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 180:sc= 0 USER MOD Single : A 564 TYR OH : rot 180:sc= 0.0633 USER MOD Single : A 565 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 567 GLN : amide:sc= -1.33 K(o=-1.3,f=-2.4) USER MOD Single : A 572 GLN : amide:sc= 0.595 K(o=0.59,f=0) USER MOD Single : A 575 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.063) USER MOD Single : A 583 LYS NZ :NH3+ 168:sc= 0.863 (180deg=0.752) USER MOD Single : A 588 GLN : amide:sc= -0.2 K(o=-0.2,f=-3!) USER MOD Single : A 589 THR OG1 : rot 180:sc= 0 USER MOD Single : A 590 GLN : amide:sc= -1.01 K(o=-1,f=-5.7!) USER MOD Single : A 595 SER OG : rot 84:sc= 0.0381 USER MOD Single : A 598 SER OG : rot 180:sc= 0 USER MOD Single : A 599 GLN : amide:sc= -0.452 X(o=-0.45,f=-0.87) USER MOD Single : A 601 HIS : no HD1:sc= -2.86! C(o=-2.9!,f=-2.9!) USER MOD Single : A 603 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 604 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 605 GLN : amide:sc= -0.213 K(o=-0.21,f=-0.85) USER MOD Single : A 606 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0146) USER MOD Single : A 611 MET CE :methyl 155:sc= -1.18 (180deg=-2.14) USER MOD Single : A 616 GLN : amide:sc= 0 X(o=0,f=0) 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+ -145:sc= 1.2 (180deg=-0.607) USER MOD ----------------------------------------------------------------- ATOM 198 N SER A 563 -23.485 0.298 -2.852 1.00 0.00 N ATOM 199 CA SER A 563 -23.816 0.714 -4.201 1.00 0.00 C ATOM 200 C SER A 563 -22.767 0.194 -5.187 1.00 0.00 C ATOM 201 O SER A 563 -21.675 -0.202 -4.771 1.00 0.00 O ATOM 202 CB SER A 563 -23.904 2.240 -4.266 1.00 0.00 C ATOM 203 OG SER A 563 -24.556 2.671 -5.449 1.00 0.00 O ATOM 0 HA SER A 563 -24.784 0.295 -4.477 1.00 0.00 H new ATOM 0 HB2 SER A 563 -24.444 2.612 -3.395 1.00 0.00 H new ATOM 0 HB3 SER A 563 -22.901 2.666 -4.226 1.00 0.00 H new ATOM 0 HG SER A 563 -24.598 3.650 -5.461 1.00 0.00 H new ATOM 209 N TYR A 564 -23.083 0.188 -6.477 1.00 0.00 N ATOM 210 CA TYR A 564 -22.176 -0.358 -7.488 1.00 0.00 C ATOM 211 C TYR A 564 -20.786 0.276 -7.410 1.00 0.00 C ATOM 212 O TYR A 564 -19.771 -0.405 -7.582 1.00 0.00 O ATOM 213 CB TYR A 564 -22.742 -0.147 -8.885 1.00 0.00 C ATOM 214 CG TYR A 564 -21.924 -0.808 -9.970 1.00 0.00 C ATOM 215 CD1 TYR A 564 -22.054 -2.162 -10.223 1.00 0.00 C ATOM 216 CD2 TYR A 564 -21.020 -0.080 -10.736 1.00 0.00 C ATOM 217 CE1 TYR A 564 -21.316 -2.776 -11.208 1.00 0.00 C ATOM 218 CE2 TYR A 564 -20.275 -0.689 -11.725 1.00 0.00 C ATOM 219 CZ TYR A 564 -20.429 -2.037 -11.958 1.00 0.00 C ATOM 220 OH TYR A 564 -19.702 -2.655 -12.947 1.00 0.00 O ATOM 0 H TYR A 564 -23.959 0.554 -6.850 1.00 0.00 H new ATOM 0 HA TYR A 564 -22.081 -1.425 -7.285 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -23.760 -0.536 -8.919 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -22.803 0.922 -9.087 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -22.747 -2.747 -9.637 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -20.899 0.978 -10.554 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -21.432 -3.834 -11.392 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -19.576 -0.112 -12.312 1.00 0.00 H new ATOM 0 HH TYR A 564 -19.122 -1.998 -13.386 1.00 0.00 H new ATOM 230 N LYS A 565 -20.741 1.577 -7.151 1.00 0.00 N ATOM 231 CA LYS A 565 -19.469 2.280 -7.037 1.00 0.00 C ATOM 232 C LYS A 565 -18.585 1.685 -5.944 1.00 0.00 C ATOM 233 O LYS A 565 -17.362 1.706 -6.060 1.00 0.00 O ATOM 234 CB LYS A 565 -19.668 3.778 -6.810 1.00 0.00 C ATOM 235 CG LYS A 565 -20.883 4.130 -5.979 1.00 0.00 C ATOM 236 CD LYS A 565 -20.727 5.494 -5.348 1.00 0.00 C ATOM 237 CE LYS A 565 -20.574 6.580 -6.398 1.00 0.00 C ATOM 238 NZ LYS A 565 -20.394 7.923 -5.790 1.00 0.00 N ATOM 0 H LYS A 565 -21.565 2.164 -7.017 1.00 0.00 H new ATOM 0 HA LYS A 565 -18.956 2.149 -7.990 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -18.780 4.180 -6.321 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -19.750 4.272 -7.778 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -21.774 4.115 -6.606 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -21.027 3.379 -5.202 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -21.595 5.709 -4.725 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -19.856 5.495 -4.693 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -19.718 6.352 -7.033 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -21.454 6.589 -7.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -20.294 8.634 -6.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -21.222 8.153 -5.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -19.540 7.924 -5.197 1.00 0.00 H new ATOM 252 N LEU A 566 -19.198 1.131 -4.899 1.00 0.00 N ATOM 253 CA LEU A 566 -18.442 0.469 -3.843 1.00 0.00 C ATOM 254 C LEU A 566 -18.152 -0.958 -4.252 1.00 0.00 C ATOM 255 O LEU A 566 -17.150 -1.531 -3.848 1.00 0.00 O ATOM 256 CB LEU A 566 -19.181 0.456 -2.502 1.00 0.00 C ATOM 257 CG LEU A 566 -19.539 1.811 -1.908 1.00 0.00 C ATOM 258 CD1 LEU A 566 -20.746 2.390 -2.610 1.00 0.00 C ATOM 259 CD2 LEU A 566 -19.812 1.666 -0.429 1.00 0.00 C ATOM 0 H LEU A 566 -20.209 1.128 -4.763 1.00 0.00 H new ATOM 0 HA LEU A 566 -17.521 1.036 -3.708 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -20.101 -0.116 -2.625 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -18.566 -0.081 -1.780 1.00 0.00 H new ATOM 0 HG LEU A 566 -18.699 2.492 -2.048 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -20.990 3.359 -2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -20.526 2.514 -3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -21.594 1.715 -2.492 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -20.068 2.639 -0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -20.642 0.976 -0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -18.923 1.278 0.069 1.00 0.00 H new ATOM 271 N GLN A 567 -19.047 -1.527 -5.046 1.00 0.00 N ATOM 272 CA GLN A 567 -18.854 -2.863 -5.587 1.00 0.00 C ATOM 273 C GLN A 567 -17.506 -2.952 -6.282 1.00 0.00 C ATOM 274 O GLN A 567 -16.664 -3.774 -5.936 1.00 0.00 O ATOM 275 CB GLN A 567 -19.989 -3.215 -6.559 1.00 0.00 C ATOM 276 CG GLN A 567 -21.295 -3.573 -5.867 1.00 0.00 C ATOM 277 CD GLN A 567 -22.416 -3.850 -6.844 1.00 0.00 C ATOM 278 OE1 GLN A 567 -22.186 -4.324 -7.954 1.00 0.00 O ATOM 279 NE2 GLN A 567 -23.637 -3.548 -6.435 1.00 0.00 N ATOM 0 H GLN A 567 -19.919 -1.081 -5.331 1.00 0.00 H new ATOM 0 HA GLN A 567 -18.871 -3.582 -4.768 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -20.161 -2.370 -7.225 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -19.676 -4.053 -7.182 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -21.140 -4.451 -5.239 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -21.587 -2.757 -5.207 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -23.781 -3.156 -5.504 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -24.435 -3.707 -7.050 1.00 0.00 H new ATOM 288 N ARG A 568 -17.280 -2.053 -7.219 1.00 0.00 N ATOM 289 CA ARG A 568 -16.043 -2.048 -7.978 1.00 0.00 C ATOM 290 C ARG A 568 -14.899 -1.422 -7.188 1.00 0.00 C ATOM 291 O ARG A 568 -13.727 -1.653 -7.494 1.00 0.00 O ATOM 292 CB ARG A 568 -16.245 -1.354 -9.318 1.00 0.00 C ATOM 293 CG ARG A 568 -16.638 -2.318 -10.419 1.00 0.00 C ATOM 294 CD ARG A 568 -17.845 -3.157 -10.036 