD GLU A 602 19.870 14.305 -6.799 1.00 0.00 C ATOM 836 OE1 GLU A 602 21.057 14.123 -7.144 1.00 0.00 O ATOM 837 OE2 GLU A 602 19.093 15.049 -7.432 1.00 0.00 O ATOM 0 H GLU A 602 20.202 11.920 -3.752 1.00 0.00 H new ATOM 0 HA GLU A 602 17.465 12.032 -4.259 1.00 0.00 H new ATOM 0 HB2 GLU A 602 19.781 11.603 -6.194 1.00 0.00 H new ATOM 0 HB3 GLU A 602 18.184 12.175 -6.634 1.00 0.00 H new ATOM 0 HG2 GLU A 602 18.519 14.162 -5.150 1.00 0.00 H new ATOM 0 HG3 GLU A 602 20.142 13.601 -4.800 1.00 0.00 H new ATOM 844 N GLN A 603 18.663 9.065 -4.622 1.00 0.00 N ATOM 845 CA GLN A 603 18.251 7.682 -4.813 1.00 0.00 C ATOM 846 C GLN A 603 17.397 7.248 -3.642 1.00 0.00 C ATOM 847 O GLN A 603 16.260 6.803 -3.799 1.00 0.00 O ATOM 848 CB GLN A 603 19.462 6.751 -4.887 1.00 0.00 C ATOM 849 CG GLN A 603 20.575 7.249 -5.784 1.00 0.00 C ATOM 850 CD GLN A 603 20.156 7.356 -7.234 1.00 0.00 C ATOM 851 OE1 GLN A 603 19.688 8.403 -7.681 1.00 0.00 O ATOM 852 NE2 GLN A 603 20.314 6.277 -7.980 1.00 0.00 N ATOM 0 H GLN A 603 19.587 9.180 -4.205 1.00 0.00 H new ATOM 0 HA GLN A 603 17.694 7.623 -5.748 1.00 0.00 H new ATOM 0 HB2 GLN A 603 19.858 6.608 -3.882 1.00 0.00 H new ATOM 0 HB3 GLN A 603 19.134 5.774 -5.243 1.00 0.00 H new ATOM 0 HG2 GLN A 603 20.908 8.226 -5.434 1.00 0.00 H new ATOM 0 HG3 GLN A 603 21.428 6.575 -5.706 1.00 0.00 H new ATOM 0 HE21 GLN A 603 20.706 5.428 -7.572 1.00 0.00 H new ATOM 0 HE22 GLN A 603 20.044 6.293 -8.964 1.00 0.00 H new ATOM 861 N THR A 604 17.962 7.420 -2.465 1.00 0.00 N ATOM 862 CA THR A 604 17.388 6.901 -1.251 1.00 0.00 C ATOM 863 C THR A 604 16.054 7.554 -0.915 1.00 0.00 C ATOM 864 O THR A 604 15.066 6.859 -0.697 1.00 0.00 O ATOM 865 CB THR A 604 18.376 7.071 -0.093 1.00 0.00 C ATOM 866 OG1 THR A 604 18.756 8.446 0.039 1.00 0.00 O ATOM 867 CG2 THR A 604 19.613 6.224 -0.338 1.00 0.00 C ATOM 0 H THR A 604 18.836 7.927 -2.328 1.00 0.00 H new ATOM 0 HA THR A 604 17.190 5.841 -1.408 1.00 0.00 H new ATOM 0 HB THR A 604 17.891 6.746 0.828 1.00 0.00 H new ATOM 0 HG1 THR A 604 18.527 8.929 -0.783 1.00 0.00 H new ATOM 0 HG21 THR A 604 20.310 6.351 0.490 1.00 0.00 H new ATOM 0 HG22 THR A 604 19.327 5.175 -0.414 1.00 0.00 H new ATOM 0 HG23 THR A 604 20.091 6.538 -1.266 1.00 0.00 H new ATOM 875 N GLN A 605 16.016 8.882 -0.902 1.00 0.00 N ATOM 876 CA GLN A 605 14.791 9.603 -0.568 1.00 0.00 C ATOM 877 C GLN A 605 13.687 9.289 -1.564 1.00 0.00 C ATOM 878 O GLN A 605 12.509 9.337 -1.222 1.00 0.00 O ATOM 879 CB GLN A 605 15.036 11.116 -0.492 1.00 0.00 C ATOM 880 CG GLN A 605 15.657 11.723 -1.739 1.00 0.00 C ATOM 881 CD GLN A 605 14.649 12.108 -2.807 1.00 0.00 C ATOM 882 OE1 GLN A 605 14.942 12.044 -3.998 1.00 0.00 O ATOM 883 NE2 GLN A 605 13.471 12.535 -2.390 1.00 0.00 N ATOM 0 H GLN A 605 16.814 9.479 -1.117 1.00 0.00 H new ATOM 0 HA GLN A 605 14.470 9.266 0.417 1.00 0.00 H new ATOM 0 HB2 GLN A 605 14.087 11.614 -0.296 1.00 0.00 H new ATOM 0 HB3 GLN A 605 15.686 11.323 0.358 1.00 0.00 H new ATOM 0 HG2 GLN A 605 16.226 12.608 -1.455 1.00 0.00 H new ATOM 0 HG3 GLN A 605 16.366 11.011 -2.163 1.00 0.00 H new ATOM 0 HE21 GLN A 605 13.267 12.573 -1.391 1.00 0.00 H new ATOM 0 HE22 GLN A 605 12.766 12.827 -3.066 1.00 0.00 H new ATOM 892 N LYS A 606 14.078 8.951 -2.788 1.00 0.00 N ATOM 893 CA LYS A 606 13.128 8.598 -3.822 1.00 0.00 C ATOM 894 C LYS A 606 12.446 7.287 -3.456 1.00 0.00 C ATOM 895 O LYS A 606 11.239 7.118 -3.633 1.00 0.00 O ATOM 896 CB LYS A 606 13.868 8.489 -5.159 1.00 0.00 C ATOM 897 CG LYS A 606 12.986 8.213 -6.366 1.00 0.00 C ATOM 898 CD LYS A 606 12.757 6.723 -6.572 1.00 0.00 C ATOM 899 CE LYS A 606 12.196 6.440 -7.952 1.00 0.00 C ATOM 900 NZ LYS A 606 12.017 4.987 -8.202 1.00 0.00 N ATOM 0 H LYS A 606 15.054 8.916 -3.084 1.00 0.00 H new ATOM 0 HA LYS A 606 12.358 9.365 -3.913 1.00 0.00 H new ATOM 0 HB2 LYS A 606 14.412 9.417 -5.332 1.00 0.00 H new ATOM 0 HB3 LYS A 606 14.610 7.694 -5.082 1.00 0.00 H new ATOM 0 HG2 LYS A 606 12.026 8.713 -6.236 1.00 0.00 H new ATOM 0 HG3 LYS A 606 13.448 8.636 -7.258 1.00 0.00 H new ATOM 0 HD2 LYS A 606 13.697 6.187 -6.442 1.00 0.00 H new ATOM 0 HD3 LYS A 606 12.069 6.350 -5.813 1.00 0.00 H new ATOM 0 HE2 LYS A 606 11.237 6.946 -8.062 1.00 0.00 H new ATOM 0 HE3 LYS A 606 12.865 6.856 -8.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 11.632 4.844 -9.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 12.935 4.506 -8.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 11.358 4.593 -7.500 1.00 0.00 H new ATOM 914 N VAL A 607 13.232 6.376 -2.911 1.00 0.00 N ATOM 915 CA VAL A 607 12.734 5.077 -2.496 1.00 0.00 C ATOM 916 C VAL A 607 12.006 5.186 -1.160 1.00 0.00 C ATOM 917 O VAL A 607 10.950 4.590 -0.972 1.00 0.00 O ATOM 918 CB VAL A 607 13.880 4.057 -2.378 1.00 0.00 C ATOM 919 CG1 VAL A 607 13.347 2.681 -2.005 1.00 0.00 C ATOM 920 CG2 VAL A 607 14.666 3.995 -3.677 1.00 0.00 C ATOM 0 H VAL A 607 14.229 6.515 -2.744 1.00 0.00 H new ATOM 0 HA VAL A 607 12.036 4.730 -3.258 1.00 0.00 H new ATOM 0 HB VAL A 607 14.550 4.384 -1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 607 14.177 1.978 -1.928 1.00 0.00 H new ATOM 0 HG12 VAL A 607 12.830 2.739 -1.047 1.00 0.00 H new ATOM 0 HG13 VAL A 607 12.652 2.340 -2.772 1.00 0.00 H new ATOM 0 HG21 VAL A 607 15.474 3.270 -3.579 1.00 0.00 H new ATOM 0 HG22 VAL A 607 14.004 3.694 -4.489 1.00 0.00 H new ATOM 0 HG23 VAL A 607 15.085 4.977 -3.896 1.00 0.00 H new ATOM 930 N LEU A 608 12.577 5.961 -0.244 1.00 0.00 N ATOM 931 CA LEU A 608 11.962 6.211 1.058 1.00 0.00 C ATOM 932 C LEU A 608 10.581 6.828 0.881 1.00 0.00 C ATOM 933 O LEU A 608 9.635 6.493 1.598 1.00 0.00 O ATOM 934 CB LEU A 608 12.848 7.154 1.878 1.00 0.00 C ATOM 935 CG LEU A 608 14.262 6.646 2.145 1.00 0.00 C ATOM 936 CD1 LEU A 608 15.122 7.747 2.747 1.00 0.00 C ATOM 937 CD2 LEU A 608 14.228 5.434 3.060 1.00 0.00 C ATOM 0 H LEU A 608 13.472 6.431 -0.380 1.00 0.00 H new ATOM 0 HA LEU A 608 11.859 5.262 1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 608 12.914 8.109 1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 608 12.361 7.345 2.834 1.00 0.00 H new ATOM 0 HG LEU A 608 14.705 6.347 1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 608 16.126 7.365 2.930 1.00 0.00 H new ATOM 0 HD12 LEU A 608 15.174 8.588 2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 608 14.683 8.078 3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 608 15.245 5.085 3.240 1.00 0.00 H new ATOM 0 HD22 LEU A 608 13.765 5.707 4.008 1.00 0.00 H new ATOM 0 HD23 LEU A 608 13.649 4.639 2.589 1.00 0.00 H new ATOM 949 N ALA A 609 10.482 7.723 -0.092 1.00 0.00 N ATOM 950 CA ALA A 609 9.232 8.385 -0.414 1.00 0.00 C ATOM 951 C ALA A 609 8.200 7.382 -0.918 1.00 0.00 C ATOM 952 O ALA A 609 7.055 7.377 -0.469 1.00 0.00 O ATOM 953 CB ALA A 609 9.483 9.471 -1.449 1.00 0.00 C ATOM 0 H ALA A 609 11.267 8.008 -0.678 1.00 0.00 H new ATOM 0 HA ALA A 609 8.831 8.843 0.490 1.00 0.00 H new ATOM 0 HB1 ALA A 609 8.543 9.968 -1.690 1.00 0.00 H new ATOM 0 HB2 ALA A 609 10.187 10.200 -1.048 1.00 0.00 H new ATOM 0 HB3 ALA A 609 9.899 9.024 -2.352 1.00 0.00 H new ATOM 959 N ASP A 610 8.626 6.515 -1.830 1.00 0.00 N