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 Set 1.1: A 604 THR OG1 : rot 180:sc= -0.452 USER MOD Set 1.2: A 605 GLN : amide:sc= -1.87! C(o=-2.3!,f=-4!) USER MOD Single : A 563 SER OG : rot 180:sc= 0 USER MOD Single : A 564 TYR OH : rot 180:sc= 0 USER MOD Single : A 565 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 567 GLN : amide:sc= -0.569 K(o=-0.57,f=-1.2) USER MOD Single : A 572 GLN : amide:sc= 1.05 K(o=1,f=-0.48) USER MOD Single : A 575 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 583 LYS NZ :NH3+ -125:sc= 1.21 (180deg=0.255) USER MOD Single : A 588 GLN : amide:sc= -2.15! K(o=-2.2!,f=-1.1) USER MOD Single : A 589 THR OG1 : rot 180:sc= 0 USER MOD Single : A 590 GLN : amide:sc= -0.945 K(o=-0.94,f=0) 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= -0.266 X(o=-0.27,f=-0.65) USER MOD Single : A 601 HIS : no HD1:sc= -2.49! C(o=-2.5!,f=-2.5!) USER MOD Single : A 603 GLN : amide:sc=-0.00701 K(o=-0.007,f=-0.6) USER MOD Single : A 606 LYS NZ :NH3+ 160:sc= -0.0832 (180deg=-0.433) USER MOD Single : A 611 MET CE :methyl 154:sc= -0.776 (180deg=-1.74) USER MOD Single : A 616 GLN : amide:sc= -2.12! C(o=-2.1!,f=-5!) USER MOD Single : A 620 GLN : amide:sc= 0.0102 X(o=0.01,f=0) USER MOD Single : A 627 TYR OH : rot 180:sc= 0 USER MOD Single : A 632 LYS NZ :NH3+ -156:sc= 1.12 (180deg=-0.282) USER MOD ----------------------------------------------------------------- ATOM 198 N SER A 563 -23.086 0.005 -2.833 1.00 0.00 N ATOM 199 CA SER A 563 -23.300 0.706 -4.092 1.00 0.00 C ATOM 200 C SER A 563 -22.268 0.258 -5.127 1.00 0.00 C ATOM 201 O SER A 563 -21.263 -0.355 -4.761 1.00 0.00 O ATOM 202 CB SER A 563 -23.193 2.215 -3.851 1.00 0.00 C ATOM 203 OG SER A 563 -23.678 2.958 -4.955 1.00 0.00 O ATOM 0 HA SER A 563 -24.293 0.471 -4.476 1.00 0.00 H new ATOM 0 HB2 SER A 563 -23.757 2.482 -2.957 1.00 0.00 H new ATOM 0 HB3 SER A 563 -22.153 2.480 -3.663 1.00 0.00 H new ATOM 0 HG SER A 563 -23.596 3.916 -4.766 1.00 0.00 H new ATOM 209 N TYR A 564 -22.489 0.562 -6.406 1.00 0.00 N ATOM 210 CA TYR A 564 -21.573 0.098 -7.446 1.00 0.00 C ATOM 211 C TYR A 564 -20.163 0.603 -7.185 1.00 0.00 C ATOM 212 O TYR A 564 -19.184 -0.093 -7.475 1.00 0.00 O ATOM 213 CB TYR A 564 -22.016 0.522 -8.842 1.00 0.00 C ATOM 214 CG TYR A 564 -21.252 -0.210 -9.919 1.00 0.00 C ATOM 215 CD1 TYR A 564 -20.033 0.265 -10.385 1.00 0.00 C ATOM 216 CD2 TYR A 564 -21.738 -1.396 -10.441 1.00 0.00 C ATOM 217 CE1 TYR A 564 -19.322 -0.422 -11.349 1.00 0.00 C ATOM 218 CE2 TYR A 564 -21.035 -2.094 -11.402 1.00 0.00 C ATOM 219 CZ TYR A 564 -19.828 -1.605 -11.854 1.00 0.00 C ATOM 220 OH TYR A 564 -19.127 -2.304 -12.812 1.00 0.00 O ATOM 0 H TYR A 564 -23.277 1.116 -6.742 1.00 0.00 H new ATOM 0 HA TYR A 564 -21.585 -0.991 -7.408 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -23.083 0.330 -8.959 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -21.870 1.596 -8.959 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -19.635 1.187 -9.987 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -22.684 -1.782 -10.090 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -18.378 -0.038 -11.706 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -21.429 -3.019 -11.798 1.00 0.00 H new ATOM 0 HH TYR A 564 -19.624 -3.113 -13.056 1.00 0.00 H new ATOM 230 N LYS A 565 -20.070 1.803 -6.618 1.00 0.00 N ATOM 231 CA LYS A 565 -18.787 2.387 -6.250 1.00 0.00 C ATOM 232 C LYS A 565 -17.963 1.375 -5.476 1.00 0.00 C ATOM 233 O LYS A 565 -16.781 1.193 -5.723 1.00 0.00 O ATOM 234 CB LYS A 565 -18.982 3.612 -5.357 1.00 0.00 C ATOM 235 CG LYS A 565 -19.974 4.627 -5.878 1.00 0.00 C ATOM 236 CD LYS A 565 -20.333 5.632 -4.799 1.00 0.00 C ATOM 237 CE LYS A 565 -19.108 6.383 -4.295 1.00 0.00 C ATOM 238 NZ LYS A 565 -18.683 7.451 -5.234 1.00 0.00 N ATOM 0 H LYS A 565 -20.875 2.392 -6.403 1.00 0.00 H new ATOM 0 HA LYS A 565 -18.279 2.678 -7.169 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -19.309 3.278 -4.373 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -18.018 4.103 -5.223 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -19.552 5.146 -6.739 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -20.875 4.119 -6.222 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -21.059 6.344 -5.192 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -20.811 5.116 -3.966 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -19.328 6.823 -3.322 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -18.287 5.681 -4.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -17.846 7.936 -4.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -18.448 7.030 -6.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -19.456 8.136 -5.353 1.00 0.00 H new ATOM 252 N LEU A 566 -18.622 0.699 -4.557 1.00 0.00 N ATOM 253 CA LEU A 566 -17.965 -0.246 -3.683 1.00 0.00 C ATOM 254 C LEU A 566 -17.901 -1.605 -4.353 1.00 0.00 C ATOM 255 O LEU A 566 -16.999 -2.387 -4.096 1.00 0.00 O ATOM 256 CB LEU A 566 -18.714 -0.363 -2.357 1.00 0.00 C ATOM 257 CG LEU A 566 -18.965 0.947 -1.610 1.00 0.00 C ATOM 258 CD1 LEU A 566 -20.162 1.691 -2.180 1.00 0.00 C ATOM 259 CD2 LEU A 566 -19.177 0.665 -0.145 1.00 0.00 C ATOM 0 H LEU A 566 -19.625 0.790 -4.397 1.00 0.00 H new ATOM 0 HA LEU A 566 -16.955 0.111 -3.483 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -19.676 -0.840 -2.547 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -18.152 -1.029 -1.703 1.00 0.00 H new ATOM 0 HG LEU A 566 -18.089 1.583 -1.735 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -20.312 2.618 -1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -19.981 1.921 -3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -21.052 1.068 -2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -19.356 1.601 0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -20.039 0.009 -0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -18.290 0.181 0.264 1.00 0.00 H new ATOM 271 N GLN A 567 -18.868 -1.871 -5.218 1.00 0.00 N ATOM 272 CA GLN A 567 -18.924 -3.127 -5.947 1.00 0.00 C ATOM 273 C GLN A 567 -17.675 -3.320 -6.791 1.00 0.00 C ATOM 274 O GLN A 567 -17.047 -4.377 -6.755 1.00 0.00 O ATOM 275 CB GLN A 567 -20.172 -3.176 -6.832 1.00 0.00 C ATOM 276 CG GLN A 567 -21.469 -3.266 -6.046 1.00 0.00 C ATOM 277 CD GLN A 567 -22.695 -3.309 -6.931 1.00 0.00 C ATOM 278 OE1 GLN A 567 -22.648 -3.804 -8.057 1.00 0.00 O ATOM 279 NE2 GLN A 567 -23.806 -2.804 -6.419 1.00 0.00 N ATOM 0 H GLN A 567 -19.630 -1.228 -5.433 1.00 0.00 H new ATOM 0 HA GLN A 567 -18.976 -3.938 -5.220 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -20.198 -2.285 -7.460 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -20.101 -4.035 -7.500 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -21.447 -4.159 -5.421 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -21.541 -2.409 -5.376 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -23.799 -2.403 -5.481 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -24.669 -2.815 -6.962 1.00 0.00 H new ATOM 288 N ARG A 568 -17.309 -2.295 -7.546 1.00 0.00 N ATOM 289 CA ARG A 568 -16.122 -2.377 -8.379 1.00 0.00 C ATOM 290 C ARG A 568 -14.870 -2.051 -7.564 1.00 0.00 C ATOM 291 O ARG A 568 -13.762 -2.437 -7.929 1.00 0.00 O ATOM 292 CB ARG A 568 -16.258 -1.478 -9.617 1.00 0.00 C ATOM 293 CG ARG A 568 -15.590 -0.118 -9.529 1.00 0.00 C ATOM 294 CD ARG A 568 -16.365 0.839 -8.646 1.00 0.00 C ATOM 295 NE ARG A 568 -15.947 2.228 -8.856 1.00 0.00 N ATOM 296 CZ ARG A 568 -15.061 2.869 -8.088 1.00 0.00 C ATOM 297 NH1 ARG A 568 -14.541 2.271 -7.029 1.00 0.00 N ATOM 298 NH2 ARG A 568 -14.702 4.113 -8.380 1.00 0.00 N ATOM 0 H ARG A 568 -17.810 -1.408 -7.598 1.00 0.00 H new ATOM 0 HA ARG A 568 -16.018 -3.401 -8.739 1.00 0.00 H new ATOM 0 HB2 ARG A 568 -15.844 -2.009 -10.474 1.00 0.00 H new ATOM 0 HB3 ARG A 568 -17.319 -1.327 -9.817 1.00 0.00 H new ATOM 0 HG2 ARG A 568 -14.580 -0.235 -9.137 1.00 0.00 H new ATOM 0 HG3 ARG A 568 -15.497 0.306 -10.529 1.00 0.00 H new ATOM 0 HD2 ARG A 568 -17.431 0.744 -8.854 1.00 0.00 H new ATOM 0 HD3 ARG A 568 -16.219 0.569 -7.600 1.00 0.00 H new ATOM 0 HE ARG A 568 -16.358 2.738 -9.638 1.00 0.00 H new ATOM 0 HH11 ARG A 568 -14.816 1.317 -6.796 1.00 0.00 H new ATOM 0 HH12 ARG A 568 -13.865 2.764 -6.446 1.00 0.00 H new ATOM 0 HH21 ARG A 568 -15.103 4.582 -9.192 1.00 0.00 H new ATOM 0 HH22 ARG A 568 -14.026 