1.00 0.00 C ATOM 295 NE ARG A 568 -18.127 -4.175 -11.047 1.00 0.00 N ATOM 296 CZ ARG A 568 -18.447 -5.441 -10.779 1.00 0.00 C ATOM 297 NH1 ARG A 568 -18.535 -5.864 -9.526 1.00 0.00 N ATOM 298 NH2 ARG A 568 -18.686 -6.285 -11.771 1.00 0.00 N ATOM 0 H ARG A 568 -17.937 -1.315 -7.474 1.00 0.00 H new ATOM 0 HA ARG A 568 -15.761 -3.083 -8.171 1.00 0.00 H new ATOM 0 HB2 ARG A 568 -17.017 -0.591 -9.215 1.00 0.00 H new ATOM 0 HB3 ARG A 568 -15.325 -0.841 -9.600 1.00 0.00 H new ATOM 0 HG2 ARG A 568 -16.859 -1.759 -11.329 1.00 0.00 H new ATOM 0 HG3 ARG A 568 -15.797 -2.974 -10.644 1.00 0.00 H new ATOM 0 HD2 ARG A 568 -17.666 -3.637 -9.074 1.00 0.00 H new ATOM 0 HD3 ARG A 568 -18.715 -2.512 -9.914 1.00 0.00 H new ATOM 0 HE ARG A 568 -18.075 -3.897 -12.027 1.00 0.00 H new ATOM 0 HH11 ARG A 568 -18.357 -5.219 -8.756 1.00 0.00 H new ATOM 0 HH12 ARG A 568 -18.781 -6.835 -9.331 1.00 0.00 H new ATOM 0 HH21 ARG A 568 -18.625 -5.966 -12.738 1.00 0.00 H new ATOM 0 HH22 ARG A 568 -18.931 -7.254 -11.568 1.00 0.00 H new ATOM 312 N GLU A 569 -15.237 -0.635 -6.172 1.00 0.00 N ATOM 313 CA GLU A 569 -14.232 -0.073 -5.280 1.00 0.00 C ATOM 314 C GLU A 569 -13.659 -1.190 -4.410 1.00 0.00 C ATOM 315 O GLU A 569 -12.446 -1.331 -4.262 1.00 0.00 O ATOM 316 CB GLU A 569 -14.857 1.014 -4.392 1.00 0.00 C ATOM 317 CG GLU A 569 -13.850 1.826 -3.592 1.00 0.00 C ATOM 318 CD GLU A 569 -13.019 2.746 -4.463 1.00 0.00 C ATOM 319 OE1 GLU A 569 -11.957 2.314 -4.948 1.00 0.00 O ATOM 320 OE2 GLU A 569 -13.432 3.910 -4.664 1.00 0.00 O ATOM 0 H GLU A 569 -16.197 -0.373 -5.947 1.00 0.00 H new ATOM 0 HA GLU A 569 -13.435 0.379 -5.871 1.00 0.00 H new ATOM 0 HB2 GLU A 569 -15.435 1.692 -5.020 1.00 0.00 H new ATOM 0 HB3 GLU A 569 -15.557 0.544 -3.702 1.00 0.00 H new ATOM 0 HG2 GLU A 569 -14.378 2.418 -2.845 1.00 0.00 H new ATOM 0 HG3 GLU A 569 -13.189 1.148 -3.052 1.00 0.00 H new ATOM 327 N LEU A 570 -14.562 -2.002 -3.875 1.00 0.00 N ATOM 328 CA LEU A 570 -14.215 -3.085 -2.969 1.00 0.00 C ATOM 329 C LEU A 570 -13.567 -4.237 -3.721 1.00 0.00 C ATOM 330 O LEU A 570 -12.504 -4.693 -3.347 1.00 0.00 O ATOM 331 CB LEU A 570 -15.484 -3.577 -2.253 1.00 0.00 C ATOM 332 CG LEU A 570 -15.284 -4.397 -0.969 1.00 0.00 C ATOM 333 CD1 LEU A 570 -16.611 -4.560 -0.252 1.00 0.00 C ATOM 334 CD2 LEU A 570 -14.700 -5.770 -1.265 1.00 0.00 C ATOM 0 H LEU A 570 -15.562 -1.925 -4.060 1.00 0.00 H new ATOM 0 HA LEU A 570 -13.499 -2.712 -2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -16.094 -2.708 -2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -16.057 -4.182 -2.956 1.00 0.00 H new ATOM 0 HG LEU A 570 -14.580 -3.857 -0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 570 -16.464 -5.142 0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -17.008 -3.578 0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 570 -17.316 -5.077 -0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 570 -14.573 -6.320 -0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 570 -15.375 -6.319 -1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 570 -13.732 -5.656 -1.754 1.00 0.00 H new ATOM 346 N GLU A 571 -14.208 -4.693 -4.788 1.00 0.00 N ATOM 347 CA GLU A 571 -13.809 -5.928 -5.465 1.00 0.00 C ATOM 348 C GLU A 571 -12.432 -5.849 -6.127 1.00 0.00 C ATOM 349 O GLU A 571 -11.853 -6.879 -6.475 1.00 0.00 O ATOM 350 CB GLU A 571 -14.894 -6.344 -6.462 1.00 0.00 C ATOM 351 CG GLU A 571 -16.176 -6.788 -5.764 1.00 0.00 C ATOM 352 CD GLU A 571 -17.313 -7.100 -6.714 1.00 0.00 C ATOM 353 OE1 GLU A 571 -17.332 -8.212 -7.285 1.00 0.00 O ATOM 354 OE2 GLU A 571 -18.210 -6.247 -6.874 1.00 0.00 O ATOM 0 H GLU A 571 -15.012 -4.226 -5.209 1.00 0.00 H new ATOM 0 HA GLU A 571 -13.709 -6.697 -4.699 1.00 0.00 H new ATOM 0 HB2 GLU A 571 -15.114 -5.509 -7.127 1.00 0.00 H new ATOM 0 HB3 GLU A 571 -14.521 -7.157 -7.085 1.00 0.00 H new ATOM 0 HG2 GLU A 571 -15.964 -7.672 -5.163 1.00 0.00 H new ATOM 0 HG3 GLU A 571 -16.494 -6.004 -5.076 1.00 0.00 H new ATOM 361 N GLN A 572 -11.908 -4.647 -6.307 1.00 0.00 N ATOM 362 CA GLN A 572 -10.557 -4.483 -6.840 1.00 0.00 C ATOM 363 C GLN A 572 -9.544 -4.294 -5.715 1.00 0.00 C ATOM 364 O GLN A 572 -8.353 -4.570 -5.861 1.00 0.00 O ATOM 365 CB GLN A 572 -10.496 -3.270 -7.761 1.00 0.00 C ATOM 366 CG GLN A 572 -11.244 -3.440 -9.073 1.00 0.00 C ATOM 367 CD GLN A 572 -11.075 -2.242 -9.986 1.00 0.00 C ATOM 368 OE1 GLN A 572 -10.166 -2.202 -10.821 1.00 0.00 O ATOM 369 NE2 GLN A 572 -11.932 -1.249 -9.826 1.00 0.00 N ATOM 0 H GLN A 572 -12.390 -3.774 -6.095 1.00 0.00 H new ATOM 0 HA GLN A 572 -10.310 -5.387 -7.397 1.00 0.00 H new ATOM 0 HB2 GLN A 572 -10.904 -2.408 -7.233 1.00 0.00 H new ATOM 0 HB3 GLN A 572 -9.452 -3.046 -7.979 1.00 0.00 H new ATOM 0 HG2 GLN A 572 -10.885 -4.335 -9.581 1.00 0.00 H new ATOM 0 HG3 GLN A 572 -12.304 -3.592 -8.868 1.00 0.00 H new ATOM 0 HE21 GLN A 572 -12.670 -1.320 -9.125 1.00 0.00 H new ATOM 0 HE22 GLN A 572 -11.856 -0.412 -10.403 1.00 0.00 H new ATOM 378 N LEU A 573 -10.057 -3.825 -4.600 1.00 0.00 N ATOM 379 CA LEU A 573 -9.256 -3.383 -3.462 1.00 0.00 C ATOM 380 C LEU A 573 -8.386 -4.505 -2.841 1.00 0.00 C ATOM 381 O LEU A 573 -7.237 -4.244 -2.516 1.00 0.00 O ATOM 382 CB LEU A 573 -10.211 -2.778 -2.423 1.00 0.00 C ATOM 383 CG LEU A 573 -9.668 -1.614 -1.595 1.00 0.00 C ATOM 384 CD1 LEU A 573 -10.774 -1.014 -0.747 1.00 0.00 C ATOM 385 CD2 LEU A 573 -8.515 -2.051 -0.720 1.00 0.00 C ATOM 0 H LEU A 573 -11.062 -3.735 -4.448 1.00 0.00 H new ATOM 0 HA LEU A 573 -8.540 -2.639 -3.812 1.00 0.00 H new ATOM 0 HB2 LEU A 573 -11.108 -2.439 -2.941 1.00 0.00 H new ATOM 0 HB3 LEU A 573 -10.517 -3.570 -1.739 1.00 0.00 H new ATOM 0 HG LEU A 573 -9.296 -0.856 -2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 573 -10.375 -0.186 -0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 573 -11.572 -0.650 -1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 573 -11.171 -1.775 -0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 573 -8.152 -1.200 -0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 573 -8.851 -2.833 -0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 573 -7.709 -2.436 -1.345 1.00 0.00 H new ATOM 397 N PRO A 574 -8.877 -5.756 -2.652 1.00 0.00 N ATOM 398 CA PRO A 574 -8.059 -6.823 -2.051 1.00 0.00 C ATOM 399 C PRO A 574 -6.819 -7.131 -2.887 1.00 0.00 C ATOM 400 O PRO A 574 -5.733 -7.345 -2.347 1.00 0.00 O ATOM 401 CB PRO A 574 -8.996 -8.033 -2.004 1.00 0.00 C ATOM 402 CG PRO A 574 -10.364 -7.465 -2.127 1.00 0.00 C ATOM 403 CD PRO A 574 -10.219 -6.246 -2.987 1.00 0.00 C ATOM 0 HA PRO A 574 -7.682 -6.539 -1.069 1.00 0.00 H new ATOM 0 HB2 PRO A 574 -8.783 -8.729 -2.816 1.00 0.00 H new ATOM 0 HB3 PRO A 574 -8.880 -8.586 -1.072 1.00 0.00 H new ATOM 0 HG2 PRO A 574 -11.048 -8.184 -2.578 1.00 0.00 H new ATOM 0 HG3 PRO A 574 -10.771 -7.208 -1.149 1.00 0.00 H new ATOM 0 HD2 PRO A 574 -10.306 -6.488 -4.046 1.00 0.00 H new ATOM 0 HD3 PRO A 574 -10.986 -5.503 -2.765 1.00 0.00 H new ATOM 411 N GLN A 575 -6.990 -7.131 -4.208 1.00 0.00 N ATOM 412 CA GLN A 575 -5.871 -7.293 -5.130 1.00 0.00 C ATOM 413 C GLN A 575 -4.874 -6.159 -4.944 1.00 0.00 C ATOM 414 O GLN A 575 -3.668 -6.331 -5.113 1.00 0.00 O ATOM 415 CB GLN A 575 -6.363 -7.301 -6.579 1.00 0.00 C ATOM 416 CG GLN A 575 -7.139 -8.549 -6.977 1.00 0.00 C ATOM 417 CD GLN A 575 -6.271 -9.792 -7.002 1.00 0.00 C ATOM 418 OE1 GLN A 575 -5.641 -10.097 -8.013 