ATOM 960 CA ASP A 610 7.738 5.514 -2.415 1.00 0.00 C ATOM 961 C ASP A 610 7.362 4.461 -1.376 1.00 0.00 C ATOM 962 O ASP A 610 6.239 3.961 -1.361 1.00 0.00 O ATOM 963 CB ASP A 610 8.407 4.853 -3.623 1.00 0.00 C ATOM 964 CG ASP A 610 7.422 4.126 -4.521 1.00 0.00 C ATOM 965 OD1 ASP A 610 6.737 4.800 -5.323 1.00 0.00 O ATOM 966 OD2 ASP A 610 7.344 2.885 -4.456 1.00 0.00 O ATOM 0 H ASP A 610 9.583 6.484 -2.182 1.00 0.00 H new ATOM 0 HA ASP A 610 6.827 6.011 -2.748 1.00 0.00 H new ATOM 0 HB2 ASP A 610 8.928 5.614 -4.205 1.00 0.00 H new ATOM 0 HB3 ASP A 610 9.161 4.148 -3.273 1.00 0.00 H new ATOM 971 N MET A 611 8.312 4.148 -0.500 1.00 0.00 N ATOM 972 CA MET A 611 8.083 3.207 0.591 1.00 0.00 C ATOM 973 C MET A 611 6.967 3.692 1.506 1.00 0.00 C ATOM 974 O MET A 611 6.008 2.964 1.769 1.00 0.00 O ATOM 975 CB MET A 611 9.368 3.004 1.400 1.00 0.00 C ATOM 976 CG MET A 611 9.160 2.199 2.669 1.00 0.00 C ATOM 977 SD MET A 611 10.681 1.976 3.610 1.00 0.00 S ATOM 978 CE MET A 611 11.060 3.670 4.049 1.00 0.00 C ATOM 0 H MET A 611 9.255 4.536 -0.526 1.00 0.00 H new ATOM 0 HA MET A 611 7.782 2.255 0.154 1.00 0.00 H new ATOM 0 HB2 MET A 611 10.106 2.500 0.776 1.00 0.00 H new ATOM 0 HB3 MET A 611 9.782 3.978 1.660 1.00 0.00 H new ATOM 0 HG2 MET A 611 8.421 2.700 3.295 1.00 0.00 H new ATOM 0 HG3 MET A 611 8.751 1.222 2.411 1.00 0.00 H new ATOM 0 HE1 MET A 611 11.378 3.713 5.091 1.00 0.00 H new ATOM 0 HE2 MET A 611 11.861 4.041 3.409 1.00 0.00 H new ATOM 0 HE3 MET A 611 10.172 4.288 3.915 1.00 0.00 H new ATOM 988 N ALA A 612 7.086 4.926 1.975 1.00 0.00 N ATOM 989 CA ALA A 612 6.091 5.491 2.873 1.00 0.00 C ATOM 990 C ALA A 612 4.754 5.660 2.156 1.00 0.00 C ATOM 991 O ALA A 612 3.690 5.511 2.758 1.00 0.00 O ATOM 992 CB ALA A 612 6.574 6.820 3.434 1.00 0.00 C ATOM 0 H ALA A 612 7.859 5.552 1.749 1.00 0.00 H new ATOM 0 HA ALA A 612 5.945 4.801 3.704 1.00 0.00 H new ATOM 0 HB1 ALA A 612 5.817 7.229 4.104 1.00 0.00 H new ATOM 0 HB2 ALA A 612 7.502 6.667 3.985 1.00 0.00 H new ATOM 0 HB3 ALA A 612 6.749 7.518 2.616 1.00 0.00 H new ATOM 998 N ALA A 613 4.818 5.963 0.863 1.00 0.00 N ATOM 999 CA ALA A 613 3.619 6.089 0.041 1.00 0.00 C ATOM 1000 C ALA A 613 2.915 4.742 -0.104 1.00 0.00 C ATOM 1001 O ALA A 613 1.693 4.680 -0.236 1.00 0.00 O ATOM 1002 CB ALA A 613 3.965 6.654 -1.330 1.00 0.00 C ATOM 0 H ALA A 613 5.690 6.126 0.361 1.00 0.00 H new ATOM 0 HA ALA A 613 2.940 6.780 0.540 1.00 0.00 H new ATOM 0 HB1 ALA A 613 3.058 6.740 -1.928 1.00 0.00 H new ATOM 0 HB2 ALA A 613 4.418 7.639 -1.214 1.00 0.00 H new ATOM 0 HB3 ALA A 613 4.668 5.988 -1.831 1.00 0.00 H new ATOM 1008 N ALA A 614 3.696 3.669 -0.073 1.00 0.00 N ATOM 1009 CA ALA A 614 3.162 2.322 -0.198 1.00 0.00 C ATOM 1010 C ALA A 614 2.366 1.930 1.036 1.00 0.00 C ATOM 1011 O ALA A 614 1.208 1.522 0.928 1.00 0.00 O ATOM 1012 CB ALA A 614 4.286 1.327 -0.432 1.00 0.00 C ATOM 0 H ALA A 614 4.709 3.709 0.039 1.00 0.00 H new ATOM 0 HA ALA A 614 2.489 2.307 -1.056 1.00 0.00 H new ATOM 0 HB1 ALA A 614 3.870 0.323 -0.523 1.00 0.00 H new ATOM 0 HB2 ALA A 614 4.816 1.585 -1.349 1.00 0.00 H new ATOM 0 HB3 ALA A 614 4.980 1.357 0.408 1.00 0.00 H new ATOM 1018 N GLU A 615 2.988 2.057 2.204 1.00 0.00 N ATOM 1019 CA GLU A 615 2.333 1.697 3.453 1.00 0.00 C ATOM 1020 C GLU A 615 1.087 2.541 3.676 1.00 0.00 C ATOM 1021 O GLU A 615 0.027 1.996 3.962 1.00 0.00 O ATOM 1022 CB GLU A 615 3.297 1.811 4.641 1.00 0.00 C ATOM 1023 CG GLU A 615 4.020 3.142 4.734 1.00 0.00 C ATOM 1024 CD GLU A 615 4.939 3.219 5.934 1.00 0.00 C ATOM 1025 OE1 GLU A 615 4.456 3.590 7.024 