4.600 -7.792 1.00 0.00 H new ATOM 312 N GLU A 569 -15.062 -1.359 -6.442 1.00 0.00 N ATOM 313 CA GLU A 569 -13.954 -1.019 -5.558 1.00 0.00 C ATOM 314 C GLU A 569 -13.477 -2.267 -4.824 1.00 0.00 C ATOM 315 O GLU A 569 -12.314 -2.642 -4.905 1.00 0.00 O ATOM 316 CB GLU A 569 -14.373 0.055 -4.544 1.00 0.00 C ATOM 317 CG GLU A 569 -13.193 0.743 -3.880 1.00 0.00 C ATOM 318 CD GLU A 569 -12.357 1.526 -4.874 1.00 0.00 C ATOM 319 OE1 GLU A 569 -11.460 0.932 -5.506 1.00 0.00 O ATOM 320 OE2 GLU A 569 -12.612 2.738 -5.046 1.00 0.00 O ATOM 0 H GLU A 569 -15.972 -1.025 -6.126 1.00 0.00 H new ATOM 0 HA GLU A 569 -13.140 -0.621 -6.163 1.00 0.00 H new ATOM 0 HB2 GLU A 569 -14.985 0.803 -5.048 1.00 0.00 H new ATOM 0 HB3 GLU A 569 -14.997 -0.403 -3.777 1.00 0.00 H new ATOM 0 HG2 GLU A 569 -13.556 1.416 -3.103 1.00 0.00 H new ATOM 0 HG3 GLU A 569 -12.568 -0.003 -3.389 1.00 0.00 H new ATOM 327 N LEU A 570 -14.408 -2.933 -4.157 1.00 0.00 N ATOM 328 CA LEU A 570 -14.118 -4.121 -3.357 1.00 0.00 C ATOM 329 C LEU A 570 -13.646 -5.270 -4.252 1.00 0.00 C ATOM 330 O LEU A 570 -13.078 -6.252 -3.785 1.00 0.00 O ATOM 331 CB LEU A 570 -15.377 -4.518 -2.573 1.00 0.00 C ATOM 332 CG LEU A 570 -15.152 -5.017 -1.140 1.00 0.00 C ATOM 333 CD1 LEU A 570 -16.474 -5.072 -0.393 1.00 0.00 C ATOM 334 CD2 LEU A 570 -14.497 -6.388 -1.125 1.00 0.00 C ATOM 0 H LEU A 570 -15.392 -2.666 -4.153 1.00 0.00 H new ATOM 0 HA LEU A 570 -13.315 -3.899 -2.654 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -16.043 -3.656 -2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -15.896 -5.298 -3.130 1.00 0.00 H new ATOM 0 HG LEU A 570 -14.481 -4.315 -0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 570 -16.303 -5.427 0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -16.915 -4.076 -0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 570 -17.154 -5.752 -0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 570 -14.352 -6.711 -0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 570 -15.137 -7.103 -1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 570 -13.531 -6.335 -1.628 1.00 0.00 H new ATOM 346 N GLU A 571 -13.899 -5.138 -5.540 1.00 0.00 N ATOM 347 CA GLU A 571 -13.528 -6.129 -6.511 1.00 0.00 C ATOM 348 C GLU A 571 -12.035 -6.044 -6.850 1.00 0.00 C ATOM 349 O GLU A 571 -11.400 -7.050 -7.178 1.00 0.00 O ATOM 350 CB GLU A 571 -14.424 -5.915 -7.729 1.00 0.00 C ATOM 351 CG GLU A 571 -13.752 -6.146 -9.051 1.00 0.00 C ATOM 352 CD GLU A 571 -14.746 -6.156 -10.191 1.00 0.00 C ATOM 353 OE1 GLU A 571 -15.319 -7.231 -10.475 1.00 0.00 O ATOM 354 OE2 GLU A 571 -14.990 -5.087 -10.781 1.00 0.00 O ATOM 0 H GLU A 571 -14.374 -4.328 -5.938 1.00 0.00 H new ATOM 0 HA GLU A 571 -13.674 -7.136 -6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 571 -15.283 -6.581 -7.652 1.00 0.00 H new ATOM 0 HB3 GLU A 571 -14.808 -4.895 -7.706 1.00 0.00 H new ATOM 0 HG2 GLU A 571 -13.010 -5.367 -9.223 1.00 0.00 H new ATOM 0 HG3 GLU A 571 -13.217 -7.096 -9.026 1.00 0.00 H new ATOM 361 N GLN A 572 -11.467 -4.850 -6.728 1.00 0.00 N ATOM 362 CA GLN A 572 -10.057 -4.643 -7.047 1.00 0.00 C ATOM 363 C GLN A 572 -9.231 -4.349 -5.798 1.00 0.00 C ATOM 364 O GLN A 572 -8.046 -4.667 -5.732 1.00 0.00 O ATOM 365 CB GLN A 572 -9.907 -3.485 -8.033 1.00 0.00 C ATOM 366 CG GLN A 572 -10.662 -2.230 -7.617 1.00 0.00 C ATOM 367 CD GLN A 572 -10.455 -1.071 -8.568 1.00 0.00 C ATOM 368 OE1 GLN A 572 -10.220 -1.259 -9.764 1.00 0.00 O ATOM 369 NE2 GLN A 572 -10.558 0.143 -8.049 1.00 0.00 N ATOM 0 H GLN A 572 -11.957 -4.013 -6.412 1.00 0.00 H new ATOM 0 HA GLN A 572 -9.685 -5.565 -7.494 1.00 0.00 H new ATOM 0 HB2 GLN A 572 -8.849 -3.244 -8.140 1.00 0.00 H new ATOM 0 HB3 GLN A 572 -10.262 -3.805 -9.013 1.00 0.00 H new ATOM 0 HG2 GLN A 572 -11.726 -2.457 -7.556 1.00 0.00 H new ATOM 0 HG3 GLN A 572 -10.341 -1.934 -6.618 1.00 0.00 H new ATOM 0 HE21 GLN A 572 -10.753 0.258 -7.054 1.00 0.00 H new ATOM 0 HE22 GLN A 572 -10.442 0.963 -8.644 1.00 0.00 H new ATOM 378 N LEU A 573 -9.879 -3.736 -4.821 1.00 0.00 N ATOM 379 CA LEU A 573 -9.230 -3.264 -3.595 1.00 0.00 C ATOM 380 C LEU A 573 -8.385 -4.363 -2.914 1.00 0.00 C ATOM 381 O LEU A 573 -7.249 -4.098 -2.549 1.00 0.00 O ATOM 382 CB LEU A 573 -10.303 -2.724 -2.635 1.00 0.00 C ATOM 383 CG LEU A 573 -9.891 -1.538 -1.753 1.00 0.00 C ATOM 384 CD1 LEU A 573 -11.061 -1.091 -0.902 1.00 0.00 C ATOM 385 CD2 LEU A 573 -8.698 -1.875 -0.876 1.00 0.00 C ATOM 0 H LEU A 573 -10.881 -3.547 -4.851 1.00 0.00 H new ATOM 0 HA LEU A 573 -8.536 -2.467 -3.862 1.00 0.00 H new ATOM 0 HB2 LEU A 573 -11.171 -2.427 -3.224 1.00 0.00 H new ATOM 0 HB3 LEU A 573 -10.622 -3.539 -1.985 1.00 0.00 H new ATOM 0 HG LEU A 573 -9.593 -0.722 -2.411 1.00 0.00 H new ATOM 0 HD11 LEU A 573 -10.758 -0.249 -0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 573 -11.885 -0.787 -1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 573 -11.383 -1.915 -0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 573 -8.438 -1.009 -0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 573 -8.949 -2.713 -0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 573 -7.849 -2.145 -1.504 1.00 0.00 H new ATOM 397 N PRO A 574 -8.903 -5.599 -2.714 1.00 0.00 N ATOM 398 CA PRO A 574 -8.111 -6.694 -2.125 1.00 0.00 C ATOM 399 C PRO A 574 -6.803 -6.940 -2.878 1.00 0.00 C ATOM 400 O PRO A 574 -5.747 -7.103 -2.263 1.00 0.00 O ATOM 401 CB PRO A 574 -9.032 -7.908 -2.237 1.00 0.00 C ATOM 402 CG PRO A 574 -10.402 -7.333 -2.269 1.00 0.00 C ATOM 403 CD PRO A 574 -10.280 -6.029 -3.003 1.00 0.00 C ATOM 0 HA PRO A 574 -7.809 -6.469 -1.102 1.00 0.00 H new ATOM 0 HB2 PRO A 574 -8.822 -8.484 -3.138 1.00 0.00 H new ATOM 0 HB3 PRO A 574 -8.904 -8.583 -1.391 1.00 0.00 H new ATOM 0 HG2 PRO A 574 -11.096 -8.004 -2.776 1.00 0.00 H new ATOM 0 HG3 PRO A 574 -10.786 -7.180 -1.260 1.00 0.00 H new ATOM 0 HD2 PRO A 574 -10.445 -6.154 -4.073 1.00 0.00 H new ATOM 0 HD3 PRO A 574 -11.010 -5.300 -2.651 1.00 0.00 H new ATOM 411 N GLN A 575 -6.874 -6.948 -4.210 1.00 0.00 N ATOM 412 CA GLN A 575 -5.676 -7.100 -5.032 1.00 0.00 C ATOM 413 C GLN A 575 -4.747 -5.918 -4.820 1.00 0.00 C ATOM 414 O GLN A 575 -3.527 -6.056 -4.807 1.00 0.00 O ATOM 415 CB GLN A 575 -6.022 -7.199 -6.517 1.00 0.00 C ATOM 416 CG GLN A 575 -6.796 -8.446 -6.900 1.00 0.00 C ATOM 417 CD GLN A 575 -6.816 -8.654 -8.399 1.00 0.00 C ATOM 418 OE1 GLN A 575 -7.703 -8.168 -9.101 1.00 0.00 O ATOM 419 NE2 GLN A 575 -5.834 -9.385 -8.904 1.00 0.00 N ATOM 0 H GLN A 575 -7.742 -6.852 -4.738 1.00 0.00 H new ATOM 0 HA GLN A 575 -5.185 -8.024 -4.727 1.00 0.00 H new ATOM 0 HB2 GLN A 575 -6.605 -6.323 -6.800 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -5.099 -7.168 -7.095 1.00 0.00 H new ATOM 0 HG2 GLN A 575 -6.348 -9.315 -6.418 1.00 0.00 H new ATOM 0 HG3 GLN A 575 -7.818 -8.368 -6.530 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -5.117 -9.771 -8.289 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -5.794 -9.562 -9.908 1.00 0.00 H new ATOM 428 N LEU A 576 -5.343 -4.756 -4.649 1.00 0.00 N ATOM 429 CA LEU A 576 -4.598 -3.543 -4.389 1.00 0.00 C ATOM 430 C LEU A 576 -3.933 -3.590 -3.012 1.00 0.00 C ATOM 431 O LEU A 576 -2.838 -3.070 -2.827 1.00 0.00 O ATOM 432 CB LEU A 576 -5.523 -2.338 -4.500 1.00 0.00 C ATOM 433 CG LEU A 576 -4.922 -1.030 -4.015 1.00 0.00 C ATOM 434 CD1 LEU A 576 -3.900 -0.503 -5.012 1.00 0.00 C ATOM 435 CD2 LEU A 576 -6.009 0.002 -3.745 1.00 0.00 C ATOM 0 H LEU A 576 -6.354 -4.627 -4.686 1.00 0.00 H new ATOM 0 HA LEU A 576 -3.807 -3.453 -5.134 1.00 0.00 H new ATOM 0 HB2 LEU A 576 -5.821 -2.221 -5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 576 -6.430 -2.539 -3.929 1.00 0.00 H new ATOM 0 HG LEU A 576 -4.405 -1.222 -3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 576 -3.483 0.434 -4.644 1.00 0.00 H new ATOM 0 HD12 LEU A 576 -3.100 -1.233 -5.134 1.00 0.00 H new ATOM 0 HD13 LEU A 576 -4.384 -0.332 -5.973 1.00 0.00 H new ATOM 0 HD21 LEU A 576 -5.552 0.929 -3.399 1.00 0.00 H new ATOM 0 HD22 LEU A 576 -6.566 0.192 -4.662 1.00 0.00 H new ATOM 0 HD23 LEU A 576 -6.688 -0.376 -2.980 1.00 0.00 H new ATOM 447 N LEU A 577 -4.598 -4.211 -2.048 1.00 0.00 N ATOM 448 CA LEU A 577 -4.008 -4.414 -0.733 1.00 0.00 C ATOM 449 C LEU A 577 -2.756 -5.250 -0.832 1.00 0.00 C ATOM 450 O LEU A 577 -1.699 -4.843 -0.372 1.00 0.00 O ATOM 451 CB LEU A 577 -4.989 -5.074 0.236 1.00 0.00 C