1.00 0.00 O ATOM 419 NE2 GLN A 575 -6.254 -10.530 -5.907 1.00 0.00 N ATOM 0 H GLN A 575 -7.896 -7.020 -4.663 1.00 0.00 H new ATOM 0 HA GLN A 575 -5.386 -8.245 -4.914 1.00 0.00 H new ATOM 0 HB2 GLN A 575 -6.997 -6.429 -6.739 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -5.504 -7.197 -7.241 1.00 0.00 H new ATOM 0 HG2 GLN A 575 -7.962 -8.699 -6.278 1.00 0.00 H new ATOM 0 HG3 GLN A 575 -7.581 -8.399 -7.962 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -6.791 -10.242 -5.089 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -5.704 -11.388 -5.879 1.00 0.00 H new ATOM 428 N LEU A 576 -5.400 -5.000 -4.588 1.00 0.00 N ATOM 429 CA LEU A 576 -4.591 -3.819 -4.362 1.00 0.00 C ATOM 430 C LEU A 576 -3.903 -3.877 -2.995 1.00 0.00 C ATOM 431 O LEU A 576 -2.777 -3.413 -2.840 1.00 0.00 O ATOM 432 CB LEU A 576 -5.467 -2.577 -4.478 1.00 0.00 C ATOM 433 CG LEU A 576 -4.806 -1.280 -4.046 1.00 0.00 C ATOM 434 CD1 LEU A 576 -3.752 -0.852 -5.058 1.00 0.00 C ATOM 435 CD2 LEU A 576 -5.845 -0.186 -3.843 1.00 0.00 C ATOM 0 H LEU A 576 -6.400 -4.853 -4.448 1.00 0.00 H new ATOM 0 HA LEU A 576 -3.808 -3.776 -5.119 1.00 0.00 H new ATOM 0 HB2 LEU A 576 -5.790 -2.475 -5.514 1.00 0.00 H new ATOM 0 HB3 LEU A 576 -6.364 -2.727 -3.878 1.00 0.00 H new ATOM 0 HG LEU A 576 -4.308 -1.450 -3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 576 -3.290 0.079 -4.730 1.00 0.00 H new ATOM 0 HD12 LEU A 576 -2.989 -1.627 -5.139 1.00 0.00 H new ATOM 0 HD13 LEU A 576 -4.221 -0.702 -6.030 1.00 0.00 H new ATOM 0 HD21 LEU A 576 -5.349 0.734 -3.534 1.00 0.00 H new ATOM 0 HD22 LEU A 576 -6.379 -0.014 -4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 576 -6.552 -0.494 -3.072 1.00 0.00 H new ATOM 447 N LEU A 577 -4.583 -4.446 -2.005 1.00 0.00 N ATOM 448 CA LEU A 577 -3.983 -4.662 -0.694 1.00 0.00 C ATOM 449 C LEU A 577 -2.749 -5.523 -0.802 1.00 0.00 C ATOM 450 O LEU A 577 -1.686 -5.151 -0.319 1.00 0.00 O ATOM 451 CB LEU A 577 -4.973 -5.297 0.288 1.00 0.00 C ATOM 452 CG LEU A 577 -5.768 -4.322 1.165 1.00 0.00 C ATOM 453 CD1 LEU A 577 -5.519 -2.870 0.768 1.00 0.00 C ATOM 454 CD2 LEU A 577 -7.254 -4.649 1.131 1.00 0.00 C ATOM 0 H LEU A 577 -5.548 -4.765 -2.086 1.00 0.00 H new ATOM 0 HA LEU A 577 -3.702 -3.682 -0.308 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.679 -5.903 -0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -4.423 -5.976 0.940 1.00 0.00 H new ATOM 0 HG LEU A 577 -5.415 -4.443 2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -6.101 -2.212 1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -4.459 -2.640 0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -5.819 -2.720 -0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -7.796 -3.944 1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -7.619 -4.576 0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -7.412 -5.662 1.501 1.00 0.00 H new ATOM 466 N GLU A 578 -2.874 -6.664 -1.453 1.00 0.00 N ATOM 467 CA GLU A 578 -1.729 -7.536 -1.623 1.00 0.00 C ATOM 468 C GLU A 578 -0.701 -6.888 -2.546 1.00 0.00 C ATOM 469 O GLU A 578 0.490 -7.186 -2.466 1.00 0.00 O ATOM 470 CB GLU A 578 -2.144 -8.913 -2.142 1.00 0.00 C ATOM 471 CG GLU A 578 -2.910 -8.887 -3.451 1.00 0.00 C ATOM 472 CD GLU A 578 -3.282 -10.275 -3.914 1.00 0.00 C ATOM 473 OE1 GLU A 578 -4.220 -10.863 -3.341 1.00 0.00 O ATOM 474 OE2 GLU A 578 -2.626 -10.798 -4.839 1.00 0.00 O ATOM 0 H GLU A 578 -3.742 -7.004 -1.867 1.00 0.00 H new ATOM 0 HA GLU A 578 -1.271 -7.685 -0.645 1.00 0.00 H new ATOM 0 HB2 GLU A 578 -1.250 -9.523 -2.271 1.00 0.00 H new ATOM 0 HB3 GLU A 578 -2.758 -9.402 -1.386 1.00 0.00 H new ATOM 0 HG2 GLU A 578 -3.814 -8.290 -3.331 1.00 0.00 H new ATOM 0 HG3 GLU A 578 -2.305 -8.399 -4.216 1.00 0.00 H new ATOM 481 N ASP A 579 -1.164 -5.986 -3.412 1.00 0.00 N ATOM 482 CA ASP A 579 -0.267 -5.236 -4.286 1.00 0.00 C ATOM 483 C ASP A 579 0.633 -4.352 -3.450 1.00 0.00 C ATOM 484 O ASP A 579 1.850 -4.438 -3.520 1.00 0.00 O ATOM 485 CB ASP A 579 -1.038 -4.332 -5.246 1.00 0.00 C ATOM 486 CG ASP A 579 -0.274 -4.083 -6.529 1.00 0.00 C ATOM 487 OD1 ASP A 579 0.519 -3.120 -6.577 1.00 0.00 O ATOM 488 OD2 ASP A 579 -0.446 -4.860 -7.490 1.00 0.00 O ATOM 0 H ASP A 579 -2.152 -5.759 -3.525 1.00 0.00 H new ATOM 0 HA ASP A 579 0.309 -5.963 -4.859 1.00 0.00 H new ATOM 0 HB2 ASP A 579 -2.000 -4.788 -5.480 1.00 0.00 H new ATOM 0 HB3 ASP A 579 -1.247 -3.380 -4.758 1.00 0.00 H new ATOM 493 N LEU A 580 0.000 -3.511 -2.646 1.00 0.00 N ATOM 494 CA LEU A 580 0.699 -2.539 -1.822 1.00 0.00 C ATOM 495 C LEU A 580 1.464 -3.220 -0.703 1.00 0.00 C ATOM 496 O LEU A 580 2.504 -2.734 -0.271 1.00 0.00 O ATOM 497 CB LEU A 580 -0.300 -1.549 -1.237 1.00 0.00 C ATOM 498 CG LEU A 580 -1.174 -0.844 -2.268 1.00 0.00 C ATOM 499 CD1 LEU A 580 -2.259 -0.042 -1.578 1.00 0.00 C ATOM 500 CD2 LEU A 580 -0.321 0.044 -3.164 1.00 0.00 C ATOM 0 H LEU A 580 -1.015 -3.484 -2.547 1.00 0.00 H new ATOM 0 HA LEU A 580 1.415 -2.009 -2.450 1.00 0.00 H new ATOM 0 HB2 LEU A 580 -0.944 -2.076 -0.534 1.00 0.00 H new ATOM 0 HB3 LEU A 580 0.245 -0.797 -0.667 1.00 0.00 H new ATOM 0 HG LEU A 580 -1.656 -1.594 -2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 580 -2.875 0.456 -2.327 1.00 0.00 H new ATOM 0 HD12 LEU A 580 -2.881 -0.709 -0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 580 -1.802 0.705 -0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 580 -0.958 0.541 -3.896 1.00 0.00 H new ATOM 0 HD22 LEU A 580 0.187 0.793 -2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 580 0.419 -0.566 -3.682 1.00 0.00 H new ATOM 512 N GLU A 581 0.941 -4.339 -0.232 1.00 0.00 N ATOM 513 CA GLU A 581 1.604 -5.120 0.797 1.00 0.00 C ATOM 514 C GLU A 581 2.908 -5.684 0.260 1.00 0.00 C ATOM 515 O GLU A 581 3.964 -5.539 0.873 1.00 0.00 O ATOM 516 CB GLU A 581 0.708 -6.261 1.256 1.00 0.00 C ATOM 517 CG GLU A 581 1.247 -6.977 2.474 1.00 0.00 C ATOM 518 CD GLU A 581 0.461 -8.220 2.830 1.00 0.00 C ATOM 519 OE1 GLU A 581 0.099 -8.988 1.915 1.00 0.00 O ATOM 520 OE2 GLU A 581 0.232 -8.453 4.033 1.00 0.00 O ATOM 0 H GLU A 581 0.053 -4.729 -0.549 1.00 0.00 H new ATOM 0 HA GLU A 581 1.813 -4.469 1.646 1.00 0.00 H new ATOM 0 HB2 GLU A 581 -0.284 -5.870 1.480 1.00 0.00 H new ATOM 0 HB3 GLU A 581 0.592 -6.976 0.442 1.00 0.00 H new ATOM 0 HG2 GLU A 581 2.287 -7.251 2.296 1.00 0.00 H new ATOM 0 HG3 GLU A 581 1.238 -6.294 3.323 1.00 0.00 H new ATOM 527 N ALA A 582 2.822 -6.323 -0.896 1.00 0.00 N ATOM 528 CA ALA A 582 3.997 -6.860 -1.569 1.00 0.00 C ATOM 529 C ALA A 582 4.901 -5.731 -2.055 1.00 0.00 C ATOM 530 O ALA A 582 6.115 -5.899 -2.164 1.00 0.00 O ATOM 531 CB ALA A 582 3.583 -7.745 -2.734 1.00 0.00 C ATOM 0 H ALA A 582 1.945 -6.484 -1.391 1.00 0.00 H new ATOM 0 HA ALA A 582 4.555 -7.464 -0.854 1.00 0.00 H new ATOM 0 HB1 ALA A 582 4.472 -8.138 -3.226 1.00 0.00 H new ATOM 0 HB2 ALA A 582 2.977 -8.572 -2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 582 3.003 -7.160 -3.447 1.00 0.00 H new ATOM 537 N LYS A 583 4.300 -4.582 -2.333 1.00 0.00 N ATOM 538 CA LYS A 583 5.045 -3.409 -2.761 1.00 0.00 C ATOM 539 C LYS A 583 5.882 -2.887 -1.601 1.00 0.00 C ATOM 540 O LYS A 583 7.080 -2.653 -1.736 1.00 0.00 O ATOM 541 CB LYS A 583 4.091 -2.318 -3.264 1.00 0.00 C ATOM 542 CG LYS A 583 4.809 -1.078 -3.760 1.00 0.00 C ATOM 543 CD LYS A 583 3.850 0.046 -4.109 1.00 0.00 C ATOM 544 CE LYS A 583 4.622 1.305 -4.456 1.00 0.00 C ATOM 545 NZ LYS A 583 3.744 2.416 -4.901 1.00 0.00 N ATOM 0 H LYS A 583 3.292 -4.438 -2.269 1.00 0.00 H new ATOM 0 HA LYS A 583 5.705 -3.688 -3.583 1.00 0.00 H new ATOM 0 HB2 LYS A 583 3.480 -2.723 -4.070 1.00 0.00 H new ATOM 0 HB3 LYS A 583 3.412 -2.039 -2.458 1.00 0.00 H new ATOM 0 HG2 LYS A 583 5.505 -0.734 -2.995 1.00 0.00 H new ATOM 0 HG3 LYS A 583 5.402 -1.332 -4.639 1.00 0.00 H new ATOM 0 HD2 LYS A 583 3.224 -0.249 -4.951 1.00 0.00 H new ATOM 0 HD3 LYS A 583 3.184 0.239 -3.268 1.00 0.00 H new ATOM 0 HE2 LYS A 583 5.193 1.626 -3.585 1.00 0.00 H new ATOM 0 HE3 LYS A 583 5.341 1.079 -5.