1.00 0.00 O ATOM 1026 OE2 GLU A 615 6.140 2.908 5.791 1.00 0.00 O ATOM 0 H GLU A 615 3.941 2.405 2.310 1.00 0.00 H new ATOM 0 HA GLU A 615 2.024 0.654 3.378 1.00 0.00 H new ATOM 0 HB2 GLU A 615 2.739 1.649 5.563 1.00 0.00 H new ATOM 0 HB3 GLU A 615 4.037 1.013 4.571 1.00 0.00 H new ATOM 0 HG2 GLU A 615 4.600 3.301 3.825 1.00 0.00 H new ATOM 0 HG3 GLU A 615 3.287 3.947 4.789 1.00 0.00 H new ATOM 1033 N GLN A 616 1.193 3.858 3.501 1.00 0.00 N ATOM 1034 CA GLN A 616 0.043 4.732 3.713 1.00 0.00 C ATOM 1035 C GLN A 616 -1.101 4.353 2.776 1.00 0.00 C ATOM 1036 O GLN A 616 -2.265 4.368 3.177 1.00 0.00 O ATOM 1037 CB GLN A 616 0.407 6.210 3.530 1.00 0.00 C ATOM 1038 CG GLN A 616 0.816 6.583 2.117 1.00 0.00 C ATOM 1039 CD GLN A 616 0.821 8.080 1.888 1.00 0.00 C ATOM 1040 OE1 GLN A 616 1.045 8.859 2.808 1.00 0.00 O ATOM 1041 NE2 GLN A 616 0.574 8.490 0.656 1.00 0.00 N ATOM 0 H GLN A 616 2.049 4.336 3.218 1.00 0.00 H new ATOM 0 HA GLN A 616 -0.281 4.594 4.745 1.00 0.00 H new ATOM 0 HB2 GLN A 616 -0.447 6.821 3.822 1.00 0.00 H new ATOM 0 HB3 GLN A 616 1.223 6.458 4.209 1.00 0.00 H new ATOM 0 HG2 GLN A 616 1.810 6.185 1.913 1.00 0.00 H new ATOM 0 HG3 GLN A 616 0.133 6.113 1.409 1.00 0.00 H new ATOM 0 HE21 GLN A 616 0.392 7.809 -0.081 1.00 0.00 H new ATOM 0 HE22 GLN A 616 0.565 9.487 0.443 1.00 0.00 H new ATOM 1050 N GLU A 617 -0.765 3.990 1.540 1.00 0.00 N ATOM 1051 CA GLU A 617 -1.769 3.583 0.567 1.00 0.00 C ATOM 1052 C GLU A 617 -2.405 2.272 1.005 1.00 0.00 C ATOM 1053 O GLU A 617 -3.621 2.104 0.940 1.00 0.00 O ATOM 1054 CB GLU A 617 -1.138 3.423 -0.815 1.00 0.00 C ATOM 1055 CG GLU A 617 -2.144 3.162 -1.922 1.00 0.00 C ATOM 1056 CD GLU A 617 -3.021 4.361 -2.210 1.00 0.00 C ATOM 1057 OE1 GLU A 617 -2.538 5.309 -2.864 1.00 0.00 O ATOM 1058 OE2 GLU A 617 -4.192 4.362 -1.790 1.00 0.00 O ATOM 0 H GLU A 617 0.193 3.970 1.192 1.00 0.00 H new ATOM 0 HA GLU A 617 -2.537 4.354 0.509 1.00 0.00 H new ATOM 0 HB2 GLU A 617 -0.575 4.325 -1.054 1.00 0.00 H new ATOM 0 HB3 GLU A 617 -0.424 2.600 -0.785 1.00 0.00 H new ATOM 0 HG2 GLU A 617 -1.613 2.879 -2.831 1.00 0.00 H new ATOM 0 HG3 GLU A 617 -2.772 2.316 -1.644 1.00 0.00 H new ATOM 1065 N LEU A 618 -1.566 1.361 1.473 1.00 0.00 N ATOM 1066 CA LEU A 618 -2.019 0.062 1.944 1.00 0.00 C ATOM 1067 C LEU A 618 -3.030 0.213 3.074 1.00 0.00 C ATOM 1068 O LEU A 618 -4.094 -0.401 3.051 1.00 0.00 O ATOM 1069 CB LEU A 618 -0.822 -0.771 2.412 1.00 0.00 C ATOM 1070 CG LEU A 618 -1.161 -2.152 2.968 1.00 0.00 C ATOM 1071 CD1 LEU A 618 -1.887 -2.982 1.928 1.00 0.00 C ATOM 1072 CD2 LEU A 618 0.096 -2.871 3.420 1.00 0.00 C ATOM 0 H LEU A 618 -0.558 1.500 1.537 1.00 0.00 H new ATOM 0 HA LEU A 618 -2.510 -0.451 1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 618 -0.137 -0.894 1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 618 -0.289 -0.210 3.180 1.00 0.00 H new ATOM 0 HG LEU A 618 -1.815 -2.018 3.829 1.00 0.00 H new ATOM 0 HD11 LEU A 618 -2.120 -3.963 2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 618 -2.811 -2.480 1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 618 -1.252 -3.101 1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 618 -0.168 -3.853 3.813 1.00 0.00 H new ATOM 0 HD22 LEU A 618 0.772 -2.989 2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 618 0.588 -2.289 4.199 1.00 0.00 H new ATOM 1084 N GLU A 619 -2.700 1.050 4.050 1.00 0.00 N ATOM 1085 CA GLU A 619 -3.553 1.220 5.218 1.00 0.00 C ATOM 1086 C GLU A 619 -4.888 1.840 4.830 1.00 0.00 C ATOM 1087 O GLU A 619 -5.943 1.351 5.229 1.00 0.00 O ATOM 1088 CB GLU