ATOM 452 CG LEU A 577 -5.833 -4.126 1.092 1.00 0.00 C ATOM 453 CD1 LEU A 577 -5.555 -2.661 0.763 1.00 0.00 C ATOM 454 CD2 LEU A 577 -7.312 -4.447 0.946 1.00 0.00 C ATOM 0 H LEU A 577 -5.543 -4.582 -2.151 1.00 0.00 H new ATOM 0 HA LEU A 577 -3.755 -3.428 -0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.663 -5.709 -0.338 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -4.426 -5.727 0.902 1.00 0.00 H new ATOM 0 HG LEU A 577 -5.547 -4.280 2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -6.175 -2.023 1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -4.503 -2.440 0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -5.788 -2.473 -0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -7.895 -3.763 1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -7.607 -4.337 -0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -7.496 -5.472 1.269 1.00 0.00 H new ATOM 466 N GLU A 578 -2.865 -6.411 -1.449 1.00 0.00 N ATOM 467 CA GLU A 578 -1.706 -7.268 -1.604 1.00 0.00 C ATOM 468 C GLU A 578 -0.685 -6.621 -2.543 1.00 0.00 C ATOM 469 O GLU A 578 0.497 -6.960 -2.510 1.00 0.00 O ATOM 470 CB GLU A 578 -2.106 -8.666 -2.080 1.00 0.00 C ATOM 471 CG GLU A 578 -2.937 -8.689 -3.348 1.00 0.00 C ATOM 472 CD GLU A 578 -3.431 -10.078 -3.681 1.00 0.00 C ATOM 473 OE1 GLU A 578 -4.482 -10.484 -3.140 1.00 0.00 O ATOM 474 OE2 GLU A 578 -2.763 -10.776 -4.475 1.00 0.00 O ATOM 0 H GLU A 578 -3.730 -6.778 -1.845 1.00 0.00 H new ATOM 0 HA GLU A 578 -1.236 -7.388 -0.628 1.00 0.00 H new ATOM 0 HB2 GLU A 578 -1.202 -9.252 -2.244 1.00 0.00 H new ATOM 0 HB3 GLU A 578 -2.666 -9.159 -1.286 1.00 0.00 H new ATOM 0 HG2 GLU A 578 -3.790 -8.020 -3.234 1.00 0.00 H new ATOM 0 HG3 GLU A 578 -2.341 -8.308 -4.178 1.00 0.00 H new ATOM 481 N ASP A 579 -1.150 -5.674 -3.361 1.00 0.00 N ATOM 482 CA ASP A 579 -0.260 -4.863 -4.193 1.00 0.00 C ATOM 483 C ASP A 579 0.607 -4.003 -3.308 1.00 0.00 C ATOM 484 O ASP A 579 1.824 -4.104 -3.326 1.00 0.00 O ATOM 485 CB ASP A 579 -1.041 -3.914 -5.103 1.00 0.00 C ATOM 486 CG ASP A 579 -0.205 -3.387 -6.256 1.00 0.00 C ATOM 487 OD1 ASP A 579 -0.013 -4.122 -7.244 1.00 0.00 O ATOM 488 OD2 ASP A 579 0.259 -2.229 -6.179 1.00 0.00 O ATOM 0 H ASP A 579 -2.140 -5.450 -3.465 1.00 0.00 H new ATOM 0 HA ASP A 579 0.328 -5.552 -4.799 1.00 0.00 H new ATOM 0 HB2 ASP A 579 -1.913 -4.433 -5.500 1.00 0.00 H new ATOM 0 HB3 ASP A 579 -1.411 -3.075 -4.514 1.00 0.00 H new ATOM 493 N LEU A 580 -0.059 -3.164 -2.527 1.00 0.00 N ATOM 494 CA LEU A 580 0.599 -2.185 -1.679 1.00 0.00 C ATOM 495 C LEU A 580 1.359 -2.858 -0.552 1.00 0.00 C ATOM 496 O LEU A 580 2.340 -2.322 -0.052 1.00 0.00 O ATOM 497 CB LEU A 580 -0.438 -1.233 -1.100 1.00 0.00 C ATOM 498 CG LEU A 580 -1.337 -0.567 -2.136 1.00 0.00 C ATOM 499 CD1 LEU A 580 -2.487 0.152 -1.455 1.00 0.00 C ATOM 500 CD2 LEU A 580 -0.530 0.389 -3.000 1.00 0.00 C ATOM 0 H LEU A 580 -1.077 -3.145 -2.465 1.00 0.00 H new ATOM 0 HA LEU A 580 1.313 -1.630 -2.288 1.00 0.00 H new ATOM 0 HB2 LEU A 580 -1.063 -1.782 -0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 580 0.077 -0.458 -0.533 1.00 0.00 H new ATOM 0 HG LEU A 580 -1.756 -1.337 -2.784 1.00 0.00 H new ATOM 0 HD11 LEU A 580 -3.119 0.622 -2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 580 -3.076 -0.564 -0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 580 -2.093 0.916 -0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 580 -1.185 0.857 -3.735 1.00 0.00 H new ATOM 0 HD22 LEU A 580 -0.083 1.158 -2.371 1.00 0.00 H new ATOM 0 HD23 LEU A 580 0.257 -0.162 -3.515 1.00 0.00 H new ATOM 512 N GLU A 581 0.888 -4.024 -0.146 1.00 0.00 N ATOM 513 CA GLU A 581 1.549 -4.790 0.888 1.00 0.00 C ATOM 514 C GLU A 581 2.875 -5.316 0.373 1.00 0.00 C ATOM 515 O GLU A 581 3.915 -5.100 0.984 1.00 0.00 O ATOM 516 CB GLU A 581 0.678 -5.955 1.331 1.00 0.00 C ATOM 517 CG GLU A 581 1.190 -6.628 2.584 1.00 0.00 C ATOM 518 CD GLU A 581 0.377 -7.840 2.963 1.00 0.00 C ATOM 519 OE1 GLU A 581 0.625 -8.925 2.399 1.00 0.00 O ATOM 520 OE2 GLU A 581 -0.509 -7.717 3.836 1.00 0.00 O ATOM 0 H GLU A 581 0.046 -4.460 -0.521 1.00 0.00 H new ATOM 0 HA GLU A 581 1.723 -4.136 1.743 1.00 0.00 H new ATOM 0 HB2 GLU A 581 -0.337 -5.598 1.505 1.00 0.00 H new ATOM 0 HB3 GLU A 581 0.624 -6.689 0.527 1.00 0.00 H new ATOM 0 HG2 GLU A 581 2.229 -6.923 2.435 1.00 0.00 H new ATOM 0 HG3 GLU A 581 1.177 -5.914 3.407 1.00 0.00 H new ATOM 527 N ALA A 582 2.829 -5.989 -0.771 1.00 0.00 N ATOM 528 CA ALA A 582 4.036 -6.515 -1.402 1.00 0.00 C ATOM 529 C ALA A 582 4.902 -5.374 -1.920 1.00 0.00 C ATOM 530 O ALA A 582 6.105 -5.525 -2.100 1.00 0.00 O ATOM 531 CB ALA A 582 3.671 -7.465 -2.531 1.00 0.00 C ATOM 0 H ALA A 582 1.968 -6.184 -1.282 1.00 0.00 H new ATOM 0 HA ALA A 582 4.607 -7.070 -0.657 1.00 0.00 H new ATOM 0 HB1 ALA A 582 4.581 -7.849 -2.992 1.00 0.00 H new ATOM 0 HB2 ALA A 582 3.087 -8.295 -2.133 1.00 0.00 H new ATOM 0 HB3 ALA A 582 3.083 -6.933 -3.278 1.00 0.00 H new ATOM 537 N LYS A 583 4.267 -4.238 -2.161 1.00 0.00 N ATOM 538 CA LYS A 583 4.960 -3.022 -2.552 1.00 0.00 C ATOM 539 C LYS A 583 5.765 -2.490 -1.374 1.00 0.00 C ATOM 540 O LYS A 583 6.974 -2.293 -1.474 1.00 0.00 O ATOM 541 CB LYS A 583 3.954 -1.977 -3.017 1.00 0.00 C ATOM 542 CG LYS A 583 4.613 -0.706 -3.491 1.00 0.00 C ATOM 543 CD LYS A 583 3.609 0.398 -3.729 1.00 0.00 C ATOM 544 CE LYS A 583 4.328 1.715 -3.890 1.00 0.00 C ATOM 545 NZ LYS A 583 5.101 1.784 -5.158 1.00 0.00 N ATOM 0 H LYS A 583 3.255 -4.134 -2.091 1.00 0.00 H new ATOM 0 HA LYS A 583 5.639 -3.244 -3.375 1.00 0.00 H new ATOM 0 HB2 LYS A 583 3.352 -2.392 -3.825 1.00 0.00 H new ATOM 0 HB3 LYS A 583 3.273 -1.745 -2.198 1.00 0.00 H new ATOM 0 HG2 LYS A 583 5.343 -0.379 -2.751 1.00 0.00 H new ATOM 0 HG3 LYS A 583 5.160 -0.903 -4.413 1.00 0.00 H new ATOM 0 HD2 LYS A 583 3.022 0.182 -4.622 1.00 0.00 H new ATOM 0 HD3 LYS A 583 2.911 0.454 -2.894 1.00 0.00 H new ATOM 0 HE2 LYS A 583 3.602 2.528 -3.865 1.00 0.00 H new ATOM 0 HE3 LYS A 583 5.003 1.864 -3.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 6.093 2.015 -4.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 5.055 0.865 -5.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 4.697 2.520 -5.771 1.00 0.00 H new ATOM 559 N LEU A 584 5.081 -2.279 -0.257 1.00 0.00 N ATOM 560 CA LEU A 584 5.715 -1.836 0.974 1.00 0.00 C ATOM 561 C LEU A 584 6.792 -2.835 1.385 1.00 0.00 C ATOM 562 O LEU A 584 7.908 -2.454 1.718 1.00 0.00 O ATOM 563 CB LEU A 584 4.640 -1.673 2.067 1.00 0.00 C ATOM 564 CG LEU A 584 5.101 -1.114 3.419 1.00 0.00 C ATOM 565 CD1 LEU A 584 5.659 -2.218 4.307 1.00 0.00 C ATOM 566 CD2 LEU A 584 6.134 -0.015 3.218 1.00 0.00 C ATOM 0 H LEU A 584 4.072 -2.410 -0.181 1.00 0.00 H new ATOM 0 HA LEU A 584 6.198 -0.870 0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 584 3.859 -1.020 1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 584 4.183 -2.647 2.241 1.00 0.00 H new ATOM 0 HG LEU A 584 4.233 -0.686 3.921 1.00 0.00 H new ATOM 0 HD11 LEU A 584 5.978 -1.793 5.259 1.00 0.00 H new ATOM 0 HD12 LEU A 584 4.887 -2.967 4.485 1.00 0.00 H new ATOM 0 HD13 LEU A 584 6.512 -2.685 3.814 1.00 0.00 H new ATOM 0 HD21 LEU A 584 6.449 0.370 4.188 1.00 0.00 H new ATOM 0 HD22 LEU A 584 6.997 -0.419 2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 584 5.696 0.793 2.632 1.00 0.00 H new ATOM 578 N GLU A 585 6.445 -4.113 1.332 1.00 0.00 N ATOM 579 CA GLU A 585 7.379 -5.196 1.622 1.00 0.00 C ATOM 580 C GLU A 585 8.626 -5.096 0.735 1.00 0.00 C ATOM 581 O GLU A 585 9.755 -5.209 1.215 1.00 0.00 O ATOM 582 CB GLU A 585 6.677 -6.536 1.393 1.00 0.00 C ATOM 583 CG GLU A 585 7.511 -7.750 1.765 1.00 0.00 C ATOM 584 CD GLU A 585 7.706 -7.893 3.263 1.00 0.00 C ATOM 585 OE1 GLU A 585 8.609 -7.236 3.827 1.00 0.00 O ATOM 586 OE2 GLU A 585 6.945 -8.659 3.887 1.00 0.00 O ATOM 0 H GLU A 585 5.507 -4.431 1.087 1.00 0.00 H new ATOM 0 HA GLU A 585 7.699 -5.119 2.661 1.00 0.00 H new ATOM 0 HB2 GLU A 585 5.754 -6.553 1.972 1.00 0.00 H new ATOM 0 HB3 GLU A 585 6.396 -6.611 0.343 1.00 0.00 H new ATOM 0 HG2 GLU A 585 7.029 -8.648 1.379 1.00 0.00 H new ATOM 0 HG3 GLU A 585 8.485 -7.678 1.282 1.00 0.00 H new ATOM 593 N ALA A 586 8.407 -4.853 -0.554 1.00 0.00 N ATOM 594 CA ALA A 586 9.498 -4.760 -1.520 1.00 0.00 C ATOM 595 C ALA A 586 10.383 -3.561 -1.220 1.00 0.00 C ATOM 596 O ALA A 586 11.607 -3.634 -1.312 1.00 0.00 O ATOM 597 CB ALA A 