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 4.290 3.300 -4.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 3.374 2.207 -5.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 2.951 2.520 -4.236 1.00 0.00 H new ATOM 559 N LEU A 584 5.232 -2.731 -0.453 1.00 0.00 N ATOM 560 CA LEU A 584 5.902 -2.332 0.772 1.00 0.00 C ATOM 561 C LEU A 584 6.967 -3.370 1.118 1.00 0.00 C ATOM 562 O LEU A 584 8.091 -3.025 1.464 1.00 0.00 O ATOM 563 CB LEU A 584 4.859 -2.186 1.896 1.00 0.00 C ATOM 564 CG LEU A 584 5.357 -1.615 3.230 1.00 0.00 C ATOM 565 CD1 LEU A 584 6.007 -2.699 4.075 1.00 0.00 C ATOM 566 CD2 LEU A 584 6.320 -0.460 2.991 1.00 0.00 C ATOM 0 H LEU A 584 4.228 -2.878 -0.349 1.00 0.00 H new ATOM 0 HA LEU A 584 6.396 -1.369 0.646 1.00 0.00 H new ATOM 0 HB2 LEU A 584 4.054 -1.547 1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 584 4.425 -3.168 2.087 1.00 0.00 H new ATOM 0 HG LEU A 584 4.497 -1.233 3.780 1.00 0.00 H new ATOM 0 HD11 LEU A 584 6.352 -2.269 5.016 1.00 0.00 H new ATOM 0 HD12 LEU A 584 5.280 -3.485 4.280 1.00 0.00 H new ATOM 0 HD13 LEU A 584 6.855 -3.121 3.536 1.00 0.00 H new ATOM 0 HD21 LEU A 584 6.663 -0.068 3.949 1.00 0.00 H new ATOM 0 HD22 LEU A 584 7.176 -0.813 2.416 1.00 0.00 H new ATOM 0 HD23 LEU A 584 5.812 0.329 2.437 1.00 0.00 H new ATOM 578 N GLU A 585 6.596 -4.639 0.993 1.00 0.00 N ATOM 579 CA GLU A 585 7.518 -5.757 1.170 1.00 0.00 C ATOM 580 C GLU A 585 8.784 -5.569 0.329 1.00 0.00 C ATOM 581 O GLU A 585 9.905 -5.752 0.812 1.00 0.00 O ATOM 582 CB GLU A 585 6.805 -7.045 0.751 1.00 0.00 C ATOM 583 CG GLU A 585 7.664 -8.292 0.808 1.00 0.00 C ATOM 584 CD GLU A 585 7.070 -9.439 0.018 1.00 0.00 C ATOM 585 OE1 GLU A 585 6.004 -9.954 0.411 1.00 0.00 O ATOM 586 OE2 GLU A 585 7.661 -9.819 -1.015 1.00 0.00 O ATOM 0 H GLU A 585 5.643 -4.924 0.765 1.00 0.00 H new ATOM 0 HA GLU A 585 7.818 -5.809 2.217 1.00 0.00 H new ATOM 0 HB2 GLU A 585 5.937 -7.189 1.394 1.00 0.00 H new ATOM 0 HB3 GLU A 585 6.432 -6.923 -0.266 1.00 0.00 H new ATOM 0 HG2 GLU A 585 8.657 -8.064 0.421 1.00 0.00 H new ATOM 0 HG3 GLU A 585 7.789 -8.596 1.847 1.00 0.00 H new ATOM 593 N ALA A 586 8.591 -5.182 -0.925 1.00 0.00 N ATOM 594 CA ALA A 586 9.689 -5.024 -1.870 1.00 0.00 C ATOM 595 C ALA A 586 10.534 -3.800 -1.539 1.00 0.00 C ATOM 596 O ALA A 586 11.755 -3.820 -1.665 1.00 0.00 O ATOM 597 CB ALA A 586 9.142 -4.917 -3.287 1.00 0.00 C ATOM 0 H ALA A 586 7.673 -4.969 -1.315 1.00 0.00 H new ATOM 0 HA ALA A 586 10.330 -5.903 -1.795 1.00 0.00 H new ATOM 0 HB1 ALA A 586 9.968 -4.799 -3.988 1.00 0.00 H new ATOM 0 HB2 ALA A 586 8.585 -5.822 -3.531 1.00 0.00 H new ATOM 0 HB3 ALA A 586 8.480 -4.054 -3.357 1.00 0.00 H new ATOM 603 N LEU A 587 9.879 -2.741 -1.103 1.00 0.00 N ATOM 604 CA LEU A 587 10.559 -1.492 -0.810 1.00 0.00 C ATOM 605 C LEU A 587 11.266 -1.549 0.539 1.00 0.00 C ATOM 606 O LEU A 587 12.386 -1.062 0.684 1.00 0.00 O ATOM 607 CB LEU A 587 9.554 -0.345 -0.845 1.00 0.00 C ATOM 608 CG LEU A 587 8.904 -0.116 -2.211 1.00 0.00 C ATOM 609 CD1 LEU A 587 7.727 0.834 -2.098 1.00 0.00 C ATOM 610 CD2 LEU A 587 9.928 0.419 -3.201 1.00 0.00 C ATOM 0 H LEU A 587 8.872 -2.720 -0.943 1.00 0.00 H new ATOM 0 HA LEU A 587 11.322 -1.324 -1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 587 8.771 -0.541 -0.112 1.00 0.00 H new ATOM 0 HB3 LEU A 587 10.057 0.572 -0.537 1.00 0.00 H new ATOM 0 HG LEU A 587 8.532 -1.073 -2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 587 7.282 0.981 -3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 587 6.983 0.412 -1.422 1.00 0.00 H new ATOM 0 HD13 LEU A 587 8.069 1.793 -1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 587 9.451 0.577 -4.168 1.00 0.00 H new ATOM 0 HD22 LEU A 587 10.328 1.364 -2.835 1.00 0.00 H new ATOM 0 HD23 LEU A 587 10.739 -0.301 -3.310 1.00 0.00 H new ATOM 622 N GLN A 588 10.625 -2.183 1.512 1.00 0.00 N ATOM 623 CA GLN A 588 11.161 -2.270 2.865 1.00 0.00 C ATOM 624 C GLN A 588 12.424 -3.112 2.913 1.00 0.00 C ATOM 625 O GLN A 588 13.256 -2.931 3.792 1.00 0.00 O ATOM 626 CB GLN A 588 10.110 -2.844 3.819 1.00 0.00 C ATOM 627 CG GLN A 588 9.294 -1.782 4.539 1.00 0.00 C ATOM 628 CD GLN A 588 10.065 -1.090 5.649 1.00 0.00 C ATOM 629 OE1 GLN A 588 11.291 -0.966 5.595 1.00 0.00 O ATOM 630 NE2 GLN A 588 9.350 -0.622 6.660 1.00 0.00 N ATOM 0 H GLN A 588 9.726 -2.648 1.388 1.00 0.00 H new ATOM 0 HA GLN A 588 11.419 -1.260 3.183 1.00 0.00 H new ATOM 0 HB2 GLN A 588 9.435 -3.489 3.256 1.00 0.00 H new ATOM 0 HB3 GLN A 588 10.607 -3.471 4.559 1.00 0.00 H new ATOM 0 HG2 GLN A 588 8.961 -1.037 3.817 1.00 0.00 H new ATOM 0 HG3 GLN A 588 8.399 -2.242 4.958 1.00 0.00 H new ATOM 0 HE21 GLN A 588 8.337 -0.744 6.668 1.00 0.00 H new ATOM 0 HE22 GLN A 588 9.812 -0.139 7.431 1.00 0.00 H new ATOM 639 N THR A 589 12.575 -4.026 1.966 1.00 0.00 N ATOM 640 CA THR A 589 13.746 -4.885 1.942 1.00 0.00 C ATOM 641 C THR A 589 14.940 -4.153 1.328 1.00 0.00 C ATOM 642 O THR A 589 16.089 -4.498 1.593 1.00 0.00 O ATOM 643 CB THR A 589 13.467 -6.204 1.184 1.00 0.00 C ATOM 644 OG1 THR A 589 14.456 -7.186 1.517 1.00 0.00 O ATOM 645 CG2 THR A 589 13.456 -5.991 -0.325 1.00 0.00 C ATOM 0 H THR A 589 11.908 -4.190 1.212 1.00 0.00 H new ATOM 0 HA THR A 589 13.989 -5.141 2.973 1.00 0.00 H new ATOM 0 HB THR A 589 12.481 -6.555 1.490 1.00 0.00 H new ATOM 0 HG1 THR A 589 14.268 -8.017 1.032 1.00 0.00 H new ATOM 0 HG21 THR A 589 13.257 -6.939 -0.825 1.00 0.00 H new ATOM 0 HG22 THR A 589 12.678 -5.273 -0.585 1.00 0.00 H new ATOM 0 HG23 THR A 589 14.425 -5.608 -0.645 1.00 0.00 H new ATOM 653 N GLN A 590 14.661 -3.130 0.527 1.00 0.00 N ATOM 654 CA GLN A 590 15.713 -2.279 -0.016 1.00 0.00 C ATOM 655 C GLN A 590 16.253 -1.401 1.090 1.00 0.00 C ATOM 656 O GLN A 590 17.456 -1.183 1.218 1.00 0.00 O ATOM 657 CB GLN A 590 15.168 -1.389 -1.134 1.00 0.00 C ATOM 658 CG GLN A 590 14.474 -2.146 -2.247 1.00 0.00 C ATOM 659 CD GLN A 590 15.427 -2.990 -3.078 1.00 0.00 C ATOM 660 OE1 GLN A 590 16.450 -3.468 -2.590 1.00 0.00 O ATOM 661 NE2 GLN A 590 15.092 -3.179 -4.343 1.00 0.00 N ATOM 0 H GLN A 590 13.717 -2.871 0.240 1.00 0.00 H new ATOM 0 HA GLN A 590 16.501 -2.912 -0.424 1.00 0.00 H new ATOM 0 HB2 GLN A 590 14.467 -0.673 -0.704 1.00 0.00 H new ATOM 0 HB3 GLN A 590 15.991 -0.814 -1.559 1.00 0.00 H new ATOM 0 HG2 GLN A 590 13.708 -2.791 -1.817 1.00 0.00 H new ATOM 0 HG3 GLN A 590 13.964 -1.436 -2.898 1.00 0.00 H new ATOM 0 HE21 GLN A 590 14.235 -2.766 -4.711 1.00 0.00 H new ATOM 0 HE22 GLN A 590 15.690 -3.738 -4.951 1.00 0.00 H new ATOM 670 N VAL A 591 15.321 -0.921 1.894 1.00 0.00 N ATOM 671 CA VAL A 591 15.601 -0.017 2.993 1.00 0.00 C ATOM 672 C VAL A 591 16.093 -0.801 4.211 1.00 0.00 C ATOM 673 O VAL A 591 16.684 -0.242 5.135 1.00 0.00 O ATOM 674 CB VAL A 591 14.313 0.769 3.324 1.00 0.00 C ATOM 675 