A 619 -2.878 2.102 6.266 1.00 0.00 C ATOM 1089 CG GLU A 619 -1.397 1.832 6.437 1.00 0.00 C ATOM 1090 CD GLU A 619 -0.847 2.425 7.714 1.00 0.00 C ATOM 1091 OE1 GLU A 619 -0.944 1.766 8.771 1.00 0.00 O ATOM 1092 OE2 GLU A 619 -0.324 3.561 7.672 1.00 0.00 O ATOM 0 H GLU A 619 -1.853 1.618 4.056 1.00 0.00 H new ATOM 0 HA GLU A 619 -3.725 0.230 5.641 1.00 0.00 H new ATOM 0 HB2 GLU A 619 -3.017 3.147 5.990 1.00 0.00 H new ATOM 0 HB3 GLU A 619 -3.377 1.956 7.224 1.00 0.00 H new ATOM 0 HG2 GLU A 619 -1.224 0.756 6.435 1.00 0.00 H new ATOM 0 HG3 GLU A 619 -0.855 2.243 5.586 1.00 0.00 H new ATOM 1099 N GLN A 620 -4.838 2.914 4.050 1.00 0.00 N ATOM 1100 CA GLN A 620 -6.061 3.610 3.656 1.00 0.00 C ATOM 1101 C GLN A 620 -6.916 2.742 2.745 1.00 0.00 C ATOM 1102 O GLN A 620 -8.142 2.796 2.796 1.00 0.00 O ATOM 1103 CB GLN A 620 -5.760 4.944 2.976 1.00 0.00 C ATOM 1104 CG GLN A 620 -4.905 4.837 1.730 1.00 0.00 C ATOM 1105 CD GLN A 620 -4.752 6.166 1.025 1.00 0.00 C ATOM 1106 OE1 GLN A 620 -3.833 6.932 1.311 1.00 0.00 O ATOM 1107 NE2 GLN A 620 -5.653 6.447 0.100 1.00 0.00 N ATOM 0 H GLN A 620 -3.977 3.319 3.681 1.00 0.00 H new ATOM 0 HA GLN A 620 -6.618 3.815 4.570 1.00 0.00 H new ATOM 0 HB2 GLN A 620 -6.703 5.424 2.714 1.00 0.00 H new ATOM 0 HB3 GLN A 620 -5.258 5.596 3.691 1.00 0.00 H new ATOM 0 HG2 GLN A 620 -3.920 4.455 1.999 1.00 0.00 H new ATOM 0 HG3 GLN A 620 -5.351 4.115 1.047 1.00 0.00 H new ATOM 0 HE21 GLN A 620 -6.399 5.782 -0.105 1.00 0.00 H new ATOM 0 HE22 GLN A 620 -5.603 7.329 -0.409 1.00 0.00 H new ATOM 1116 N ALA A 621 -6.274 1.936 1.919 1.00 0.00 N ATOM 1117 CA ALA A 621 -7.000 1.012 1.075 1.00 0.00 C ATOM 1118 C ALA A 621 -7.646 -0.066 1.934 1.00 0.00 C ATOM 1119 O ALA A 621 -8.764 -0.503 1.670 1.00 0.00 O ATOM 1120 CB ALA A 621 -6.077 0.396 0.037 1.00 0.00 C ATOM 0 H ALA A 621 -5.260 1.904 1.817 1.00 0.00 H new ATOM 0 HA ALA A 621 -7.782 1.555 0.544 1.00 0.00 H new ATOM 0 HB1 ALA A 621 -6.642 -0.296 -0.588 1.00 0.00 H new ATOM 0 HB2 ALA A 621 -5.653 1.184 -0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 621 -5.273 -0.142 0.539 1.00 0.00 H new ATOM 1126 N PHE A 622 -6.939 -0.468 2.983 1.00 0.00 N ATOM 1127 CA PHE A 622 -7.440 -1.460 3.922 1.00 0.00 C ATOM 1128 C PHE A 622 -8.686 -0.966 4.645 1.00 0.00 C ATOM 1129 O PHE A 622 -9.713 -1.641 4.653 1.00 0.00 O ATOM 1130 CB PHE A 622 -6.368 -1.807 4.949 1.00 0.00 C ATOM 1131 CG PHE A 622 -5.788 -3.181 4.782 1.00 0.00 C ATOM 1132 CD1 PHE A 622 -6.547 -4.309 5.057 1.00 0.00 C ATOM 1133 CD2 PHE A 622 -4.484 -3.345 4.354 1.00 0.00 C ATOM 1134 CE1 PHE A 622 -6.013 -5.573 4.904 1.00 0.00 C ATOM 1135 CE2 PHE A 622 -3.944 -4.607 4.199 1.00 0.00 C ATOM 1136 CZ PHE A 622 -4.709 -5.722 4.474 1.00 0.00 C ATOM 0 H PHE A 622 -6.007 -0.117 3.205 1.00 0.00 H new ATOM 0 HA PHE A 622 -7.702 -2.349 3.348 1.00 0.00 H new ATOM 0 HB2 PHE A 622 -5.564 -1.074 4.883 1.00 0.00 H new ATOM 0 HB3 PHE A 622 -6.795 -1.723 5.948 1.00 0.00 H new ATOM 0 HD1 PHE A 622 -7.567 -4.197 5.394 1.00 0.00 H new ATOM 0 HD2 PHE A 622 -3.880 -2.476 4.138 1.00 0.00 H new ATOM 0 HE1 PHE A 622 -6.614 -6.444 5.120 1.00 0.00 H new ATOM 0 HE2 PHE A 622 -2.924 -4.721 3.863 1.00 0.00 H new ATOM 0 HZ PHE A 622 -4.289 -6.710 4.353 1.00 0.00 H new ATOM 1146 N GLU A 623 -8.599 0.210 5.255 1.00 0.00 N ATOM 1147 CA GLU A 623 -9.730 0.755 5.992 1.00 0.00 C ATOM 1148 C GLU A 623 -10.847 1.180 5.038 1.00 0.00 C ATOM 1149 O GLU A 623 -12.012 1.262 5.429 1.00 0.00 O ATOM 1150 CB GLU A 623 -9.289 1.895 6.923 1.00 0.00 C ATOM 1151 CG GLU A 623 -8.414 2.951 6.268 1.00 0.00 