586 8.944 -4.665 -2.935 1.00 0.00 C ATOM 0 H ALA A 586 7.479 -4.716 -0.955 1.00 0.00 H new ATOM 0 HA ALA A 586 10.104 -5.662 -1.439 1.00 0.00 H new ATOM 0 HB1 ALA A 586 9.768 -4.596 -3.645 1.00 0.00 H new ATOM 0 HB2 ALA A 586 8.350 -5.553 -3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 586 8.316 -3.778 -3.021 1.00 0.00 H new ATOM 603 N LEU A 587 9.758 -2.459 -0.849 1.00 0.00 N ATOM 604 CA LEU A 587 10.485 -1.241 -0.537 1.00 0.00 C ATOM 605 C LEU A 587 11.205 -1.368 0.803 1.00 0.00 C ATOM 606 O LEU A 587 12.363 -0.981 0.931 1.00 0.00 O ATOM 607 CB LEU A 587 9.523 -0.055 -0.527 1.00 0.00 C ATOM 608 CG LEU A 587 8.796 0.181 -1.855 1.00 0.00 C ATOM 609 CD1 LEU A 587 7.677 1.192 -1.684 1.00 0.00 C ATOM 610 CD2 LEU A 587 9.772 0.646 -2.927 1.00 0.00 C ATOM 0 H LEU A 587 8.745 -2.382 -0.756 1.00 0.00 H new ATOM 0 HA LEU A 587 11.241 -1.074 -1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 587 8.781 -0.211 0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 587 10.078 0.846 -0.266 1.00 0.00 H new ATOM 0 HG LEU A 587 8.358 -0.765 -2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 587 7.175 1.344 -2.639 1.00 0.00 H new ATOM 0 HD12 LEU A 587 6.960 0.821 -0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 587 8.092 2.139 -1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 587 9.236 0.808 -3.862 1.00 0.00 H new ATOM 0 HD22 LEU A 587 10.242 1.578 -2.612 1.00 0.00 H new ATOM 0 HD23 LEU A 587 10.539 -0.114 -3.076 1.00 0.00 H new ATOM 622 N GLN A 588 10.528 -1.953 1.783 1.00 0.00 N ATOM 623 CA GLN A 588 11.087 -2.117 3.122 1.00 0.00 C ATOM 624 C GLN A 588 12.300 -3.033 3.109 1.00 0.00 C ATOM 625 O GLN A 588 13.192 -2.891 3.937 1.00 0.00 O ATOM 626 CB GLN A 588 10.034 -2.684 4.074 1.00 0.00 C ATOM 627 CG GLN A 588 9.049 -1.653 4.599 1.00 0.00 C ATOM 628 CD GLN A 588 9.592 -0.852 5.767 1.00 0.00 C ATOM 629 OE1 GLN A 588 9.208 0.296 5.978 1.00 0.00 O ATOM 630 NE2 GLN A 588 10.484 -1.453 6.537 1.00 0.00 N ATOM 0 H GLN A 588 9.584 -2.325 1.676 1.00 0.00 H new ATOM 0 HA GLN A 588 11.400 -1.132 3.468 1.00 0.00 H new ATOM 0 HB2 GLN A 588 9.481 -3.470 3.559 1.00 0.00 H new ATOM 0 HB3 GLN A 588 10.539 -3.151 4.920 1.00 0.00 H new ATOM 0 HG2 GLN A 588 8.781 -0.971 3.792 1.00 0.00 H new ATOM 0 HG3 GLN A 588 8.133 -2.158 4.907 1.00 0.00 H new ATOM 0 HE21 GLN A 588 10.777 -2.407 6.328 1.00 0.00 H new ATOM 0 HE22 GLN A 588 10.879 -0.962 7.339 1.00 0.00 H new ATOM 639 N THR A 589 12.330 -3.973 2.173 1.00 0.00 N ATOM 640 CA THR A 589 13.436 -4.914 2.089 1.00 0.00 C ATOM 641 C THR A 589 14.648 -4.255 1.423 1.00 0.00 C ATOM 642 O THR A 589 15.787 -4.658 1.645 1.00 0.00 O ATOM 643 CB THR A 589 13.019 -6.204 1.337 1.00 0.00 C ATOM 644 OG1 THR A 589 13.897 -7.284 1.675 1.00 0.00 O ATOM 645 CG2 THR A 589 13.033 -6.009 -0.172 1.00 0.00 C ATOM 0 H THR A 589 11.606 -4.103 1.466 1.00 0.00 H new ATOM 0 HA THR A 589 13.716 -5.202 3.102 1.00 0.00 H new ATOM 0 HB THR A 589 12.001 -6.440 1.646 1.00 0.00 H new ATOM 0 HG1 THR A 589 13.621 -8.092 1.194 1.00 0.00 H new ATOM 0 HG21 THR A 589 12.735 -6.936 -0.661 1.00 0.00 H new ATOM 0 HG22 THR A 589 12.337 -5.215 -0.443 1.00 0.00 H new ATOM 0 HG23 THR A 589 14.038 -5.735 -0.494 1.00 0.00 H new ATOM 653 N GLN A 590 14.395 -3.223 0.622 1.00 0.00 N ATOM 654 CA GLN A 590 15.471 -2.409 0.068 1.00 0.00 C ATOM 655 C GLN A 590 16.086 -1.598 1.191 1.00 0.00 C ATOM 656 O GLN A 590 17.296 -1.579 1.388 1.00 0.00 O ATOM 657 CB GLN A 590 14.934 -1.443 -0.990 1.00 0.00 C ATOM 658 CG GLN A 590 14.155 -2.101 -2.111 1.00 0.00 C ATOM 659 CD GLN A 590 15.009 -3.005 -2.975 1.00 0.00 C ATOM 660 OE1 GLN A 590 15.603 -2.560 -3.955 1.00 0.00 O ATOM 661 NE2 GLN A 590 15.056 -4.283 -2.637 1.00 0.00 N ATOM 0 H GLN A 590 13.458 -2.932 0.343 1.00 0.00 H new ATOM 0 HA GLN A 590 16.208 -3.065 -0.395 1.00 0.00 H new ATOM 0 HB2 GLN A 590 14.292 -0.710 -0.501 1.00 0.00 H new ATOM 0 HB3 GLN A 590 15.772 -0.895 -1.421 1.00 0.00 H new ATOM 0 HG2 GLN A 590 13.337 -2.682 -1.685 1.00 0.00 H new ATOM 0 HG3 GLN A 590 13.706 -1.329 -2.736 1.00 0.00 H new ATOM 0 HE21 GLN A 590 14.549 -4.612 -1.816 1.00 0.00 H new ATOM 0 HE22 GLN A 590 15.600 -4.939 -3.198 1.00 0.00 H new ATOM 670 N VAL A 591 15.199 -0.955 1.936 1.00 0.00 N ATOM 671 CA VAL A 591 15.558 -0.078 3.042 1.00 0.00 C ATOM 672 C VAL A 591 16.081 -0.889 4.234 1.00 0.00 C ATOM 673 O VAL A 591 16.681 -0.345 5.162 1.00 0.00 O ATOM 674 CB VAL A 591 14.312 0.745 3.444 1.00 0.00 C ATOM 675 CG1 VAL A 591 14.631 1.811 4.473 1.00 0.00 C ATOM 676 CG2 VAL A 591 13.692 1.376 2.207 1.00 0.00 C ATOM 0 H VAL A 591 14.193 -1.029 1.787 1.00 0.00 H new ATOM 0 HA VAL A 591 16.357 0.595 2.730 1.00 0.00 H new ATOM 0 HB VAL A 591 13.601 0.060 3.905 1.00 0.00 H new ATOM 0 HG11 VAL A 591 13.723 2.360 4.721 1.00 0.00 H new ATOM 0 HG12 VAL A 591 15.028 1.341 5.373 1.00 0.00 H new ATOM 0 HG13 VAL A 591 15.372 2.499 4.066 1.00 0.00 H new ATOM 0 HG21 VAL A 591 12.814 1.955 2.495 1.00 0.00 H new ATOM 0 HG22 VAL A 591 14.420 2.033 1.730 1.00 0.00 H new ATOM 0 HG23 VAL A 591 13.397 0.593 1.508 1.00 0.00 H new ATOM 686 N ALA A 592 15.853 -2.198 4.183 1.00 0.00 N ATOM 687 CA ALA A 592 16.321 -3.106 5.222 1.00 0.00 C ATOM 688 C ALA A 592 17.837 -3.221 5.189 1.00 0.00 C ATOM 689 O ALA A 592 18.488 -3.336 6.228 1.00 0.00 O ATOM 690 CB ALA A 592 15.683 -4.479 5.066 1.00 0.00 C ATOM 0 H ALA A 592 15.343 -2.655 3.427 1.00 0.00 H new ATOM 0 HA ALA A 592 16.025 -2.697 6.188 1.00 0.00 H new ATOM 0 HB1 ALA A 592 16.047 -5.141 5.852 1.00 0.00 H new ATOM 0 HB2 ALA A 592 14.599 -4.387 5.141 1.00 0.00 H new ATOM 0 HB3 ALA A 592 15.945 -4.894 4.093 1.00 0.00 H new ATOM 696 N ASP A 593 18.393 -3.187 3.987 1.00 0.00 N ATOM 697 CA ASP A 593 19.838 -3.245 3.815 1.00 0.00 C ATOM 698 C ASP A 593 20.465 -1.905 4.147 1.00 0.00 C ATOM 699 O ASP A 593 19.992 -0.855 3.715 1.00 0.00 O ATOM 700 CB ASP A 593 20.213 -3.628 2.381 1.00 0.00 C ATOM 701 CG ASP A 593 20.081 -5.111 2.100 1.00 0.00 C ATOM 702 OD1 ASP A 593 21.035 -5.867 2.397 1.00 0.00 O ATOM 703 OD2 ASP A 593 19.042 -5.525 1.555 1.00 0.00 O ATOM 0 H ASP A 593 17.866 -3.120 3.116 1.00 0.00 H new ATOM 0 HA ASP A 593 20.216 -4.008 4.495 1.00 0.00 H new ATOM 0 HB2 ASP A 593 19.578 -3.076 1.688 1.00 0.00 H new ATOM 0 HB3 ASP A 593 21.240 -3.319 2.187 1.00 0.00 H new ATOM 708 N ALA A 594 21.551 -1.953 4.906 1.00 0.00 N ATOM 709 CA ALA A 594 22.289 -0.753 5.269 1.00 0.00 C ATOM 710 C ALA A 594 22.950 -0.161 4.034 1.00 0.00 C ATOM 711 O ALA A 594 23.196 1.042 3.955 1.00 0.00 O ATOM 712 CB ALA A 594 23.334 -1.073 6.325 1.00 0.00 C ATOM 0 H ALA A 594 21.942 -2.816 5.284 1.00 0.00 H new ATOM 0 HA ALA A 594 21.594 -0.023 5.683 1.00 0.00 H new ATOM 0 HB1 ALA A 594 23.878 -0.165 6.586 1.00 0.00 H new ATOM 0 HB2 ALA A 594 22.843 -1.470 7.214 1.00 0.00 H new ATOM 0 HB3 ALA A 594 24.032 -1.814 5.934 1.00 0.00 H new ATOM 718 N SER A 595 23.215 -1.030 3.068 1.00 0.00 N ATOM 719 CA SER A 595 23.835 -0.640 1.812 1.00 0.00 C ATOM 720 C SER A 595 22.891 0.222 0.969 1.00 0.00 C ATOM 721 O SER A 595 23.317 0.871 0.011 1.00 0.00 O ATOM 722 CB SER A 595 24.230 -1.895 1.041 1.00 0.00 C ATOM 723 OG SER A 595 24.963 -2.789 1.866 1.00 0.00 O ATOM 0 H SER A 595 23.005 -2.026 3.135 1.00 0.00 H new ATOM 0 HA SER A 595 24.721 -0.043 2.029 1.00 0.00 H new ATOM 0 HB2 SER A 595 23.336 -2.392 0.665 1.00 0.00 H new ATOM 0 HB3 SER A 595 24.830 -1.620 0.174 1.00 0.00 H new ATOM 0 HG SER A 595 25.204 -3.587 1.351 1.00 0.00 H new ATOM 729 N PHE A 596 21.611 0.226 1.332 1.00 0.00 N ATOM 730 CA PHE A 596 20.617 1.033 0.637 1.00 0.00 C ATOM 731 C PHE A 596 20.935 2.516 0.762 1.00 0.00 C ATOM 732 O PHE A 596 20.973 3.238 -0.229 1.00 0.00 O ATOM 733 CB PHE A 596 19.216 0.748 1.190 1.00 0.00 C ATOM 734 CG PHE A 596 18.192 1.769 0.789 1.00 0.00 C ATOM 735 CD1 PHE A 596 17.724 1.831 -0.512 1.00 0.00 C ATOM 736 CD2 PHE A 596 17.706 2.673 1.718 1.00 0.00 C ATOM 737 CE1 PHE A 596 16.791 2.779 -0.877 1.00 0.00 C ATOM 738 CE2 PHE A 596 16.774 3.620 1.358 1.00 0.00 C ATOM 739 CZ PHE A 596 16.315 3.676 0.061 1.00 0.00 C ATOM 0 H PHE A 596 21.239 -0.323 2.107 1.00 0.00 H new ATOM 0 HA PHE A 596 20.643 0.764 -0.419 1.00 0.00 H new ATOM 0 HB2 PHE A 596 18.892 -0.234 0.846 1.00 0.00 H new ATOM 0 HB3 PHE A 596 19.266 0.704 2.278 1.00 0.00 H new ATOM 0 HD1 PHE A 596 18.092 1.131 -1.248 1.00 0.00 H new ATOM 0 HD2 PHE A 596 18.062 