CG1 VAL A 591 14.550 1.864 4.349 1.00 0.00 C ATOM 676 CG2 VAL A 591 13.729 1.353 2.048 1.00 0.00 C ATOM 0 H VAL A 591 14.332 -1.153 1.799 1.00 0.00 H new ATOM 0 HA VAL A 591 16.388 0.683 2.711 1.00 0.00 H new ATOM 0 HB VAL A 591 13.604 0.070 3.768 1.00 0.00 H new ATOM 0 HG11 VAL A 591 13.614 2.386 4.547 1.00 0.00 H new ATOM 0 HG12 VAL A 591 14.921 1.423 5.274 1.00 0.00 H new ATOM 0 HG13 VAL A 591 15.285 2.570 3.963 1.00 0.00 H new ATOM 0 HG21 VAL A 591 12.820 1.907 2.284 1.00 0.00 H new ATOM 0 HG22 VAL A 591 14.455 2.025 1.590 1.00 0.00 H new ATOM 0 HG23 VAL A 591 13.492 0.547 1.354 1.00 0.00 H new ATOM 686 N ALA A 592 15.857 -2.111 4.185 1.00 0.00 N ATOM 687 CA ALA A 592 16.323 -3.007 5.238 1.00 0.00 C ATOM 688 C ALA A 592 17.833 -3.180 5.163 1.00 0.00 C ATOM 689 O ALA A 592 18.477 -3.592 6.128 1.00 0.00 O ATOM 690 CB ALA A 592 15.636 -4.360 5.137 1.00 0.00 C ATOM 0 H ALA A 592 15.341 -2.577 3.439 1.00 0.00 H new ATOM 0 HA ALA A 592 16.069 -2.560 6.199 1.00 0.00 H new ATOM 0 HB1 ALA A 592 15.998 -5.012 5.932 1.00 0.00 H new ATOM 0 HB2 ALA A 592 14.559 -4.229 5.238 1.00 0.00 H new ATOM 0 HB3 ALA A 592 15.858 -4.809 4.169 1.00 0.00 H new ATOM 696 N ASP A 593 18.382 -2.875 3.999 1.00 0.00 N ATOM 697 CA ASP A 593 19.818 -2.947 3.769 1.00 0.00 C ATOM 698 C ASP A 593 20.508 -1.696 4.304 1.00 0.00 C ATOM 699 O ASP A 593 20.080 -0.574 4.035 1.00 0.00 O ATOM 700 CB ASP A 593 20.085 -3.121 2.270 1.00 0.00 C ATOM 701 CG ASP A 593 21.517 -2.822 1.870 1.00 0.00 C ATOM 702 OD1 ASP A 593 22.453 -3.289 2.556 1.00 0.00 O ATOM 703 OD2 ASP A 593 21.709 -2.110 0.864 1.00 0.00 O ATOM 0 H ASP A 593 17.846 -2.570 3.186 1.00 0.00 H new ATOM 0 HA ASP A 593 20.226 -3.805 4.302 1.00 0.00 H new ATOM 0 HB2 ASP A 593 19.842 -4.144 1.983 1.00 0.00 H new ATOM 0 HB3 ASP A 593 19.416 -2.466 1.712 1.00 0.00 H new ATOM 708 N ALA A 594 21.572 -1.904 5.073 1.00 0.00 N ATOM 709 CA ALA A 594 22.319 -0.804 5.683 1.00 0.00 C ATOM 710 C ALA A 594 23.051 0.018 4.631 1.00 0.00 C ATOM 711 O ALA A 594 23.430 1.164 4.878 1.00 0.00 O ATOM 712 CB ALA A 594 23.312 -1.343 6.700 1.00 0.00 C ATOM 0 H ALA A 594 21.940 -2.830 5.291 1.00 0.00 H new ATOM 0 HA ALA A 594 21.604 -0.154 6.187 1.00 0.00 H new ATOM 0 HB1 ALA A 594 23.861 -0.514 7.147 1.00 0.00 H new ATOM 0 HB2 ALA A 594 22.777 -1.885 7.479 1.00 0.00 H new ATOM 0 HB3 ALA A 594 24.011 -2.017 6.204 1.00 0.00 H new ATOM 718 N SER A 595 23.241 -0.573 3.463 1.00 0.00 N ATOM 719 CA SER A 595 23.938 0.087 2.374 1.00 0.00 C ATOM 720 C SER A 595 22.991 1.006 1.607 1.00 0.00 C ATOM 721 O SER A 595 23.422 1.802 0.770 1.00 0.00 O ATOM 722 CB SER A 595 24.526 -0.964 1.435 1.00 0.00 C ATOM 723 OG SER A 595 25.259 -1.938 2.162 1.00 0.00 O ATOM 0 H SER A 595 22.919 -1.516 3.245 1.00 0.00 H new ATOM 0 HA SER A 595 24.743 0.695 2.787 1.00 0.00 H new ATOM 0 HB2 SER A 595 23.725 -1.448 0.877 1.00 0.00 H new ATOM 0 HB3 SER A 595 25.177 -0.482 0.705 1.00 0.00 H new ATOM 0 HG SER A 595 24.645 -2.618 2.510 1.00 0.00 H new ATOM 729 N PHE A 596 21.702 0.890 1.905 1.00 0.00 N ATOM 730 CA PHE A 596 20.679 1.682 1.236 1.00 0.00 C ATOM 731 C PHE A 596 20.909 3.174 1.437 1.00 0.00 C ATOM 732 O PHE A 596 21.012 3.930 0.476 1.00 0.00 O ATOM 733 CB PHE A 596 19.292 1.292 1.745 1.00 0.00 C ATOM 734 CG PHE A 596 18.200 2.193 1.259 1.00 0.00 C ATOM 735 CD1 PHE A 596 17.804 2.169 -0.064 1.00 0.00 C ATOM 736 CD2 PHE A 596 17.581 3.075 2.127 1.00 0.00 C ATOM 737 CE1 PHE A 596 16.806 3.006 -0.511 1.00 0.00 C ATOM 738 CE2 PHE A 596 16.585 3.913 1.685 1.00 0.00 C ATOM 739 CZ PHE A 596 16.198 3.881 0.365 1.00 0.00 C ATOM 0 H PHE A 596 21.340 0.250 2.611 1.00 0.00 H new ATOM 0 HA PHE A 596 20.742 1.473 0.168 1.00 0.00 H new ATOM 0 HB2 PHE A 596 19.074 0.270 1.434 1.00 0.00 H new ATOM 0 HB3 PHE A 596 19.299 1.299 2.835 1.00 0.00 H new ATOM 0 HD1 PHE A 596 18.281 1.488 -0.754 1.00 0.00 H new ATOM 0 HD2 PHE A 596 17.884 3.105 3.163 1.00 0.00 H new ATOM 0 HE1 PHE A 596 16.500 2.977 -1.546 1.00 0.00 H new ATOM 0 HE2 PHE A 596 16.107 4.595 2.373 1.00 0.00 H new ATOM 0 HZ PHE A 596 15.418 4.541 0.015 1.00 0.00 H new ATOM 749 N PHE A 597 21.021 3.587 2.690 1.00 0.00 N ATOM 750 CA PHE A 597 21.187 5.001 3.028 1.00 0.00 C ATOM 751 C PHE A 597 22.598 5.495 2.711 1.00 0.00 C ATOM 752 O PHE A 597 22.981 6.601 3.094 1.00 0.00 O ATOM 753 CB PHE A 597 20.877 5.244 4.500 1.00 0.00 C ATOM 754 CG PHE A 597 19.455 4.954 4.882 1.00 0.00 C ATOM 755 CD1 PHE A 597 18.460 5.887 4.648 1.00 0.00 C ATOM 756 CD2 PHE A 597 19.111 3.747 5.477 1.00 0.00 C ATOM 757 CE1 PHE A 597 17.148 5.626 4.997 1.00 0.00 C ATOM 758 CE2 PHE A 597 17.802 3.482 5.829 1.00 0.00 C ATOM 759 CZ PHE A 597 16.819 4.423 5.588 1.00 0.00 C ATOM 0 H PHE A 597 21.000 2.963 3.497 1.00 0.00 H new ATOM 0 HA PHE A 597 20.482 5.563 2.415 1.00 0.00 H new ATOM 0 HB2 PHE A 597 21.538 4.625 5.107 1.00 0.00 H new ATOM 0 HB3 PHE A 597 21.102 6.283 4.741 1.00 0.00 H new ATOM 0 HD1 PHE A 597 18.712 6.831 4.187 1.00 0.00 H new ATOM 0 HD2 PHE A 597 19.875 3.008 5.666 1.00 0.00 H new ATOM 0 HE1 PHE A 597 16.381 6.363 4.807 1.00 0.00 H new ATOM 0 HE2 PHE A 597 17.547 2.540 6.292 1.00 0.00 H new ATOM 0 HZ PHE A 597 15.795 4.217 5.862 1.00 0.00 H new ATOM 769 N SER A 598 23.367 4.669 2.021 1.00 0.00 N ATOM 770 CA SER A 598 24.719 5.022 1.635 1.00 0.00 C ATOM 771 C SER A 598 24.724 5.345 0.151 1.00 0.00 C ATOM 772 O SER A 598 25.752 5.694 -0.438 1.00 0.00 O ATOM 773 CB SER A 598 25.675 3.875 1.954 1.00 0.00 C ATOM 774 OG SER A 598 25.552 3.484 3.316 1.00 0.00 O ATOM 0 H SER A 598 23.072 3.742 1.715 1.00 0.00 H new ATOM 0 HA SER A 598 25.057 5.894 2.195 1.00 0.00 H new ATOM 0 HB2 SER A 598 25.461 3.025 1.306 1.00 0.00 H new ATOM 0 HB3 SER A 598 26.701 4.182 1.749 1.00 0.00 H new ATOM 0 HG SER A 598 26.171 2.747 3.502 1.00 0.00 H new ATOM 780 N GLN A 599 23.545 5.212 -0.437 1.00 0.00 N ATOM 781 CA GLN A 599 23.308 5.548 -1.808 1.00 0.00 C ATOM 782 C GLN A 599 22.891 7.008 -1.916 1.00 0.00 C ATOM 783 O GLN A 599 22.492 7.620 -0.924 1.00 0.00 O ATOM 784 CB GLN A 599 22.215 4.635 -2.338 1.00 0.00 C ATOM 785 CG GLN A 599 22.712 3.250 -2.707 1.00 0.00 C ATOM 786 CD GLN A 599 23.794 3.282 -3.764 1.00 0.00 C ATOM 787 OE1 GLN A 599 24.978 3.397 -3.455 1.00 0.00 O ATOM 788 NE2 GLN A 599 23.394 3.169 -5.020 1.00 0.00 N ATOM 0 H GLN A 599 22.719 4.860 0.046 1.00 0.00 H new ATOM 0 HA GLN A 599 24.215 5.413 -2.398 1.00 0.00 H new ATOM 0 HB2 GLN A 599 21.432 4.543 -1.585 1.00 0.00 H new ATOM 0 HB3 GLN A 599 21.761 5.096 -3.215 1.00 0.00 H new ATOM 0 HG2 GLN A 599 23.096 2.756 -1.814 1.00 0.00 H new ATOM 0 HG3 GLN A 599 21.875 2.652 -3.067 1.00 0.00 H new ATOM 0 HE21 GLN A 599 22.401 3.076 -5.232 1.00 0.00 H new ATOM 0 HE22 GLN A 599 24.079 3.175 -5.776 1.00 0.00 H new ATOM 797 N PRO A 600 22.990 7.589 -3.114 1.00 0.00 N ATOM 798 CA PRO A 600 22.676 9.001 -3.331 1.00 0.00 C ATOM 799 C PRO A 600 21.203 9.327 -3.098 1.00 0.00 C ATOM 800 O PRO A 600 20.345 8.455 -3.253 1.00 0.00 O ATOM 801 CB PRO A 600 23.059 9.238 -4.800 1.00 0.00 C ATOM 802 CG PRO A 600 23.930 8.084 -5.163 1.00 0.00 C ATOM 803 CD PRO A 600 23.422 6.930 -4.353 1.00 0.00 C ATOM 0 HA PRO A 600 23.212 9.641 -2.630 1.00 0.00 H new ATOM 0 HB2 PRO A 600 22.175 9.281 -5.436 1.00 0.00 H new ATOM 0 HB3 PRO A 600 23.586 10.184 -4.923 1.00 0.00 H new ATOM 0 HG2 PRO A 600 23.873 7.870 -6.230 1.00 0.00 H new ATOM 0 HG3 PRO A 600 24.975 