C ATOM 1152 CD GLU A 623 -9.204 4.125 5.722 1.00 0.00 C ATOM 1153 OE1 GLU A 623 -10.239 4.481 6.321 1.00 0.00 O ATOM 1154 OE2 GLU A 623 -8.779 4.721 4.715 1.00 0.00 O ATOM 0 H GLU A 623 -7.766 0.798 5.254 1.00 0.00 H new ATOM 0 HA GLU A 623 -10.136 -0.030 6.630 1.00 0.00 H new ATOM 0 HB2 GLU A 623 -10.178 2.380 7.327 1.00 0.00 H new ATOM 0 HB3 GLU A 623 -8.748 1.467 7.767 1.00 0.00 H new ATOM 0 HG2 GLU A 623 -7.689 3.316 6.996 1.00 0.00 H new ATOM 0 HG3 GLU A 623 -7.848 2.493 5.457 1.00 0.00 H new ATOM 1161 N ARG A 624 -10.493 1.423 3.778 1.00 0.00 N ATOM 1162 CA ARG A 624 -11.491 1.576 2.728 1.00 0.00 C ATOM 1163 C ARG A 624 -12.219 0.254 2.548 1.00 0.00 C ATOM 1164 O ARG A 624 -13.444 0.201 2.561 1.00 0.00 O ATOM 1165 CB ARG A 624 -10.837 1.995 1.403 1.00 0.00 C ATOM 1166 CG ARG A 624 -11.813 2.205 0.256 1.00 0.00 C ATOM 1167 CD ARG A 624 -12.788 3.332 0.553 1.00 0.00 C ATOM 1168 NE ARG A 624 -12.098 4.565 0.941 1.00 0.00 N ATOM 1169 CZ ARG A 624 -12.706 5.614 1.496 1.00 0.00 C ATOM 1170 NH1 ARG A 624 -14.022 5.604 1.671 1.00 0.00 N ATOM 1171 NH2 ARG A 624 -11.998 6.667 1.882 1.00 0.00 N ATOM 0 H ARG A 624 -9.528 1.517 3.463 1.00 0.00 H new ATOM 0 HA ARG A 624 -12.194 2.357 3.018 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -10.280 2.918 1.563 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -10.114 1.233 1.113 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -11.261 2.431 -0.656 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -12.365 1.283 0.074 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -13.402 3.522 -0.327 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -13.463 3.027 1.353 1.00 0.00 H new ATOM 0 HE ARG A 624 -11.093 4.624 0.777 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -14.569 4.793 1.381 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -14.486 6.407 2.096 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -10.986 6.676 1.755 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -12.465 7.468 2.306 1.00 0.00 H new ATOM 1185 N TRP A 625 -11.437 -0.810 2.413 1.00 0.00 N ATOM 1186 CA TRP A 625 -11.961 -2.154 2.223 1.00 0.00 C ATOM 1187 C TRP A 625 -12.877 -2.555 3.377 1.00 0.00 C ATOM 1188 O TRP A 625 -13.992 -3.021 3.156 1.00 0.00 O ATOM 1189 CB TRP A 625 -10.807 -3.153 2.092 1.00 0.00 C ATOM 1190 CG TRP A 625 -11.266 -4.573 2.013 1.00 0.00 C ATOM 1191 CD1 TRP A 625 -11.824 -5.200 0.940 1.00 0.00 C ATOM 1192 CD2 TRP A 625 -11.220 -5.534 3.067 1.00 0.00 C ATOM 1193 NE1 TRP A 625 -12.128 -6.502 1.266 1.00 0.00 N ATOM 1194 CE2 TRP A 625 -11.764 -6.729 2.568 1.00 0.00 C ATOM 1195 CE3 TRP A 625 -10.766 -5.498 4.386 1.00 0.00 C ATOM 1196 CZ2 TRP A 625 -11.870 -7.876 3.346 1.00 0.00 C ATOM 1197 CZ3 TRP A 625 -10.871 -6.635 5.158 1.00 0.00 C ATOM 1198 CH2 TRP A 625 -11.420 -7.811 4.638 1.00 0.00 C ATOM 0 H TRP A 625 -10.418 -0.763 2.432 1.00 0.00 H new ATOM 0 HA TRP A 625 -12.549 -2.164 1.305 1.00 0.00 H new ATOM 0 HB2 TRP A 625 -10.228 -2.915 1.200 1.00 0.00 H new ATOM 0 HB3 TRP A 625 -10.139 -3.041 2.946 1.00 0.00 H new ATOM 0 HD1 TRP A 625 -12.001 -4.744 -0.023 1.00 0.00 H new ATOM 0 HE1 TRP A 625 -12.554 -7.186 0.641 1.00 0.00 H new ATOM 0 HE3 TRP A 625 -10.339 -4.594 4.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 625 -12.292 -8.786 2.