2.635 2.737 1.00 0.00 H new ATOM 0 HE1 PHE A 596 16.433 2.820 -1.895 1.00 0.00 H new ATOM 0 HE2 PHE A 596 16.403 4.319 2.093 1.00 0.00 H new ATOM 0 HZ PHE A 596 15.585 4.419 -0.223 1.00 0.00 H new ATOM 749 N PHE A 597 21.189 2.961 1.984 1.00 0.00 N ATOM 750 CA PHE A 597 21.452 4.370 2.243 1.00 0.00 C ATOM 751 C PHE A 597 22.841 4.770 1.750 1.00 0.00 C ATOM 752 O PHE A 597 23.238 5.928 1.860 1.00 0.00 O ATOM 753 CB PHE A 597 21.318 4.676 3.733 1.00 0.00 C ATOM 754 CG PHE A 597 19.951 4.391 4.288 1.00 0.00 C ATOM 755 CD1 PHE A 597 18.939 5.329 4.178 1.00 0.00 C ATOM 756 CD2 PHE A 597 19.680 3.188 4.920 1.00 0.00 C ATOM 757 CE1 PHE A 597 17.680 5.073 4.684 1.00 0.00 C ATOM 758 CE2 PHE A 597 18.423 2.926 5.428 1.00 0.00 C ATOM 759 CZ PHE A 597 17.422 3.871 5.312 1.00 0.00 C ATOM 0 H PHE A 597 21.219 2.367 2.813 1.00 0.00 H new ATOM 0 HA PHE A 597 20.712 4.953 1.695 1.00 0.00 H new ATOM 0 HB2 PHE A 597 22.053 4.089 4.283 1.00 0.00 H new ATOM 0 HB3 PHE A 597 21.557 5.726 3.902 1.00 0.00 H new ATOM 0 HD1 PHE A 597 19.136 6.272 3.691 1.00 0.00 H new ATOM 0 HD2 PHE A 597 20.460 2.447 5.016 1.00 0.00 H new ATOM 0 HE1 PHE A 597 16.898 5.812 4.589 1.00 0.00 H new ATOM 0 HE2 PHE A 597 18.223 1.983 5.915 1.00 0.00 H new ATOM 0 HZ PHE A 597 16.439 3.670 5.712 1.00 0.00 H new ATOM 769 N SER A 598 23.577 3.804 1.213 1.00 0.00 N ATOM 770 CA SER A 598 24.876 4.073 0.619 1.00 0.00 C ATOM 771 C SER A 598 24.689 4.502 -0.838 1.00 0.00 C ATOM 772 O SER A 598 25.645 4.846 -1.538 1.00 0.00 O ATOM 773 CB SER A 598 25.756 2.827 0.713 1.00 0.00 C ATOM 774 OG SER A 598 25.769 2.317 2.041 1.00 0.00 O ATOM 0 H SER A 598 23.293 2.825 1.178 1.00 0.00 H new ATOM 0 HA SER A 598 25.370 4.881 1.160 1.00 0.00 H new ATOM 0 HB2 SER A 598 25.387 2.063 0.029 1.00 0.00 H new ATOM 0 HB3 SER A 598 26.772 3.069 0.402 1.00 0.00 H new ATOM 0 HG SER A 598 26.336 1.519 2.079 1.00 0.00 H new ATOM 780 N GLN A 599 23.437 4.474 -1.281 1.00 0.00 N ATOM 781 CA GLN A 599 23.073 4.935 -2.613 1.00 0.00 C ATOM 782 C GLN A 599 22.864 6.445 -2.619 1.00 0.00 C ATOM 783 O GLN A 599 22.774 7.071 -1.559 1.00 0.00 O ATOM 784 CB GLN A 599 21.809 4.219 -3.097 1.00 0.00 C ATOM 785 CG GLN A 599 22.061 2.798 -3.568 1.00 0.00 C ATOM 786 CD GLN A 599 23.042 2.734 -4.719 1.00 0.00 C ATOM 787 OE1 GLN A 599 24.252 2.608 -4.520 1.00 0.00 O ATOM 788 NE2 GLN A 599 22.531 2.829 -5.935 1.00 0.00 N ATOM 0 H GLN A 599 22.650 4.133 -0.729 1.00 0.00 H new ATOM 0 HA GLN A 599 23.890 4.699 -3.295 1.00 0.00 H new ATOM 0 HB2 GLN A 599 21.079 4.201 -2.288 1.00 0.00 H new ATOM 0 HB3 GLN A 599 21.367 4.791 -3.913 1.00 0.00 H new ATOM 0 HG2 GLN A 599 22.442 2.205 -2.736 1.00 0.00 H new ATOM 0 HG3 GLN A 599 21.117 2.347 -3.874 1.00 0.00 H new ATOM 0 HE21 GLN A 599 21.524 2.932 -6.058 1.00 0.00 H new ATOM 0 HE22 GLN A 599 23.144 2.799 -6.750 1.00 0.00 H new ATOM 797 N PRO A 600 22.816 7.055 -3.812 1.00 0.00 N ATOM 798 CA PRO A 600 22.587 8.494 -3.965 1.00 0.00 C ATOM 799 C PRO A 600 21.197 8.919 -3.494 1.00 0.00 C ATOM 800 O PRO A 600 20.250 8.132 -3.523 1.00 0.00 O ATOM 801 CB PRO A 600 22.729 8.727 -5.478 1.00 0.00 C ATOM 802 CG PRO A 600 23.458 7.532 -5.986 1.00 0.00 C ATOM 803 CD PRO A 600 23.009 6.400 -5.114 1.00 0.00 C ATOM 0 HA PRO A 600 23.284 9.076 -3.363 1.00 0.00 H new ATOM 0 HB2 PRO A 600 21.754 8.827 -5.955 1.00 0.00 H new ATOM 0 HB3 PRO A 600 23.281 9.644 -5.686 1.00 0.00 H new ATOM 0 HG2 PRO A 600 23.221 7.341 -7.033 1.00 0.00 H new ATOM 0 HG3 PRO A 600 24.537 7.673 -5.924 1.00 0.00 H new ATOM 0 HD2 PRO A 600 22.088 5.947 -5.480 1.00 0.00 H new ATOM 0 HD3 PRO A 600 23.755 5.607 -5.062 1.00 0.00 H new ATOM 811 N HIS A 601 21.102 10.182 -3.079 1.00 0.00 N ATOM 812 CA HIS A 601 19.854 10.794 -2.606 1.00 0.00 C ATOM 813 C HIS A 601 18.721 10.549 -3.593 1.00 0.00 C ATOM 814 O HIS A 601 17.591 10.266 -3.203 1.00 0.00 O ATOM 815 CB HIS A 601 20.082 12.307 -2.435 1.00 0.00 C ATOM 816 CG HIS A 601 18.885 13.108 -1.995 1.00 0.00 C ATOM 817 ND1 HIS A 601 18.769 13.653 -0.736 1.00 0.00 N ATOM 818 CD2 HIS A 601 17.777 13.502 -2.673 1.00 0.00 C ATOM 819 CE1 HIS A 601 17.648 14.343 -0.656 1.00 0.00 C ATOM 820 NE2 HIS A 601 17.021 14.267 -1.816 1.00 0.00 N ATOM 0 H HIS A 601 21.898 10.820 -3.060 1.00 0.00 H new ATOM 0 HA HIS A 601 19.573 10.345 -1.653 1.00 0.00 H new ATOM 0 HB2 HIS A 601 20.881 12.454 -1.708 1.00 0.00 H new ATOM 0 HB3 HIS A 601 20.436 12.711 -3.384 1.00 0.00 H new ATOM 0 HD2 HIS A 601 17.534 13.259 -3.697 1.00 0.00 H new ATOM 0 HE1 HIS A 601 17.300 14.881 0.214 1.00 0.00 H new ATOM 0 HE2 HIS A 601 16.126 14.703 -2.039 1.00 0.00 H new ATOM 829 N GLU A 602 19.047 10.666 -4.871 1.00 0.00 N ATOM 830 CA GLU A 602 18.081 10.508 -5.948 1.00 0.00 C ATOM 831 C GLU A 602 17.451 9.115 -5.933 1.00 0.00 C ATOM 832 O GLU A 602 16.305 8.931 -6.344 1.00 0.00 O ATOM 833 CB GLU A 602 18.788 10.759 -7.273 1.00 0.00 C ATOM 834 CG GLU A 602 19.465 12.117 -7.339 1.00 0.00 C ATOM 835 CD GLU A 602 20.552 12.167 -8.386 1.00 0.00 C ATOM 836 OE1 GLU A 602 20.228 12.303 -9.581 1.00 0.00 O ATOM 837 OE2 GLU A 602 21.739 12.056 -8.020 1.00 0.00 O ATOM 0 H GLU A 602 19.993 10.874 -5.192 1.00 0.00 H new ATOM 0 HA GLU A 602 17.273 11.227 -5.812 1.00 0.00 H new ATOM 0 HB2 GLU A 602 19.533 9.980 -7.434 1.00 0.00 H new ATOM 0 HB3 GLU A 602 18.065 10.680 -8.085 1.00 0.00 H new ATOM 0 HG2 GLU A 602 18.719 12.882 -7.556 1.00 0.00 H new ATOM 0 HG3 GLU A 602 19.891 12.355 -6.365 1.00 0.00 H new ATOM 844 N GLN A 603 18.213 8.132 -5.471 1.00 0.00 N ATOM 845 CA GLN A 603 17.718 6.765 -5.359 1.00 0.00 C ATOM 846 C GLN A 603 16.986 6.581 -4.052 1.00 0.00 C ATOM 847 O GLN A 603 15.830 6.163 -4.013 1.00 0.00 O ATOM 848 CB GLN A 603 18.869 5.762 -5.389 1.00 0.00 C ATOM 849 CG GLN A 603 19.858 5.987 -6.508 1.00 0.00 C ATOM 850 CD GLN A 603 19.214 5.874 -7.878 1.00 0.00 C ATOM 851 OE1 GLN A 603 18.252 5.129 -8.063 1.00 0.00 O ATOM 852 NE2 GLN A 603 19.721 6.617 -8.847 1.00 0.00 N ATOM 0 H GLN A 603 19.179 8.256 -5.167 1.00 0.00 H new ATOM 0 HA GLN A 603 17.051 6.591 -6.203 1.00 0.00 H new ATOM 0 HB2 GLN A 603 19.398 5.805 -4.437 1.00 0.00 H new ATOM 0 HB3 GLN A 603 18.458 4.757 -5.480 1.00 0.00 H new ATOM 0 HG2 GLN A 603 20.307 6.975 -6.400 1.00 0.00 H new ATOM 0 HG3 GLN A 603 20.666 5.260 -6.428 1.00 0.00 H new ATOM 0 HE21 GLN A 603 20.519 7.224 -8.660 1.00 0.00 H new ATOM 0 HE22 GLN A 603 19.314 6.583 -9.782 1.00 0.00 H new ATOM 861 N THR A 604 17.687 6.910 -2.987 1.00 0.00 N ATOM 862 CA THR A 604 17.251 6.597 -1.651 1.00 0.00 C ATOM 863 C THR A 604 15.962 7.313 -1.287 1.00 0.00 C ATOM 864 O THR A 604 15.025 6.688 -0.800 1.00 0.00 O ATOM 865 CB THR A 604 18.355 6.936 -0.649 1.00 0.00 C ATOM 866 OG1 THR A 604 18.785 8.292 -0.833 1.00 0.00 O ATOM 867 CG2 THR A 604 19.536 5.995 -0.841 1.00 0.00 C ATOM 0 H THR A 604 18.578 7.404 -3.029 1.00 0.00 H new ATOM 0 HA THR A 604 17.044 5.528 -1.612 1.00 0.00 H new ATOM 0 HB THR A 604 17.962 6.819 0.361 1.00 0.00 H new ATOM 0 HG1 THR A 604 19.491 8.502 -0.187 1.00 0.00 H new ATOM 0 HG21 THR A 604 20.319 6.242 -0.124 1.00 0.00 H new ATOM 0 HG22 THR A 604 19.211 4.967 -0.683 1.00 0.00 H new ATOM 0 HG23 THR A 604 19.925 6.101 -1.854 1.00 0.00 H new ATOM 875 N GLN A 605 15.905 8.612 -1.545 1.00 0.00 N ATOM 876 CA GLN A 605 14.710 9.383 -1.244 1.00 0.00 C ATOM 877 C GLN A 605 13.549 8.922 -2.106 1.00 0.00 C ATOM 878 O GLN A 605 12.408 8.926 -1.666 1.00 0.00 O ATOM 879 CB GLN A 605 14.948 10.874 -1.445 1.00 0.00 C ATOM 880 CG GLN A 605 15.973 11.467 -0.499 1.00 0.00 C ATOM 881 CD GLN A 605 15.730 11.101 0.951 1.00 0.00 C ATOM 882 OE1 GLN A 605 16.280 10.123 1.456 1.00 0.00 O ATOM 883 NE2 GLN A 605 14.902 11.879 1.625 1.00 0.00 N ATOM 0 H GLN A 605 16.667 9.150 -1.959 1.00 0.00 H new ATOM 0 HA GLN A 605 14.463 9.216 -0.196 1.00 0.00 H new ATOM 0 HB2 GLN A 605 15.274 11.044 -2.471 1.00 0.00 H new ATOM 0 HB3 GLN A 605 14.003 11.403 -1.319 1.00 0.00 H new ATOM 0 HG2 GLN A 605 16.967 11.127 -0.791 1.00 0.00 H new ATOM 0 HG3 GLN A 605 15.965 12.552 -0.599 1.00 0.00 H new ATOM 0 HE21 GLN A 605 14.468 12.680 1.167 1.00 0.00 H new ATOM 0 HE22 GLN A 605 14.697 11.679 2.604 1.00 0.00 H new ATOM 892 N LYS A 606 13.851 8.511 -3.332 1.00 0.00 N ATOM 893 CA LYS A 606 12.845 7.959 -4.221 1.00 0.00 C ATOM 894 C LYS A 606 12.189 6.762 -3.551 1.00 0.00 C ATOM 895 O LYS A 606 10.964 6.653 -3.505 1.00 0.00 O ATOM 896 CB LYS A 606 13.503 7.555 -5.548 1.00 0.00 C ATOM 897 CG LYS A 606 12.543 7.097 -6.625 1.00 0.00 C ATOM 898 CD LYS A 606 12.165 5.636 -6.472 1.00 0.00 C ATOM 899 CE LYS A 606 11.360 5.157 -7.661 1.00 0.00 C ATOM 900 NZ LYS A 606 12.154 5.191 -8.916 1.00 0.00 N ATOM 0 H LYS A 606 14.789 8.551 -3.731 1.00 0.00 H new ATOM 0 HA LYS A 606 12.078 8.704 -4.431 1.00 0.00 H new ATOM 0 HB2 LYS A 606 14.072 8.404 -5.927 1.00 0.00 H new ATOM 0 HB3 LYS A 606 14.216 6.754 -5.353 1.00 0.00 H new ATOM 0 HG2 LYS A 606 11.642 7.709 -6.590 1.00 0.00 H new ATOM 0 HG3 LYS A 606 12.997 7.253 -7.604 1.00 0.00 H new ATOM 0 HD2 LYS A 606 13.067 5.032 -6.372 1.00 0.00 H new ATOM 0 HD3 LYS A 606 11.587 5.500 -5.558 1.00 0.00 H new ATOM 0 HE2 LYS A 606 11.012 4.140 -7.478 1.00 0.00 H new ATOM 0 HE3 LYS A 606 10.474 5.781 -7.