8.294 -4.935 1.00 0.00 H new ATOM 0 HD2 PRO A 600 22.599 6.415 -4.849 1.00 0.00 H new ATOM 0 HD3 PRO A 600 24.199 6.187 -4.170 1.00 0.00 H new ATOM 811 N HIS A 601 20.930 10.569 -2.712 1.00 0.00 N ATOM 812 CA HIS A 601 19.564 11.063 -2.459 1.00 0.00 C ATOM 813 C HIS A 601 18.568 10.544 -3.499 1.00 0.00 C ATOM 814 O HIS A 601 17.493 10.052 -3.157 1.00 0.00 O ATOM 815 CB HIS A 601 19.597 12.600 -2.494 1.00 0.00 C ATOM 816 CG HIS A 601 18.283 13.294 -2.275 1.00 0.00 C ATOM 817 ND1 HIS A 601 17.948 13.925 -1.094 1.00 0.00 N ATOM 818 CD2 HIS A 601 17.247 13.511 -3.119 1.00 0.00 C ATOM 819 CE1 HIS A 601 16.765 14.497 -1.223 1.00 0.00 C ATOM 820 NE2 HIS A 601 16.321 14.261 -2.441 1.00 0.00 N ATOM 0 H HIS A 601 21.651 11.274 -2.562 1.00 0.00 H new ATOM 0 HA HIS A 601 19.233 10.701 -1.486 1.00 0.00 H new ATOM 0 HB2 HIS A 601 20.298 12.946 -1.735 1.00 0.00 H new ATOM 0 HB3 HIS A 601 19.994 12.913 -3.460 1.00 0.00 H new ATOM 0 HD2 HIS A 601 17.165 13.159 -4.137 1.00 0.00 H new ATOM 0 HE1 HIS A 601 16.249 15.062 -0.460 1.00 0.00 H new ATOM 0 HE2 HIS A 601 15.431 14.585 -2.819 1.00 0.00 H new ATOM 829 N GLU A 602 18.945 10.646 -4.764 1.00 0.00 N ATOM 830 CA GLU A 602 18.072 10.274 -5.871 1.00 0.00 C ATOM 831 C GLU A 602 17.638 8.809 -5.806 1.00 0.00 C ATOM 832 O GLU A 602 16.570 8.455 -6.303 1.00 0.00 O ATOM 833 CB GLU A 602 18.788 10.561 -7.186 1.00 0.00 C ATOM 834 CG GLU A 602 19.143 12.027 -7.344 1.00 0.00 C ATOM 835 CD GLU A 602 17.917 12.908 -7.446 1.00 0.00 C ATOM 836 OE1 GLU A 602 17.392 13.080 -8.564 1.00 0.00 O ATOM 837 OE2 GLU A 602 17.470 13.431 -6.406 1.00 0.00 O ATOM 0 H GLU A 602 19.861 10.988 -5.054 1.00 0.00 H new ATOM 0 HA GLU A 602 17.162 10.871 -5.800 1.00 0.00 H new ATOM 0 HB2 GLU A 602 19.697 9.962 -7.240 1.00 0.00 H new ATOM 0 HB3 GLU A 602 18.154 10.252 -8.017 1.00 0.00 H new ATOM 0 HG2 GLU A 602 19.747 12.346 -6.494 1.00 0.00 H new ATOM 0 HG3 GLU A 602 19.755 12.156 -8.236 1.00 0.00 H new ATOM 844 N GLN A 603 18.457 7.968 -5.187 1.00 0.00 N ATOM 845 CA GLN A 603 18.133 6.553 -5.040 1.00 0.00 C ATOM 846 C GLN A 603 17.257 6.362 -3.829 1.00 0.00 C ATOM 847 O GLN A 603 16.179 5.773 -3.890 1.00 0.00 O ATOM 848 CB GLN A 603 19.394 5.720 -4.828 1.00 0.00 C ATOM 849 CG GLN A 603 20.501 6.002 -5.810 1.00 0.00 C ATOM 850 CD GLN A 603 20.083 5.724 -7.240 1.00 0.00 C ATOM 851 OE1 GLN A 603 19.607 6.612 -7.948 1.00 0.00 O ATOM 852 NE2 GLN A 603 20.236 4.483 -7.667 1.00 0.00 N ATOM 0 H GLN A 603 19.351 8.240 -4.778 1.00 0.00 H new ATOM 0 HA GLN A 603 17.628 6.231 -5.951 1.00 0.00 H new ATOM 0 HB2 GLN A 603 19.766 5.898 -3.819 1.00 0.00 H new ATOM 0 HB3 GLN A 603 19.131 4.664 -4.889 1.00 0.00 H new ATOM 0 HG2 GLN A 603 20.808 7.044 -5.719 1.00 0.00 H new ATOM 0 HG3 GLN A 603 21.369 5.391 -5.562 1.00 0.00 H new ATOM 0 HE21 GLN A 603 20.635 3.776 -7.049 1.00 0.00 H new ATOM 0 HE22 GLN A 603 19.956 4.232 -8.615 1.00 0.00 H new ATOM 861 N THR A 604 17.745 6.888 -2.727 1.00 0.00 N ATOM 862 CA THR A 604 17.145 6.669 -1.440 1.00 0.00 C ATOM 863 C THR A 604 15.761 7.292 -1.350 1.00 0.00 C ATOM 864 O THR A 604 14.816 6.645 -0.913 1.00 0.00 O ATOM 865 CB THR A 604 18.060 7.224 -0.347 1.00 0.00 C ATOM 866 OG1 THR A 604 18.386 8.592 -0.624 1.00 0.00 O ATOM 867 CG2 THR A 604 19.337 6.401 -0.277 1.00 0.00 C ATOM 0 H THR A 604 18.574 7.482 -2.704 1.00 0.00 H new ATOM 0 HA THR A 604 17.023 5.595 -1.298 1.00 0.00 H new ATOM 0 HB THR A 604 17.540 7.168 0.609 1.00 0.00 H new ATOM 0 HG1 THR A 604 18.971 8.938 0.082 1.00 0.00 H new ATOM 0 HG21 THR A 604 19.985 6.801 0.503 1.00 0.00 H new ATOM 0 HG22 THR A 604 19.090 5.364 -0.048 1.00 0.00 H new ATOM 0 HG23 THR A 604 19.853 6.447 -1.236 1.00 0.00 H new ATOM 875 N GLN A 605 15.638 8.532 -1.799 1.00 0.00 N ATOM 876 CA GLN A 605 14.365 9.235 -1.754 1.00 0.00 C ATOM 877 C GLN A 605 13.379 8.635 -2.746 1.00 0.00 C ATOM 878 O GLN A 605 12.171 8.681 -2.538 1.00 0.00 O ATOM 879 CB GLN A 605 14.572 10.721 -2.027 1.00 0.00 C ATOM 880 CG GLN A 605 15.427 11.401 -0.976 1.00 0.00 C ATOM 881 CD GLN A 605 14.870 11.255 0.425 1.00 0.00 C ATOM 882 OE1 GLN A 605 13.657 11.167 0.625 1.00 0.00 O ATOM 883 NE2 GLN A 605 15.757 11.222 1.405 1.00 0.00 N ATOM 0 H GLN A 605 16.405 9.072 -2.199 1.00 0.00 H new ATOM 0 HA GLN A 605 13.944 9.123 -0.755 1.00 0.00 H new ATOM 0 HB2 GLN A 605 15.040 10.844 -3.004 1.00 0.00 H new ATOM 0 HB3 GLN A 605 13.602 11.215 -2.074 1.00 0.00 H new ATOM 0 HG2 GLN A 605 16.433 10.982 -1.007 1.00 0.00 H new ATOM 0 HG3 GLN A 605 15.516 12.460 -1.217 1.00 0.00 H new ATOM 0 HE21 GLN A 605 16.752 11.298 1.195 1.00 0.00 H new ATOM 0 HE22 GLN A 605 15.446 11.120 2.371 1.00 0.00 H new ATOM 892 N LYS A 606 13.903 8.066 -3.821 1.00 0.00 N ATOM 893 CA LYS A 606 13.097 7.316 -4.769 1.00 0.00 C ATOM 894 C LYS A 606 12.393 6.181 -4.036 1.00 0.00 C ATOM 895 O LYS A 606 11.187 5.966 -4.185 1.00 0.00 O ATOM 896 CB LYS A 606 14.011 6.769 -5.877 1.00 0.00 C ATOM 897 CG LYS A 606 13.310 6.026 -6.999 1.00 0.00 C ATOM 898 CD LYS A 606 12.984 4.590 -6.623 1.00 0.00 C ATOM 899 CE LYS A 606 12.509 3.802 -7.827 1.00 0.00 C ATOM 900 NZ LYS A 606 13.634 3.409 -8.717 1.00 0.00 N ATOM 0 H LYS A 606 14.894 8.111 -4.059 1.00 0.00 H new ATOM 0 HA LYS A 606 12.342 7.958 -5.222 1.00 0.00 H new ATOM 0 HB2 LYS A 606 14.567 7.601 -6.309 1.00 0.00 H new ATOM 0 HB3 LYS A 606 14.741 6.099 -5.423 1.00 0.00 H new ATOM 0 HG2 LYS A 606 12.390 6.549 -7.259 1.00 0.00 H new ATOM 0 HG3 LYS A 606 13.942 6.032 -7.887 1.00 0.00 H new ATOM 0 HD2 LYS A 606 13.867 4.113 -6.199 1.00 0.00 H new ATOM 0 HD3 LYS A 606 12.214 4.579 -5.851 1.00 0.00 H new ATOM 0 HE2 LYS A 606 11.984 2.908 -7.491 1.00 0.00 H new ATOM 0 HE3 LYS A 606 11.793 4.399 -8.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 13.273 2.815 -9.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 14.078 4.262 -9.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 14.339 2.875 -8.170 1.00 0.00 H new ATOM 914 N VAL A 607 13.167 5.480 -3.225 1.00 0.00 N ATOM 915 CA VAL A 607 12.677 4.329 -2.486 1.00 0.00 C ATOM 916 C VAL A 607 11.855 4.753 -1.267 1.00 0.00 C ATOM 917 O VAL A 607 10.721 4.316 -1.101 1.00 0.00 O ATOM 918 CB VAL A 607 13.846 3.435 -2.032 1.00 0.00 C ATOM 919 CG1 VAL A 607 13.332 2.196 -1.313 1.00 0.00 C ATOM 920 CG2 VAL A 607 14.707 3.040 -3.222 1.00 0.00 C ATOM 0 H VAL A 607 14.151 5.692 -3.060 1.00 0.00 H new ATOM 0 HA VAL A 607 12.031 3.765 -3.159 1.00 0.00 H new ATOM 0 HB VAL A 607 14.459 4.005 -1.334 1.00 0.00 H new ATOM 0 HG11 VAL A 607 14.175 1.580 -1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 607 12.758 2.496 -0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 607 12.693 1.624 -1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 607 15.528 2.409 -2.883 1.00 0.00 H new ATOM 0 HG22 VAL A 607 14.101 2.492 -3.943 1.00 0.00 H new ATOM 0 HG23 VAL A 607 15.109 3.937 -3.694 1.00 0.00 H new ATOM 930 N LEU A 608 12.430 5.617 -0.435 1.00 0.00 N ATOM 931 CA LEU A 608 11.786 6.062 0.806 1.00 0.00 C ATOM 932 C LEU A 608 10.413 6.659 0.541 1.00 0.00 C ATOM 933 O LEU A 608 9.440 6.324 1.219 1.00 0.00 O ATOM 934 CB LEU A 608 12.658 7.100 1.519 1.00 0.00 C ATOM 935 CG LEU A 608 14.030 6.601 1.962 1.00 0.00 C ATOM 936 CD1 LEU A 608 14.851 7.736 2.551 1.00 0.00 C ATOM 937 CD2 LEU A 608 13.885 5.469 2.968 1.00 0.00 C ATOM 0 H LEU A 608 13.349 6.028 -0.597 1.00 0.00 H new ATOM 0 HA LEU A 608 