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 625 -10.524 -6.617 6.181 1.00 0.00 H new ATOM 0 HH2 TRP A 625 -11.491 -8.686 5.268 1.00 0.00 H new ATOM 1209 N GLU A 626 -12.403 -2.365 4.604 1.00 0.00 N ATOM 1210 CA GLU A 626 -13.187 -2.711 5.784 1.00 0.00 C ATOM 1211 C GLU A 626 -14.474 -1.891 5.839 1.00 0.00 C ATOM 1212 O GLU A 626 -15.520 -2.399 6.228 1.00 0.00 O ATOM 1213 CB GLU A 626 -12.367 -2.507 7.058 1.00 0.00 C ATOM 1214 CG GLU A 626 -11.093 -3.340 7.104 1.00 0.00 C ATOM 1215 CD GLU A 626 -10.369 -3.222 8.430 1.00 0.00 C ATOM 1216 OE1 GLU A 626 -9.982 -2.092 8.802 1.00 0.00 O ATOM 1217 OE2 GLU A 626 -10.178 -4.255 9.106 1.00 0.00 O ATOM 0 H GLU A 626 -11.483 -1.975 4.807 1.00 0.00 H new ATOM 0 HA GLU A 626 -13.455 -3.765 5.714 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -12.105 -1.453 7.146 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -12.985 -2.755 7.921 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -11.340 -4.386 6.921 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -10.427 -3.024 6.301 1.00 0.00 H new ATOM 1224 N TYR A 627 -14.393 -0.624 5.438 1.00 0.00 N ATOM 1225 CA TYR A 627 -15.581 0.217 5.317 1.00 0.00 C ATOM 1226 C TYR A 627 -16.537 -0.369 4.285 1.00 0.00 C ATOM 1227 O TYR A 627 -17.745 -0.410 4.502 1.00 0.00 O ATOM 1228 CB TYR A 627 -15.183 1.656 4.945 1.00 0.00 C ATOM 1229 CG TYR A 627 -16.235 2.436 4.177 1.00 0.00 C ATOM 1230 CD1 TYR A 627 -17.476 2.746 4.731 1.00 0.00 C ATOM 1231 CD2 TYR A 627 -15.980 2.854 2.880 1.00 0.00 C ATOM 1232 CE1 TYR A 627 -18.421 3.450 4.010 1.00 0.00 C ATOM 1233 CE2 TYR A 627 -16.919 3.556 2.154 1.00 0.00 C ATOM 1234 CZ TYR A 627 -18.137 3.853 2.722 1.00 0.00 C ATOM 1235 OH TYR A 627 -19.077 4.545 1.995 1.00 0.00 O ATOM 0 H TYR A 627 -13.519 -0.158 5.192 1.00 0.00 H new ATOM 0 HA TYR A 627 -16.093 0.246 6.279 1.00 0.00 H new ATOM 0 HB2 TYR A 627 -14.946 2.199 5.860 1.00 0.00 H new ATOM 0 HB3 TYR A 627 -14.271 1.622 4.349 1.00 0.00 H new ATOM 0 HD1 TYR A 627 -17.702 2.431 5.739 1.00 0.00 H new ATOM 0 HD2 TYR A 627 -15.026 2.625 2.429 1.00 0.00 H new ATOM 0 HE1 TYR A 627 -19.378 3.684 4.453 1.00 0.00 H new ATOM 0 HE2 TYR A 627 -16.700 3.871 1.145 1.00 0.00 H new ATOM 0 HH TYR A 627 -18.716 4.754 1.108 1.00 0.00 H new ATOM 1245 N LEU A 628 -15.991 -0.845 3.177 1.00 0.00 N ATOM 1246 CA LEU A 628 -16.804 -1.428 2.121 1.00 0.00 C ATOM 1247 C LEU A 628 -17.456 -2.717 2.610 1.00 0.00 C ATOM 1248 O LEU A 628 -18.645 -2.945 2.393 1.00 0.00 O ATOM 1249 CB LEU A 628 -15.954 -1.683 0.867 1.00 0.00 C ATOM 1250 CG LEU A 628 -15.185 -0.460 0.354 1.00 0.00 C ATOM 1251 CD1 LEU A 628 -14.451 -0.778 -0.936 1.00 0.00 C ATOM 1252 CD2 LEU A 628 -16.114 0.725 0.159 1.00 0.00 C ATOM 0 H LEU A 628 -14.989 -0.839 2.986 1.00 0.00 H new ATOM 0 HA LEU A 628 -17.593 -0.724 1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -15.241 -2.479 1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -16.605 -2.046 0.071 1.00 0.00 H new ATOM 0 HG LEU A 628 -14.446 -0.194 1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -13.914 0.107 -1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -13.742 -1.587 -0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -15.169 -1.083 -1.697 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -15.543 1.579 -0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -16.885 0.467 -0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -16.582 0.981 1.110 1.00 0.00 H new ATOM 1264 N GLU A 629 -16.671 -3.545 3.290 1.00 0.00 N ATOM 1265 CA GLU A 629 -17.173 -4.771 3.899 1.00 0.00 C ATOM 1266 C GLU A 629 -18.248 -4.469 4.937 1.00 0.00 C ATOM 1267 O GLU A 629 -19.280 -5.142 4.997 1.00 0.00 O ATOM 1268 CB GLU A 629 -16.025 -5.534 4.559 1.00 0.00 C ATOM 1269 CG GLU A 629 -15.222 -6.389 3.599 1.00 0.00 C ATOM 1270 CD GLU A 629 -15.982 -7.622 3.160 