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 11.717 4.562 -9.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 12.177 6.163 -9.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 13.124 4.872 -8.722 1.00 0.00 H new ATOM 914 N VAL A 607 13.022 5.885 -3.016 1.00 0.00 N ATOM 915 CA VAL A 607 12.556 4.678 -2.350 1.00 0.00 C ATOM 916 C VAL A 607 11.895 5.005 -1.013 1.00 0.00 C ATOM 917 O VAL A 607 10.802 4.535 -0.728 1.00 0.00 O ATOM 918 CB VAL A 607 13.715 3.684 -2.126 1.00 0.00 C ATOM 919 CG1 VAL A 607 13.223 2.429 -1.418 1.00 0.00 C ATOM 920 CG2 VAL A 607 14.372 3.324 -3.452 1.00 0.00 C ATOM 0 H VAL A 607 14.037 5.988 -3.030 1.00 0.00 H new ATOM 0 HA VAL A 607 11.816 4.215 -3.003 1.00 0.00 H new ATOM 0 HB VAL A 607 14.458 4.165 -1.490 1.00 0.00 H new ATOM 0 HG11 VAL A 607 14.057 1.743 -1.271 1.00 0.00 H new ATOM 0 HG12 VAL A 607 12.801 2.699 -0.450 1.00 0.00 H new ATOM 0 HG13 VAL A 607 12.458 1.945 -2.025 1.00 0.00 H new ATOM 0 HG21 VAL A 607 15.187 2.622 -3.275 1.00 0.00 H new ATOM 0 HG22 VAL A 607 13.635 2.865 -4.111 1.00 0.00 H new ATOM 0 HG23 VAL A 607 14.765 4.226 -3.920 1.00 0.00 H new ATOM 930 N LEU A 608 12.559 5.821 -0.204 1.00 0.00 N ATOM 931 CA LEU A 608 12.056 6.181 1.121 1.00 0.00 C ATOM 932 C LEU A 608 10.705 6.884 1.034 1.00 0.00 C ATOM 933 O LEU A 608 9.793 6.597 1.813 1.00 0.00 O ATOM 934 CB LEU A 608 13.065 7.081 1.845 1.00 0.00 C ATOM 935 CG LEU A 608 14.402 6.424 2.179 1.00 0.00 C ATOM 936 CD1 LEU A 608 15.338 7.428 2.831 1.00 0.00 C ATOM 937 CD2 LEU A 608 14.196 5.225 3.091 1.00 0.00 C ATOM 0 H LEU A 608 13.453 6.250 -0.442 1.00 0.00 H new ATOM 0 HA LEU A 608 11.922 5.259 1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 608 13.254 7.958 1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 608 12.612 7.436 2.771 1.00 0.00 H new ATOM 0 HG LEU A 608 14.855 6.077 1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 608 16.287 6.944 3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 608 15.512 8.260 2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 608 14.887 7.802 3.750 1.00 0.00 H new ATOM 0 HD21 LEU A 608 15.160 4.770 3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 608 13.721 5.549 4.017 1.00 0.00 H new ATOM 0 HD23 LEU A 608 13.558 4.494 2.593 1.00 0.00 H new ATOM 949 N ALA A 609 10.581 7.796 0.080 1.00 0.00 N ATOM 950 CA ALA A 609 9.346 8.538 -0.116 1.00 0.00 C ATOM 951 C ALA A 609 8.255 7.631 -0.678 1.00 0.00 C ATOM 952 O ALA A 609 7.081 7.756 -0.323 1.00 0.00 O ATOM 953 CB ALA A 609 9.596 9.724 -1.036 1.00 0.00 C ATOM 0 H ALA A 609 11.326 8.040 -0.573 1.00 0.00 H new ATOM 0 HA ALA A 609 9.002 8.912 0.848 1.00 0.00 H new ATOM 0 HB1 ALA A 609 8.667 10.276 -1.179 1.00 0.00 H new ATOM 0 HB2 ALA A 609 10.343 10.380 -0.589 1.00 0.00 H new ATOM 0 HB3 ALA A 609 9.958 9.367 -2.000 1.00 0.00 H new ATOM 959 N ASP A 610 8.652 6.707 -1.546 1.00 0.00 N ATOM 960 CA ASP A 610 7.713 5.759 -2.139 1.00 0.00 C ATOM 961 C ASP A 610 7.266 4.754 -1.082 1.00 0.00 C ATOM 962 O ASP A 610 6.106 4.350 -1.038 1.00 0.00 O ATOM 963 CB ASP A 610 8.366 5.039 -3.323 1.00 0.00 C ATOM 964 CG ASP A 610 7.359 4.422 -4.275 1.00 0.00 C ATOM 965 OD1 ASP A 610 6.889 5.133 -5.192 1.00 0.00 O ATOM 966 OD2 ASP A 610 7.051 3.226 -4.135 1.00 0.00 O ATOM 0 H ASP A 610 9.617 6.593 -1.855 1.00 0.00 H new ATOM 0 HA ASP A 610 6.840 6.298 -2.506 1.00 0.00 H new ATOM 0 HB2 ASP A 610 8.989 5.746 -3.871 1.00 0.00 H new ATOM 0 HB3 ASP A 610 9.026 4.258 -2.946 1.00 0.00 H new ATOM 971 N MET A 611 8.203 4.380 -0.216 1.00 0.00 N ATOM 972 CA MET A 611 7.928 3.478 0.897 1.00 0.00 C ATOM 973 C MET A 611 6.872 4.061 1.826 1.00 0.00 C ATOM 974 O MET A 611 5.931 3.370 2.222 1.00 0.00 O ATOM 975 CB MET A 611 9.219 3.184 1.673 1.00 0.00 C ATOM 976 CG MET A 611 8.995 2.420 2.964 1.00 0.00 C ATOM 977 SD MET A 611 10.539 1.981 3.784 1.00 0.00 S ATOM 978 CE MET A 611 11.136 3.592 4.277 1.00 0.00 C ATOM 0 H MET A 611 9.172 4.693 -0.266 1.00 0.00 H new ATOM 0 HA MET A 611 7.540 2.544 0.490 1.00 0.00 H new ATOM 0 HB2 MET A 611 9.893 2.612 1.035 1.00 0.00 H new ATOM 0 HB3 MET A 611 9.718 4.126 1.901 1.00 0.00 H new ATOM 0 HG2 MET A 611 8.388 3.024 3.639 1.00 0.00 H new ATOM 0 HG3 MET A 611 8.429 1.513 2.752 1.00 0.00 H new ATOM 0 HE1 MET A 611 11.784 3.489 5.147 1.00 0.00 H new ATOM 0 HE2 MET A 611 11.698 4.038 3.457 1.00 0.00 H new ATOM 0 HE3 MET A 611 10.290 4.232 4.528 1.00 0.00 H new ATOM 988 N ALA A 612 7.014 5.339 2.151 1.00 0.00 N ATOM 989 CA ALA A 612 6.070 6.006 3.034 1.00 0.00 C ATOM 990 C ALA A 612 4.703 6.116 2.378 1.00 0.00 C ATOM 991 O ALA A 612 3.670 6.028 3.045 1.00 0.00 O ATOM 992 CB ALA A 612 6.582 7.384 3.427 1.00 0.00 C ATOM 0 H ALA A 612 7.773 5.933 1.816 1.00 0.00 H new ATOM 0 HA ALA A 612 5.970 5.405 3.938 1.00 0.00 H new ATOM 0 HB1 ALA A 612 5.861 7.865 4.087 1.00 0.00 H new ATOM 0 HB2 ALA A 612 7.537 7.284 3.944 1.00 0.00 H new ATOM 0 HB3 ALA A 612 6.716 7.991 2.532 1.00 0.00 H new ATOM 998 N ALA A 613 4.706 6.291 1.065 1.00 0.00 N ATOM 999 CA ALA A 613 3.472 6.370 0.301 1.00 0.00 C ATOM 1000 C ALA A 613 2.795 5.007 0.223 1.00 0.00 C ATOM 1001 O ALA A 613 1.576 4.914 0.113 1.00 0.00 O ATOM 1002 CB ALA A 613 3.748 6.903 -1.096 1.00 0.00 C ATOM 0 H ALA A 613 5.554 6.381 0.505 1.00 0.00 H new ATOM 0 HA ALA A 613 2.798 7.058 0.812 1.00 0.00 H new ATOM 0 HB1 ALA A 613 2.814 6.956 -1.656 1.00 0.00 H new ATOM 0 HB2 ALA A 613 4.186 7.898 -1.026 1.00 0.00 H new ATOM 0 HB3 ALA A 613 4.441 6.237 -1.609 1.00 0.00 H new ATOM 1008 N ALA A 614 3.597 3.953 0.288 1.00 0.00 N ATOM 1009 CA ALA A 614 3.085 2.592 0.219 1.00 0.00 C ATOM 1010 C ALA A 614 2.379 2.205 1.509 1.00 0.00 C ATOM 1011 O ALA A 614 1.239 1.744 1.486 1.00 0.00 O ATOM 1012 CB ALA A 614 4.212 1.617 -0.080 1.00 0.00 C ATOM 0 H ALA A 614 4.610 4.016 0.389 1.00 0.00 H new ATOM 0 HA ALA A 614 2.357 2.547 -0.591 1.00 0.00 H new ATOM 0 HB1 ALA A 614 3.813 0.604 -0.128 1.00 0.00 H new ATOM 0 HB2 ALA A 614 4.670 1.873 -1.035 1.00 0.00 H new ATOM 0 HB3 ALA A 614 4.962 1.674 0.709 1.00 0.00 H new ATOM 1018 N GLU A 615 3.057 2.402 2.633 1.00 0.00 N ATOM 1019 CA GLU A 615 2.504 2.045 3.932 1.00 0.00 C ATOM 1020 C GLU A 615 1.208 2.798 4.219 1.00 0.00 C ATOM 1021 O GLU A 615 0.225 2.198 4.661 1.00 0.00 O ATOM 1022 CB GLU A 615 3.526 2.313 5.038 1.00 0.00 C ATOM 1023 CG GLU A 615 4.128 3.706 4.987 1.00 0.00 C ATOM 1024 CD GLU A 615 5.058 3.994 6.142 1.00 0.00 C ATOM 1025 OE1 GLU A 615 6.147 3.393 6.196 1.00 0.00 O ATOM 1026 OE2 GLU A 615 4.715 4.843 6.993 1.00 0.00 O ATOM 0 H GLU A 615 3.992 2.808 2.670 1.00 0.00 H new ATOM 0 HA GLU A 615 2.272 0.980 3.910 1.00 0.00 H new ATOM 0 HB2 GLU A 615 3.047 2.169 6.006 1.00 0.00 H new ATOM 0 HB3 GLU A 615 4.327 1.577 4.966 1.00 0.00 H new ATOM 0 HG2 GLU A 615 4.674 3.825 4.051 1.00 0.00 H new ATOM 0 HG3 GLU A 615 3.324 4.442 4.983 1.00 0.00 H new ATOM 1033 N GLN A 616 1.199 4.103 3.947 1.00 0.00 N ATOM 1034 CA GLN A 616 0.018 4.922 4.203 1.00 0.00 C ATOM 1035 C GLN A 616 -1.127 4.526 3.271 1.00 0.00 C ATOM 1036 O GLN A 616 -2.292 4.531 3.669 1.00 0.00 O ATOM 1037 CB GLN A 616 0.337 6.415 4.049 1.00 0.00 C ATOM 1038 CG GLN A 616 0.688 6.835 2.630 1.00 0.00 C ATOM 1039 CD GLN A 616 0.844 8.336 2.479 1.00 0.00 C ATOM 1040 OE1 GLN A 616 1.623 8.809 1.653 1.00 0.00 O ATOM 1041 NE2 GLN A 616 0.090 9.097 3.257 1.00 0.00 N ATOM 0 H GLN A 616 1.991 4.611 3.552 1.00 0.00 H new ATOM 0 HA GLN A 616 -0.293 4.744 5.232 1.00 0.00 H new ATOM 0 HB2 GLN A 616 -0.522 6.995 4.385 1.00 0.00 H new ATOM 0 HB3 GLN A 616 1.169 6.667 4.707 1.00 0.00 