11.666 5.184 1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 608 12.796 7.953 0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 608 12.120 7.462 2.395 1.00 0.00 H new ATOM 0 HG LEU A 608 14.555 6.220 1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 608 15.825 7.358 2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 608 14.986 8.515 1.801 1.00 0.00 H new ATOM 0 HD13 LEU A 608 14.332 8.150 3.415 1.00 0.00 H new ATOM 0 HD21 LEU A 608 14.873 5.125 3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 608 13.339 5.826 3.841 1.00 0.00 H new ATOM 0 HD23 LEU A 608 13.339 4.644 2.511 1.00 0.00 H new ATOM 949 N ALA A 609 10.341 7.539 -0.448 1.00 0.00 N ATOM 950 CA ALA A 609 9.099 8.225 -0.764 1.00 0.00 C ATOM 951 C ALA A 609 8.028 7.241 -1.221 1.00 0.00 C ATOM 952 O ALA A 609 6.860 7.358 -0.843 1.00 0.00 O ATOM 953 CB ALA A 609 9.347 9.282 -1.827 1.00 0.00 C ATOM 0 H ALA A 609 11.128 7.794 -1.044 1.00 0.00 H new ATOM 0 HA ALA A 609 8.735 8.713 0.140 1.00 0.00 H new ATOM 0 HB1 ALA A 609 8.412 9.792 -2.058 1.00 0.00 H new ATOM 0 HB2 ALA A 609 10.073 10.006 -1.458 1.00 0.00 H new ATOM 0 HB3 ALA A 609 9.734 8.807 -2.729 1.00 0.00 H new ATOM 959 N ASP A 610 8.433 6.255 -2.011 1.00 0.00 N ATOM 960 CA ASP A 610 7.495 5.269 -2.533 1.00 0.00 C ATOM 961 C ASP A 610 7.145 4.253 -1.452 1.00 0.00 C ATOM 962 O ASP A 610 6.022 3.760 -1.391 1.00 0.00 O ATOM 963 CB ASP A 610 8.076 4.568 -3.763 1.00 0.00 C ATOM 964 CG ASP A 610 7.030 3.794 -4.546 1.00 0.00 C ATOM 965 OD1 ASP A 610 5.884 4.282 -4.670 1.00 0.00 O ATOM 966 OD2 ASP A 610 7.358 2.713 -5.076 1.00 0.00 O ATOM 0 H ASP A 610 9.400 6.117 -2.304 1.00 0.00 H new ATOM 0 HA ASP A 610 6.583 5.784 -2.836 1.00 0.00 H new ATOM 0 HB2 ASP A 610 8.536 5.310 -4.415 1.00 0.00 H new ATOM 0 HB3 ASP A 610 8.866 3.886 -3.448 1.00 0.00 H new ATOM 971 N MET A 611 8.112 3.954 -0.590 1.00 0.00 N ATOM 972 CA MET A 611 7.881 3.066 0.548 1.00 0.00 C ATOM 973 C MET A 611 6.826 3.649 1.474 1.00 0.00 C ATOM 974 O MET A 611 5.856 2.979 1.828 1.00 0.00 O ATOM 975 CB MET A 611 9.179 2.818 1.333 1.00 0.00 C ATOM 976 CG MET A 611 8.959 2.076 2.647 1.00 0.00 C ATOM 977 SD MET A 611 10.486 1.785 3.560 1.00 0.00 S ATOM 978 CE MET A 611 10.972 3.466 3.936 1.00 0.00 C ATOM 0 H MET A 611 9.064 4.313 -0.657 1.00 0.00 H new ATOM 0 HA MET A 611 7.527 2.113 0.156 1.00 0.00 H new ATOM 0 HB2 MET A 611 9.867 2.245 0.711 1.00 0.00 H new ATOM 0 HB3 MET A 611 9.658 3.775 1.540 1.00 0.00 H new ATOM 0 HG2 MET A 611 8.274 2.650 3.271 1.00 0.00 H new ATOM 0 HG3 MET A 611 8.478 1.120 2.441 1.00 0.00 H new ATOM 0 HE1 MET A 611 11.601 3.472 4.826 1.00 0.00 H new ATOM 0 HE2 MET A 611 11.529 3.880 3.096 1.00 0.00 H new ATOM 0 HE3 MET A 611 10.083 4.070 4.115 1.00 0.00 H new ATOM 988 N ALA A 612 7.011 4.909 1.845 1.00 0.00 N ATOM 989 CA ALA A 612 6.086 5.576 2.749 1.00 0.00 C ATOM 990 C ALA A 612 4.715 5.744 2.099 1.00 0.00 C ATOM 991 O ALA A 612 3.684 5.654 2.766 1.00 0.00 O ATOM 992 CB ALA A 612 6.641 6.924 3.179 1.00 0.00 C ATOM 0 H ALA A 612 7.791 5.488 1.534 1.00 0.00 H new ATOM 0 HA ALA A 612 5.967 4.952 3.635 1.00 0.00 H new ATOM 0 HB1 ALA A 612 5.936 7.409 3.855 1.00 0.00 H new ATOM 0 HB2 ALA A 612 7.593 6.779 3.690 1.00 0.00 H new ATOM 0 HB3 ALA A 612 6.792 7.552 2.301 1.00 0.00 H new ATOM 998 N ALA A 613 4.712 5.986 0.793 1.00 0.00 N ATOM 999 CA ALA A 613 3.470 6.098 0.040 1.00 0.00 C ATOM 1000 C ALA A 613 2.760 4.753 -0.014 1.00 0.00 C ATOM 1001 O ALA A 613 1.535 4.687 0.063 1.00 0.00 O ATOM 1002 CB ALA A 613 3.742 6.608 -1.366 1.00 0.00 C ATOM 0 H ALA A 613 5.556 6.108 0.234 1.00 0.00 H new ATOM 0 HA ALA A 613 2.823 6.814 0.548 1.00 0.00 H new ATOM 0 HB1 ALA A 613 2.802 6.685 -1.913 1.00 0.00 H new ATOM 0 HB2 ALA A 613 4.212 7.590 -1.312 1.00 0.00 H new ATOM 0 HB3 ALA A 613 4.407 5.915 -1.882 1.00 0.00 H new ATOM 1008 N ALA A 614 3.541 3.686 -0.131 1.00 0.00 N ATOM 1009 CA ALA A 614 2.999 2.337 -0.206 1.00 0.00 C ATOM 1010 C ALA A 614 2.304 1.943 1.088 1.00 0.00 C ATOM 1011 O ALA A 614 1.170 1.468 1.069 1.00 0.00 O ATOM 1012 CB ALA A 614 4.099 1.339 -0.536 1.00 0.00 C ATOM 0 H ALA A 614 4.559 3.731 -0.176 1.00 0.00 H new ATOM 0 HA ALA A 614 2.256 2.323 -1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 614 3.676 0.336 -0.588 1.00 0.00 H new ATOM 0 HB2 ALA A 614 4.546 1.595 -1.497 1.00 0.00 H new ATOM 0 HB3 ALA A 614 4.864 1.371 0.240 1.00 0.00 H new ATOM 1018 N GLU A 615 2.980 2.151 2.213 1.00 0.00 N ATOM 1019 CA GLU A 615 2.433 1.756 3.506 1.00 0.00 C ATOM 1020 C GLU A 615 1.214 2.599 3.880 1.00 0.00 C ATOM 1021 O GLU A 615 0.228 2.066 4.393 1.00 0.00 O ATOM 1022 CB GLU A 615 3.499 1.824 4.606 1.00 0.00 C ATOM 1023 CG GLU A 615 4.269 3.131 4.656 1.00 0.00 C ATOM 1024 CD GLU A 615 5.161 3.234 5.876 1.00 0.00 C ATOM 1025 OE1 GLU A 615 5.888 2.264 6.177 1.00 0.00 O ATOM 1026 OE2 GLU A 615 5.123 4.283 6.554 1.00 0.00 O ATOM 0 H GLU A 615 3.901 2.588 2.256 1.00 0.00 H new ATOM 0 HA GLU A 615 2.107 0.720 3.416 1.00 0.00 H new ATOM 0 HB2 GLU A 615 3.018 1.663 5.571 1.00 0.00 H new ATOM 0 HB3 GLU A 615 4.205 1.006 4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 615 4.877 3.225 3.756 1.00 0.00 H new ATOM 0 HG3 GLU A 615 3.565 3.964 4.653 1.00 0.00 H new ATOM 1033 N GLN A 616 1.263 3.904 3.604 1.00 0.00 N ATOM 1034 CA GLN A 616 0.133 4.775 3.919 1.00 0.00 C ATOM 1035 C GLN A 616 -1.038 4.483 2.987 1.00 0.00 C ATOM 1036 O GLN A 616 -2.200 4.645 3.364 1.00 0.00 O ATOM 1037 CB GLN A 616 0.517 6.256 3.838 1.00 0.00 C ATOM 1038 CG GLN A 616 0.780 6.756 2.426 1.00 0.00 C ATOM 1039 CD GLN A 616 1.004 8.251 2.369 1.00 0.00 C ATOM 1040 OE1 GLN A 616 0.064 9.028 2.191 1.00 0.00 O ATOM 1041 NE2 GLN A 616 2.249 8.658 2.526 1.00 0.00 N ATOM 0 H GLN A 616 2.059 4.373 3.171 1.00 0.00 H new ATOM 0 HA GLN A 616 -0.166 4.566 4.946 1.00 0.00 H new ATOM 0 HB2 GLN A 616 -0.282 6.852 4.279 1.00 0.00 H new ATOM 0 HB3 GLN A 616 1.409 6.422 4.442 1.00 0.00 H new ATOM 0 HG2 GLN A 616 1.654 6.246 2.021 1.00 0.00 H new ATOM 0 HG3 GLN A 616 -0.065 6.495 1.789 1.00 0.00 H new ATOM 0 HE21 GLN A 616 2.994 7.976 2.671 1.00 0.00 H new ATOM 0 HE22 GLN A 616 2.467 9.654 2.503 1.00 0.00 H new ATOM 1050 N GLU A 617 -0.727 4.050 1.771 1.00 0.00 N ATOM 1051 CA GLU A 617 -1.749 3.645 0.820 1.00 0.00 C ATOM 1052 C GLU A 617 -2.398 2.356 1.298 1.00 0.00 C ATOM 1053 O GLU A 617 -3.618 2.244 1.363 1.00 0.00 O ATOM 1054 CB GLU A 617 -1.134 3.426 -0.562 1.00 0.00 C ATOM 1055 CG GLU A 617 -2.158 3.239 -1.667 1.00 0.00 C ATOM 1056 CD GLU A 617 -2.766 4.546 -2.122 1.00 0.00 C ATOM 1057 OE1 GLU A 617 -3.453 5.201 -1.317 1.00 0.00 O ATOM 1058 OE2 GLU A 617 -2.548 4.927 -3.291 1.00 0.00 O ATOM 0 H GLU A 617 0.228 3.971 1.422 1.00 0.00 H new ATOM 0 HA GLU A 617 -2.499 4.433 0.749 1.00 0.00 H new ATOM 0 HB2 GLU A 617 -0.501 4.279 -0.807 1.00 0.00 H new ATOM 0 HB3 GLU A 617 -0.487 2.549 -0.527 1.00 0.00 H new ATOM 0 HG2 GLU A 617 -1.685 2.747 -2.517 1.00 0.00 H new ATOM 0 HG3 GLU A 617 -2.949 2.577 -1.316 1.00 0.00 H new ATOM 1065 N LEU A 618 -1.553 1.399 1.656 1.00 0.00 N ATOM 1066 CA LEU A 618 -1.996 0.093 2.118 1.00 0.00 C ATOM 1067 C LEU A 618 -2.972 0.219 3.283 1.00 0.00 C ATOM 1068 O LEU A 618 -4.049 -0.372 3.264 1.00 0.00 O ATOM 1069 CB LEU A 618 -0.785 -0.746 2.532 1.00 0.00 C ATOM 1070 CG LEU A 618 -1.100 -2.157 3.024 1.00 0.00 C ATOM 1071 CD1 LEU A 618 -1.799 -2.959 1.943 1.00 0.00 C ATOM 