1.00 0.00 C ATOM 1271 OE1 GLU A 629 -15.870 -8.661 3.842 1.00 0.00 O ATOM 1272 OE2 GLU A 629 -16.700 -7.562 2.140 1.00 0.00 O ATOM 0 H GLU A 629 -15.674 -3.387 3.434 1.00 0.00 H new ATOM 0 HA GLU A 629 -17.615 -5.382 3.112 1.00 0.00 H new ATOM 0 HB2 GLU A 629 -15.357 -4.820 5.040 1.00 0.00 H new ATOM 0 HB3 GLU A 629 -16.430 -6.171 5.345 1.00 0.00 H new ATOM 0 HG2 GLU A 629 -14.956 -5.797 2.723 1.00 0.00 H new ATOM 0 HG3 GLU A 629 -14.289 -6.690 4.076 1.00 0.00 H new ATOM 1279 N ALA A 630 -17.994 -3.456 5.750 1.00 0.00 N ATOM 1280 CA ALA A 630 -18.911 -3.068 6.809 1.00 0.00 C ATOM 1281 C ALA A 630 -20.185 -2.463 6.247 1.00 0.00 C ATOM 1282 O ALA A 630 -21.277 -2.847 6.641 1.00 0.00 O ATOM 1283 CB ALA A 630 -18.235 -2.087 7.752 1.00 0.00 C ATOM 0 H ALA A 630 -17.152 -2.883 5.695 1.00 0.00 H new ATOM 0 HA ALA A 630 -19.185 -3.967 7.362 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -18.931 -1.803 8.541 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -17.356 -2.555 8.194 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -17.933 -1.198 7.197 1.00 0.00 H new ATOM 1289 N LEU A 631 -20.045 -1.524 5.319 1.00 0.00 N ATOM 1290 CA LEU A 631 -21.198 -0.853 4.728 1.00 0.00 C ATOM 1291 C LEU A 631 -22.099 -1.859 4.033 1.00 0.00 C ATOM 1292 O LEU A 631 -23.320 -1.724 4.022 1.00 0.00 O ATOM 1293 CB LEU A 631 -20.755 0.195 3.713 1.00 0.00 C ATOM 1294 CG LEU A 631 -21.834 1.209 3.349 1.00 0.00 C ATOM 1295 CD1 LEU A 631 -21.990 2.217 4.467 1.00 0.00 C ATOM 1296 CD2 LEU A 631 -21.516 1.901 2.039 1.00 0.00 C ATOM 0 H LEU A 631 -19.144 -1.209 4.959 1.00 0.00 H new ATOM 0 HA LEU A 631 -21.745 -0.365 5.534 1.00 0.00 H new ATOM 0 HB2 LEU A 631 -19.891 0.728 4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 631 -20.427 -0.311 2.805 1.00 0.00 H new ATOM 0 HG LEU A 631 -22.777 0.679 3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 631 -22.762 2.939 4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 631 -22.275 1.702 5.384 1.00 0.00 H new ATOM 0 HD13 LEU A 631 -21.045 2.737 4.622 1.00 0.00 H new ATOM 0 HD21 LEU A 631 -22.303 2.618 1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 631 -20.563 2.423 2.125 1.00 0.00 H new ATOM 0 HD23 LEU A 631 -21.453 1.160 1.242 1.00 0.00 H new ATOM 1308 N LYS A 632 -21.470 -2.866 3.456 1.00 0.00 N ATOM 1309 CA LYS A 632 -22.172 -3.903 2.728 1.00 0.00 C ATOM 1310 C LYS A 632 -23.030 -4.753 3.664 1.00 0.00 C ATOM 1311 O LYS A 632 -24.085 -5.247 3.271 1.00 0.00 O ATOM 1312 CB LYS A 632 -21.145 -4.765 1.982 1.00 0.00 C ATOM 1313 CG LYS A 632 -21.705 -6.017 1.324 1.00 0.00 C ATOM 1314 CD LYS A 632 -21.444 -7.255 2.168 1.00 0.00 C ATOM 1315 CE LYS A 632 -19.958 -7.455 2.430 1.00 0.00 C ATOM 1316 NZ LYS A 632 -19.190 -7.720 1.182 1.00 0.00 N ATOM 0 H LYS A 632 -20.457 -2.987 3.480 1.00 0.00 H new ATOM 0 HA LYS A 632 -22.850 -3.443 2.009 1.00 0.00 H new ATOM 0 HB2 LYS A 632 -20.669 -4.153 1.216 1.00 0.00 H new ATOM 0 HB3 LYS A 632 -20.365 -5.061 2.683 1.00 0.00 H new ATOM 0 HG2 LYS A 632 -22.778 -5.900 1.170 1.00 0.00 H new ATOM 0 HG3 LYS A 632 -21.254 -6.145 0.340 1.00 0.00 H new ATOM 0 HD2 LYS A 632 -21.972 -7.166 3.117 1.00 0.00 H new ATOM 0 HD3 LYS A 632 -21.845 -8.132 1.661 1.00 0.00 H new ATOM 0 HE2 LYS A 632 -19.556 -6.568 2.919 1.00 0.00 H new ATOM 0 HE3 LYS A 632 -19.823 -8.288 3.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 632 -18.213 -7.982 1.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 632 -19.638 -8.499 0.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 632 -19.182 -6.864 0.591 1.00 0.00 H new