H new ATOM 0 HG2 GLN A 616 1.616 6.347 2.331 1.00 0.00 H new ATOM 0 HG3 GLN A 616 -0.089 6.486 1.951 1.00 0.00 H new ATOM 0 HE21 GLN A 616 -0.544 8.667 3.930 1.00 0.00 H new ATOM 0 HE22 GLN A 616 0.143 10.113 3.183 1.00 0.00 H new ATOM 1050 N GLU A 617 -0.782 4.172 2.037 1.00 0.00 N ATOM 1051 CA GLU A 617 -1.768 3.763 1.048 1.00 0.00 C ATOM 1052 C GLU A 617 -2.411 2.451 1.464 1.00 0.00 C ATOM 1053 O GLU A 617 -3.631 2.309 1.450 1.00 0.00 O ATOM 1054 CB GLU A 617 -1.102 3.587 -0.317 1.00 0.00 C ATOM 1055 CG GLU A 617 -2.080 3.405 -1.463 1.00 0.00 C ATOM 1056 CD GLU A 617 -2.506 4.716 -2.074 1.00 0.00 C ATOM 1057 OE1 GLU A 617 -3.447 5.345 -1.559 1.00 0.00 O ATOM 1058 OE2 GLU A 617 -1.884 5.134 -3.073 1.00 0.00 O ATOM 0 H GLU A 617 0.180 4.161 1.698 1.00 0.00 H new ATOM 0 HA GLU A 617 -2.533 4.537 0.981 1.00 0.00 H new ATOM 0 HB2 GLU A 617 -0.478 4.457 -0.520 1.00 0.00 H new ATOM 0 HB3 GLU A 617 -0.440 2.722 -0.278 1.00 0.00 H new ATOM 0 HG2 GLU A 617 -1.622 2.782 -2.231 1.00 0.00 H new ATOM 0 HG3 GLU A 617 -2.961 2.873 -1.104 1.00 0.00 H new ATOM 1065 N LEU A 618 -1.569 1.502 1.852 1.00 0.00 N ATOM 1066 CA LEU A 618 -2.017 0.171 2.221 1.00 0.00 C ATOM 1067 C LEU A 618 -3.069 0.219 3.321 1.00 0.00 C ATOM 1068 O LEU A 618 -4.124 -0.402 3.204 1.00 0.00 O ATOM 1069 CB LEU A 618 -0.825 -0.675 2.676 1.00 0.00 C ATOM 1070 CG LEU A 618 -1.166 -2.102 3.110 1.00 0.00 C ATOM 1071 CD1 LEU A 618 -1.829 -2.862 1.976 1.00 0.00 C ATOM 1072 CD2 LEU A 618 0.080 -2.832 3.572 1.00 0.00 C ATOM 0 H LEU A 618 -0.560 1.635 1.919 1.00 0.00 H new ATOM 0 HA LEU A 618 -2.473 -0.284 1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 618 -0.102 -0.723 1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 618 -0.336 -0.167 3.507 1.00 0.00 H new ATOM 0 HG LEU A 618 -1.865 -2.045 3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 618 -2.064 -3.874 2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 618 -2.748 -2.353 1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 618 -1.152 -2.905 1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 618 -0.184 -3.845 3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 618 0.801 -2.874 2.755 1.00 0.00 H new ATOM 0 HD23 LEU A 618 0.520 -2.302 4.417 1.00 0.00 H new ATOM 1084 N GLU A 619 -2.794 0.970 4.375 1.00 0.00 N ATOM 1085 CA GLU A 619 -3.692 1.009 5.516 1.00 0.00 C ATOM 1086 C GLU A 619 -4.971 1.792 5.216 1.00 0.00 C ATOM 1087 O GLU A 619 -6.052 1.368 5.617 1.00 0.00 O ATOM 1088 CB GLU A 619 -2.993 1.579 6.747 1.00 0.00 C ATOM 1089 CG GLU A 619 -2.318 2.914 6.511 1.00 0.00 C ATOM 1090 CD GLU A 619 -1.905 3.568 7.805 1.00 0.00 C ATOM 1091 OE1 GLU A 619 -0.827 3.228 8.333 1.00 0.00 O ATOM 1092 OE2 GLU A 619 -2.675 4.410 8.314 1.00 0.00 O ATOM 0 H GLU A 619 -1.964 1.556 4.464 1.00 0.00 H new ATOM 0 HA GLU A 619 -3.980 -0.021 5.726 1.00 0.00 H new ATOM 0 HB2 GLU A 619 -3.724 1.690 7.548 1.00 0.00 H new ATOM 0 HB3 GLU A 619 -2.247 0.863 7.093 1.00 0.00 H new ATOM 0 HG2 GLU A 619 -1.441 2.771 5.879 1.00 0.00 H new ATOM 0 HG3 GLU A 619 -2.996 3.574 5.970 1.00 0.00 H new ATOM 1099 N GLN A 620 -4.867 2.916 4.498 1.00 0.00 N ATOM 1100 CA GLN A 620 -6.056 3.709 4.184 1.00 0.00 C ATOM 1101 C GLN A 620 -6.962 2.951 3.230 1.00 0.00 C ATOM 1102 O GLN A 620 -8.187 3.087 3.272 1.00 0.00 O ATOM 1103 CB GLN A 620 -5.705 5.077 3.590 1.00 0.00 C ATOM 1104 CG GLN A 620 -4.957 5.022 2.271 1.00 0.00 C ATOM 1105 CD GLN A 620 -4.719 6.398 1.684 1.00 0.00 C ATOM 1106 OE1 GLN A 620 -5.535 6.909 0.913 1.00 0.00 O ATOM 1107 NE2 GLN A 620 -3.609 7.016 2.058 1.00 0.00 N ATOM 0 H GLN A 620 -3.991 3.289 4.131 1.00 0.00 H new ATOM 0 HA GLN A 620 -6.578 3.883 5.125 1.00 0.00 H new ATOM 0 HB2 GLN A 620 -6.626 5.643 3.447 1.00 0.00 H new ATOM 0 HB3 GLN A 620 -5.102 5.627 4.312 1.00 0.00 H new ATOM 0 HG2 GLN A 620 -3.999 4.523 2.420 1.00 0.00 H new ATOM 0 HG3 GLN A 620 -5.523 4.420 1.560 1.00 0.00 H new ATOM 0 HE21 GLN A 620 -2.961 6.557 2.698 1.00 0.00 H new ATOM 0 HE22 GLN A 620 -3.403 7.951 1.706 1.00 0.00 H new ATOM 1116 N ALA A 621 -6.359 2.151 2.368 1.00 0.00 N ATOM 1117 CA ALA A 621 -7.123 1.319 1.467 1.00 0.00 C ATOM 1118 C ALA A 621 -7.730 0.151 2.235 1.00 0.00 C ATOM 1119 O ALA A 621 -8.850 -0.272 1.959 1.00 0.00 O ATOM 1120 CB ALA A 621 -6.253 0.821 0.323 1.00 0.00 C ATOM 0 H ALA A 621 -5.347 2.063 2.276 1.00 0.00 H new ATOM 0 HA ALA A 621 -7.929 1.913 1.036 1.00 0.00 H new ATOM 0 HB1 ALA A 621 -6.849 0.197 -0.342 1.00 0.00 H new ATOM 0 HB2 ALA A 621 -5.861 1.672 -0.233 1.00 0.00 H new ATOM 0 HB3 ALA A 621 -5.425 0.236 0.724 1.00 0.00 H new ATOM 1126 N PHE A 622 -6.979 -0.349 3.213 1.00 0.00 N ATOM 1127 CA PHE A 622 -7.433 -1.445 4.061 1.00 0.00 C ATOM 1128 C PHE A 622 -8.667 -1.049 4.864 1.00 0.00 C ATOM 1129 O PHE A 622 -9.675 -1.752 4.854 1.00 0.00 O ATOM 1130 CB PHE A 622 -6.327 -1.870 5.023 1.00 0.00 C ATOM 1131 CG PHE A 622 -5.820 -3.264 4.802 1.00 0.00 C ATOM 1132 CD1 PHE A 622 -6.621 -4.358 5.084 1.00 0.00 C ATOM 1133 CD2 PHE A 622 -4.541 -3.479 4.318 1.00 0.00 C ATOM 1134 CE1 PHE A 622 -6.155 -5.642 4.883 1.00 0.00 C ATOM 1135 CE2 PHE A 622 -4.070 -4.761 4.117 1.00 0.00 C ATOM 1136 CZ PHE A 622 -4.878 -5.844 4.401 1.00 0.00 C ATOM 0 H PHE A 622 -6.045 -0.008 3.438 1.00 0.00 H new ATOM 0 HA PHE A 622 -7.691 -2.278 3.407 1.00 0.00 H new ATOM 0 HB2 PHE A 622 -5.494 -1.174 4.931 1.00 0.00 H new ATOM 0 HB3 PHE A 622 -6.699 -1.789 6.044 1.00 0.00 H new ATOM 0 HD1 PHE A 622 -7.620 -4.205 5.465 1.00 0.00 H new ATOM 0 HD2 PHE A 622 -3.905 -2.635 4.095 1.00 0.00 H new ATOM 0 HE1 PHE A 622 -6.790 -6.488 5.103 1.00 0.00 H new ATOM 0 HE2 PHE A 622 -3.071 -4.917 3.738 1.00 0.00 H new ATOM 0 HZ PHE A 622 -4.511 -6.848 4.246 1.00 0.00 H new ATOM 1146 N GLU A 623 -8.585 0.081 5.563 1.00 0.00 N ATOM 1147 CA GLU A 623 -9.701 0.548 6.380 1.00 0.00 C ATOM 1148 C GLU A 623 -10.906 0.899 5.507 1.00 0.00 C ATOM 1149 O GLU A 623 -12.052 0.726 5.924 1.00 0.00 O ATOM 1150 CB GLU A 623 -9.283 1.737 7.259 1.00 0.00 C ATOM 1151 CG GLU A 623 -8.560 2.843 6.511 1.00 0.00 C ATOM 1152 CD GLU A 623 -8.081 3.953 7.424 1.00 0.00 C ATOM 1153 OE1 GLU A 623 -6.979 3.826 8.003 1.00 0.00 O ATOM 1154 OE2 GLU A 623 -8.806 4.956 7.577 1.00 0.00 O ATOM 0 H GLU A 623 -7.764 0.686 5.580 1.00 0.00 H new ATOM 0 HA GLU A 623 -9.996 -0.264 7.044 1.00 0.00 H new ATOM 0 HB2 GLU A 623 -10.172 2.155 7.731 1.00 0.00 H new ATOM 0 HB3 GLU A 623 -8.638 1.373 8.059 1.00 0.00 H new ATOM 0 HG2 GLU A 623 -7.706 2.420 5.982 1.00 0.00 H new ATOM 0 HG3 GLU A 623 -9.227 3.261 5.757 1.00 0.00 H new ATOM 1161 N ARG A 624 -10.648 1.378 4.291 1.00 0.00 N ATOM 1162 CA ARG A 624 -11.714 1.576 3.315 1.00 0.00 C ATOM 1163 C ARG A 624 -12.328 0.230 2.950 1.00 0.00 C ATOM 1164 O ARG A 624 -13.546 0.090 2.906 1.00 0.00 O ATOM 1165 CB ARG A 624 -11.181 2.276 2.056 1.00 0.00 C ATOM 1166 CG ARG A 624 -12.145 2.280 0.878 1.00 0.00 C ATOM 1167 CD ARG A 624 -13.383 3.121 1.147 1.00 0.00 C ATOM 1168 NE ARG A 624 -13.071 4.538 1.326 1.00 0.00 N ATOM 1169 CZ ARG A 624 -13.628 5.523 0.616 1.00 0.00 C ATOM 1170 NH1 ARG A 624 -14.496 5.248 -0.353 1.00 0.00 N ATOM 1171 NH2 ARG A 624 -13.303 6.780 0.867 1.00 0.00 N ATOM 0 H ARG A 624 -9.717 1.634 3.962 1.00 0.00 H new ATOM 0 HA ARG A 624 -12.479 2.214 3.757 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -10.931 3.307 2.307 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -10.255 1.789 1.750 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -11.634 2.663 -0.005 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -12.446 1.256 0.654 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -14.082 3.008 0.318 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -13.885 2.747 2.040 1.00 0.00 H new ATOM 0 HE ARG A 624 -12.385 4.790 2.038 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -14.741 4.279 -0.559 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -14.917 6.006 -0.891 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -12.629 6.996 1.601 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -13.727 7.534 0.326 1.00 0.00 H new ATOM 1185 N TRP A 625 -11.471 -0.753 2.705 1.00 0.00 N ATOM 1186 CA TRP A 625 -11.909 -2.099 2.363 1.00 0.00 C ATOM 1187 C TRP A 625 -12.770 -2.698 3.474 1.00 0.00 C ATOM 1188 O TRP A 625 -13.843 -3.242 3.214 1.00 0.00 O ATOM 1189 CB TRP A 625 -10.703 -3.001 2.097 1.00 0.00 C ATOM 1190 CG TRP A 625 -11.076 -4.434 1.895 1.00 0.00 C ATOM 1191 CD1 TRP A 625 -11.636 -4.992 0.783 1.00 0.00 C ATOM 1192 CD2 TRP A 625 -10.923 -5.491 2.844 1.00 0.00 C ATOM 1193 NE1 TRP A 625 -11.850 -6.333 0.986 1.00 0.00 N ATOM 1194 CE2 TRP A 625 -11.415 -6.663 2.245 1.00 0.00 C ATOM 1195 CE3 TRP A 625 -10.412 -5.558 4.144 1.00 0.00 C ATOM 1196 CZ2 TRP A 625 -11.421 -7.888 2.906 1.00 0.00 C ATOM 1197 CZ3 TRP A 625 -10.415 -6.774 4.798 1.00 0.00 C ATOM 1198 CH2 TRP A 625 -10.913 -7.924 4.179 1.00 0.00 C ATOM 0 H TRP A 625 -10.458 -0.640 2.738 1.00 0.00 H new ATOM 0 HA TRP A 625 -12.513 -2.033 1.458 1.00 0.00 H new ATOM 0 HB2 TRP A 625 -10.175 -2.641 1.214 1.00 0.00 H new ATOM 0 HB3 TRP A 625 -10.010 -2.927 2.935 1.00 0.00 H new ATOM 0 HD1 TRP A 625 -11.876 -4.457 -0.124 1.00 0.00 H new ATOM 0 HE1 TRP A 625 -12.264 -6.977 0.312 1.00 0.00 H new ATOM 0 HE3 TRP A 625 -10.022 -4.675 4.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 625 -11.811 -8.777 2.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 625 -10.026 -6.838 5.804 1.00 0.00 H new ATOM 0 HH2 TRP A 625 -10.897 -8.861 4.715 1.00 0.00 H new ATOM 1209 N GLU A 626 -12.295 -2.598 4.710 1.00 0.00 N ATOM 1210 CA GLU A 626 -13.027 -3.128 5.854 1.00 0.00 C ATOM 1211 C GLU A 626 -14.367 -2.419 6.008 1.00 0.00 C ATOM 1212 O GLU A 626 -15.364 -3.037 6.375 1.00 0.00 O ATOM 1213 CB GLU A 626 -12.202 -3.000 7.132 1.00 0.00 C ATOM 1214 CG GLU A 626 -10.898 -3.772 7.082 1.00 0.00 C ATOM 1215 CD GLU A 626 -10.172 -3.753 8.405 1.00 0.00 C ATOM 1216 OE1 GLU A 626 -9.542 -2.726 8.727 1.00 0.00 O ATOM 1217 OE2 GLU A 626 -10.237 -4.761 9.139 1.00 0.00 O ATOM 0 H GLU A 626 -11.407 -2.155 4.945 1.00 0.00 H new ATOM 0 HA GLU A 626 -13.216 -4.187 5.676 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -11.986 -1.947 7.313 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -12.794 -3.354 7.976 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -11.100 -4.804 6.795 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -10.256 -3.347 6.311 1.00 0.00 H new ATOM 1224 N TYR A 627 -14.374 -1.120 5.720 1.00 0.00 N ATOM 1225 CA TYR A 627 -15.611 -0.348 5.665 1.00 0.00 C ATOM 1226 C TYR A 627 -16.543 -0.899 4.586 1.00 0.00 C ATOM 1227 O TYR A 627 -17.745 -1.020 4.806 1.00 0.00 O ATOM 1228 CB TYR A 627 -15.297 1.137 5.414 1.00 0.00 C ATOM 1229 CG TYR A 627 -16.360 1.889 4.631 1.00 0.00 C ATOM 1230 CD1 TYR A 627 -17.635 2.117 5.146 1.00 0.00 C ATOM 1231 CD2 TYR A 627 -16.076 2.365 3.361 1.00 0.00 C ATOM 1232 CE1 TYR A 627 -18.589 2.795 4.405 1.00 0.00 C ATOM 1233 CE2 TYR A 627 -17.020 3.041 2.620 1.00 0.00 C ATOM 1234 CZ TYR A 627 -18.274 3.256 3.145 1.00 0.00 C ATOM 1235 OH TYR A 627 -19.216 3.939 2.406 1.00 0.00 O ATOM 0 H TYR A 627 -13.533 -0.579 5.520 1.00 0.00 H new ATOM 0 HA TYR A 627 -16.121 -0.435 6.624 1.00 0.00 H new ATOM 0 HB2 TYR A 627 -15.156 1.632 6.375 1.00 0.00 H new ATOM 0 HB3 TYR A 627 -14.351 1.208 4.877 1.00 0.00 H new ATOM 0 HD1 TYR A 627 -17.882 1.761 6.135 1.00 0.00 H new ATOM 0 HD2 TYR A 627 -15.093 2.202 2.943 1.00 0.00 H new ATOM 0 HE1 TYR A 627 -19.575 2.962 4.813 1.00 0.00 H new ATOM 0 HE2 TYR A 627 -16.777 3.401 1.631 1.00 0.00 H new ATOM 0 HH TYR A 627 -18.831 4.195 1.542 1.00 0.00 H new ATOM 1245 N LEU A 628 -15.983 -1.239 3.430 1.00 0.00 N ATOM 1246 CA LEU A 628 -16.774 -1.784 2.332 1.00 0.00 C ATOM 1247 C LEU A 628 -17.407 -3.107 2.751 1.00 0.00 C ATOM 1248 O LEU A 628 -18.598 -3.334 2.540 1.00 0.00 O ATOM 1249 CB LEU A 628 -15.910 -1.986 1.079 1.00 0.00 C ATOM 1250 CG LEU A 628 -15.113 -0.762 0.609 1.00 0.00 C ATOM 1251 CD1 LEU A 628 -14.463 -1.030 -0.735 1.00 0.00 C ATOM 1252 CD2 LEU A 628 -15.985 0.478 0.532 1.00 0.00 C ATOM 0 H LEU A 628 -14.987 -1.147 3.229 1.00 0.00 H new ATOM 0 HA LEU A 628 -17.562 -1.070 2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -15.210 -2.799 1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -16.557 -2.309 0.263 1.00 0.00 H new ATOM 0 HG LEU A 628 -14.333 -0.577 1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -13.903 -0.150 -1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -13.786 -1.879 -0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -15.233 -1.254 -1.473 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -15.386 1.324 0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -16.799 0.307 -0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -16.397 0.695 1.517 1.00 0.00 H new ATOM 1264 N GLU A 629 -16.600 -3.971 3.356 1.00 0.00 N ATOM 1265 CA GLU A 629 -17.085 -5.236 3.897 1.00 0.00 C ATOM 1266 C GLU A 629 -18.153 -5.009 4.966 1.00 0.00 C ATOM 1267 O GLU A 629 -19.184 -5.682 4.983 1.00 0.00 O ATOM 1268 CB GLU A 629 -15.924 -6.036 4.492 1.00 0.00 C ATOM 1269 CG GLU A 629 -15.061 -6.742 3.459 1.00 0.00 C ATOM 1270 CD GLU A 629 -15.823 -7.808 2.704 1.00 0.00 C ATOM 1271 OE1 GLU A 629 -16.129 -8.859 3.304 1.00 0.00 O ATOM 1272 OE2 GLU A 629 -16.129 -7.599 1.516 1.00 0.00 O ATOM 0 H GLU A 629 -15.600 -3.817 3.485 1.00 0.00 H new ATOM 0 HA GLU A 629 -17.533 -5.799 3.078 1.00 0.00 H new ATOM 0 HB2 GLU A 629 -15.296 -5.364 5.076 1.00 0.00 H new ATOM 0 HB3 GLU A 629 -16.325 -6.778 5.183 1.00 0.00 H new ATOM 0 HG2 GLU A 629 -14.671 -6.009 2.753 1.00 0.00 H new ATOM 0 HG3 GLU A 629 -14.203 -7.195 3.955 1.00 0.00 H new ATOM 1279 N ALA A 630 -17.901 -4.054 5.852 1.00 0.00 N ATOM 1280 CA ALA A 630 -18.828 -3.749 6.936 1.00 0.00 C ATOM 1281 C ALA A 630 -20.140 -3.192 6.395 1.00 0.00 C ATOM 1282 O ALA A 630 -21.222 -3.570 6.850 1.00 0.00 O ATOM 1283 CB ALA A 630 -18.195 -2.758 7.900 1.00 0.00 C ATOM 0 H ALA A 630 -17.061 -3.476 5.842 1.00 0.00 H new ATOM 0 HA ALA A 630 -19.047 -4.675 7.468 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -18.895 -2.537 8.706 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -17.285 -3.188 8.318 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -17.951 -1.838 7.368 1.00 0.00 H new ATOM 1289 N LEU A 631 -20.035 -2.297 5.418 1.00 0.00 N ATOM 1290 CA LEU A 631 -21.204 -1.663 4.821 1.00 0.00 C ATOM 1291 C LEU A 631 -22.056 -2.693 4.100 1.00 0.00 C ATOM 1292 O LEU A 631 -23.283 -2.609 4.091 1.00 0.00 O ATOM 1293 CB LEU A 631 -20.784 -0.588 3.825 1.00 0.00 C ATOM 1294 CG LEU A 631 -21.871 0.427 3.493 1.00 0.00 C ATOM 1295 CD1 LEU A 631 -22.000 1.440 4.612 1.00 0.00 C ATOM 1296 CD2 LEU A 631 -21.572 1.116 2.182 1.00 0.00 C ATOM 0 H LEU A 631 -19.146 -1.993 5.021 1.00 0.00 H new ATOM 0 HA LEU A 631 -21.782 -1.207 5.625 1.00 0.00 H new ATOM 0 HB2 LEU A 631 -19.920 -0.058 4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 631 -20.462 -1.071 2.903 1.00 0.00 H new ATOM 0 HG LEU A 631 -22.820 -0.100 3.391 1.00 0.00 H new ATOM 0 HD11 LEU A 631 -22.780 2.160 4.363 1.00 0.00 H new ATOM 0 HD12 LEU A 631 -22.261 0.928 5.538 1.00 0.00 H new ATOM 0 HD13 LEU A 631 -21.052 1.962 4.741 1.00 0.00 H new ATOM 0 HD21 LEU A 631 -22.359 1.837 1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 631 -20.615 1.634 2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 631 -21.525 0.375 1.384 1.00 0.00 H new ATOM 1308 N LYS A 632 -21.387 -3.664 3.488 1.00 0.00 N ATOM 1309 CA LYS A 632 -22.062 -4.734 2.775 1.00 0.00 C ATOM 1310 C LYS A 632 -23.026 -5.462 3.704 1.00 0.00 C ATOM 1311 O LYS A 632 -24.111 -5.866 3.299 1.00 0.00 O ATOM 1312 CB LYS A 632 -21.039 -5.728 2.222 1.00 0.00 C ATOM 1313 CG LYS A 632 -21.629 -6.764 1.278 1.00 0.00 C ATOM 1314 CD LYS A 632 -20.648 -7.896 1.014 1.00 0.00 C ATOM 1315 CE LYS A 632 -19.287 -7.374 0.586 1.00 0.00 C ATOM 1316 NZ LYS A 632 -18.304 -8.471 0.408 1.00 0.00 N ATOM 0 H LYS A 632 -20.369 -3.729 3.474 1.00 0.00 H new ATOM 0 HA LYS A 632 -22.622 -4.297 1.948 1.00 0.00 H new ATOM 0 HB2 LYS A 632 -20.259 -5.176 1.697 1.00 0.00 H new ATOM 0 HB3 LYS A 632 -20.560 -6.242 3.055 1.00 0.00 H new ATOM 0 HG2 LYS A 632 -22.546 -7.168 1.706 1.00 0.00 H new ATOM 0 HG3 LYS A 632 -21.900 -6.288 0.336 1.00 0.00 H new ATOM 0 HD2 LYS A 632 -20.539 -8.500 1.915 1.00 0.00 H new ATOM 0 HD3 LYS A 632 -21.047 -8.550 0.238 1.00 0.00 H new ATOM 0 HE2 LYS A 632 -19.388 -6.822 -0.348 1.00 0.00 H new ATOM 0 HE3 LYS A 632 -18.916 -6.672 1.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 632 -17.341 -8.096 0.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 632 -18.474 -9.208 1.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 632 -18.408 -8.879 -0.543 1.00 0.00 H new