1072 CD2 LEU A 618 0.169 -2.861 3.460 1.00 0.00 C ATOM 0 H LEU A 618 -0.539 1.508 1.634 1.00 0.00 H new ATOM 0 HA LEU A 618 -2.517 -0.401 1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 618 -0.108 -0.819 1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 618 -0.250 -0.216 3.320 1.00 0.00 H new ATOM 0 HG LEU A 618 -1.769 -2.077 3.881 1.00 0.00 H new ATOM 0 HD11 LEU A 618 -2.014 -3.961 2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 618 -2.732 -2.466 1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 618 -1.154 -3.028 1.067 1.00 0.00 H new ATOM 0 HD21 LEU A 618 -0.073 -3.865 3.808 1.00 0.00 H new ATOM 0 HD22 LEU A 618 0.857 -2.925 2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 618 0.637 -2.300 4.269 1.00 0.00 H new ATOM 1084 N GLU A 619 -2.602 1.008 4.284 1.00 0.00 N ATOM 1085 CA GLU A 619 -3.418 1.134 5.484 1.00 0.00 C ATOM 1086 C GLU A 619 -4.743 1.843 5.206 1.00 0.00 C ATOM 1087 O GLU A 619 -5.778 1.442 5.736 1.00 0.00 O ATOM 1088 CB GLU A 619 -2.649 1.853 6.596 1.00 0.00 C ATOM 1089 CG GLU A 619 -2.121 3.222 6.199 1.00 0.00 C ATOM 1090 CD GLU A 619 -1.323 3.890 7.301 1.00 0.00 C ATOM 1091 OE1 GLU A 619 -0.093 3.695 7.357 1.00 0.00 O ATOM 1092 OE2 GLU A 619 -1.922 4.625 8.110 1.00 0.00 O ATOM 0 H GLU A 619 -1.748 1.566 4.289 1.00 0.00 H new ATOM 0 HA GLU A 619 -3.651 0.123 5.818 1.00 0.00 H new ATOM 0 HB2 GLU A 619 -3.302 1.964 7.462 1.00 0.00 H new ATOM 0 HB3 GLU A 619 -1.812 1.228 6.907 1.00 0.00 H new ATOM 0 HG2 GLU A 619 -1.494 3.121 5.313 1.00 0.00 H new ATOM 0 HG3 GLU A 619 -2.959 3.863 5.924 1.00 0.00 H new ATOM 1099 N GLN A 620 -4.733 2.885 4.372 1.00 0.00 N ATOM 1100 CA GLN A 620 -5.969 3.604 4.082 1.00 0.00 C ATOM 1101 C GLN A 620 -6.863 2.777 3.173 1.00 0.00 C ATOM 1102 O GLN A 620 -8.087 2.805 3.294 1.00 0.00 O ATOM 1103 CB GLN A 620 -5.714 4.975 3.445 1.00 0.00 C ATOM 1104 CG GLN A 620 -5.089 4.930 2.062 1.00 0.00 C ATOM 1105 CD GLN A 620 -5.101 6.286 1.386 1.00 0.00 C ATOM 1106 OE1 GLN A 620 -6.056 6.642 0.693 1.00 0.00 O ATOM 1107 NE2 GLN A 620 -4.046 7.056 1.582 1.00 0.00 N ATOM 0 H GLN A 620 -3.903 3.241 3.897 1.00 0.00 H new ATOM 0 HA GLN A 620 -6.467 3.771 5.037 1.00 0.00 H new ATOM 0 HB2 GLN A 620 -6.660 5.512 3.383 1.00 0.00 H new ATOM 0 HB3 GLN A 620 -5.063 5.550 4.104 1.00 0.00 H new ATOM 0 HG2 GLN A 620 -4.062 4.574 2.140 1.00 0.00 H new ATOM 0 HG3 GLN A 620 -5.629 4.213 1.444 1.00 0.00 H new ATOM 0 HE21 GLN A 620 -3.275 6.726 2.162 1.00 0.00 H new ATOM 0 HE22 GLN A 620 -4.003 7.980 1.153 1.00 0.00 H new ATOM 1116 N ALA A 621 -6.245 2.039 2.263 1.00 0.00 N ATOM 1117 CA ALA A 621 -6.987 1.165 1.381 1.00 0.00 C ATOM 1118 C ALA A 621 -7.588 0.022 2.183 1.00 0.00 C ATOM 1119 O ALA A 621 -8.712 -0.404 1.936 1.00 0.00 O ATOM 1120 CB ALA A 621 -6.097 0.643 0.264 1.00 0.00 C ATOM 0 H ALA A 621 -5.235 2.031 2.120 1.00 0.00 H new ATOM 0 HA ALA A 621 -7.796 1.730 0.918 1.00 0.00 H new ATOM 0 HB1 ALA A 621 -6.676 -0.012 -0.387 1.00 0.00 H new ATOM 0 HB2 ALA A 621 -5.711 1.482 -0.316 1.00 0.00 H new ATOM 0 HB3 ALA A 621 -5.265 0.085 0.693 1.00 0.00 H new ATOM 1126 N PHE A 622 -6.830 -0.458 3.158 1.00 0.00 N ATOM 1127 CA PHE A 622 -7.322 -1.456 4.092 1.00 0.00 C ATOM 1128 C PHE A 622 -8.542 -0.936 4.844 1.00 0.00 C ATOM 1129 O PHE A 622 -9.558 -1.621 4.952 1.00 0.00 O ATOM 1130 CB PHE A 622 -6.237 -1.815 5.095 1.00 0.00 C ATOM 1131 CG PHE A 622 -5.681 -3.200 4.922 1.00 0.00 C ATOM 1132 CD1 PHE A 622 -6.443 -4.311 5.247 1.00 0.00 C ATOM 1133 CD2 PHE A 622 -4.400 -3.392 4.432 1.00 0.00 C ATOM 1134 CE1 PHE A 622 -5.937 -5.588 5.089 1.00 0.00 C ATOM 1135 CE2 PHE A 622 -3.888 -4.668 4.271 1.00 0.00 C ATOM 1136 CZ PHE A 622 -4.659 -5.767 4.599 1.00 0.00 C ATOM 0 H PHE A 622 -5.866 -0.169 3.322 1.00 0.00 H new ATOM 0 HA PHE A 622 -7.604 -2.341 3.522 1.00 0.00 H new ATOM 0 HB2 PHE A 622 -5.424 -1.094 5.009 1.00 0.00 H new ATOM 0 HB3 PHE A 622 -6.642 -1.720 6.103 1.00 0.00 H new ATOM 0 HD1 PHE A 622 -7.445 -4.178 5.628 1.00 0.00 H new ATOM 0 HD2 PHE A 622 -3.794 -2.537 4.173 1.00 0.00 H new ATOM 0 HE1 PHE A 622 -6.541 -6.445 5.349 1.00 0.00 H new ATOM 0 HE2 PHE A 622 -2.887 -4.805 3.889 1.00 0.00 H new ATOM 0 HZ PHE A 622 -4.263 -6.764 4.472 1.00 0.00 H new ATOM 1146 N GLU A 623 -8.418 0.280 5.367 1.00 0.00 N ATOM 1147 CA GLU A 623 -9.514 0.942 6.056 1.00 0.00 C ATOM 1148 C GLU A 623 -10.741 1.042 5.161 1.00 0.00 C ATOM 1149 O GLU A 623 -11.860 0.780 5.605 1.00 0.00 O ATOM 1150 CB GLU A 623 -9.080 2.330 6.518 1.00 0.00 C ATOM 1151 CG GLU A 623 -8.336 2.326 7.840 1.00 0.00 C ATOM 1152 CD GLU A 623 -9.180 1.785 8.975 1.00 0.00 C ATOM 1153 OE1 GLU A 623 -9.982 2.551 9.552 1.00 0.00 O ATOM 1154 OE2 GLU A 623 -9.052 0.589 9.296 1.00 0.00 O ATOM 0 H GLU A 623 -7.559 0.829 5.324 1.00 0.00 H new ATOM 0 HA GLU A 623 -9.781 0.345 6.928 1.00 0.00 H new ATOM 0 HB2 GLU A 623 -8.443 2.775 5.754 1.00 0.00 H new ATOM 0 HB3 GLU A 623 -9.961 2.965 6.609 1.00 0.00 H new ATOM 0 HG2 GLU A 623 -7.432 1.724 7.744 1.00 0.00 H new ATOM 0 HG3 GLU A 623 -8.019 3.341 8.078 1.00 0.00 H new ATOM 1161 N ARG A 624 -10.530 1.430 3.906 1.00 0.00 N ATOM 1162 CA ARG A 624 -11.597 1.416 2.912 1.00 0.00 C ATOM 1163 C ARG A 624 -12.213 0.038 2.833 1.00 0.00 C ATOM 1164 O ARG A 624 -13.415 -0.122 3.002 1.00 0.00 O ATOM 1165 CB ARG A 624 -11.064 1.791 1.531 1.00 0.00 C ATOM 1166 CG ARG A 624 -10.953 3.279 1.293 1.00 0.00 C ATOM 1167 CD ARG A 624 -12.265 3.883 0.822 1.00 0.00 C ATOM 1168 NE ARG A 624 -12.068 5.242 0.313 1.00 0.00 N ATOM 1169 CZ ARG A 624 -12.609 5.707 -0.814 1.00 0.00 C ATOM 1170 NH1 ARG A 624 -13.527 4.999 -1.460 1.00 0.00 N ATOM 1171 NH2 ARG A 624 -12.262 6.903 -1.270 1.00 0.00 N ATOM 0 H ARG A 624 -9.630 1.758 3.554 1.00 0.00 H new ATOM 0 HA ARG A 624 -12.346 2.146 3.218 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -10.081 1.339 1.398 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -11.718 1.361 0.772 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -10.638 3.770 2.214 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -10.179 3.470 0.549 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -12.697 3.258 0.040 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -12.978 3.900 1.647 1.00 0.00 H new ATOM 0 HE ARG A 624 -11.479 5.874 0.855 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -13.823 4.094 -1.095 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -13.937 5.360 -2.321 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -11.582 7.466 -0.759 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -12.675 7.260 -2.132 1.00 0.00 H new ATOM 1185 N TRP A 625 -11.365 -0.951 2.603 1.00 0.00 N ATOM 1186 CA TRP A 625 -11.805 -2.316 2.389 1.00 0.00 C ATOM 1187 C TRP A 625 -12.679 -2.820 3.529 1.00 0.00 C ATOM 1188 O TRP A 625 -13.796 -3.280 3.302 1.00 0.00 O ATOM 1189 CB TRP A 625 -10.608 -3.246 2.209 1.00 0.00 C ATOM 1190 CG TRP A 625 -11.040 -4.654 1.991 1.00 0.00 C ATOM 1191 CD1 TRP A 625 -11.681 -5.138 0.896 1.00 0.00 C ATOM 1192 CD2 TRP A 625 -10.888 -5.748 2.895 1.00 0.00 C ATOM 1193 NE1 TRP A 625 -11.947 -6.475 1.063 1.00 0.00 N ATOM 1194 CE2 TRP A 625 -11.462 -6.873 2.282 1.00 0.00 C ATOM 1195 CE3 TRP A 625 -10.317 -5.882 4.162 1.00 0.00 C ATOM 1196 CZ2 TRP A 625 -11.492 -8.119 2.901 1.00 0.00 C ATOM 1197 CZ3 TRP A 625 -10.342 -7.118 4.772 1.00 0.00 C ATOM 1198 CH2 TRP A 625 -10.926 -8.222 4.143 1.00 0.00 C ATOM 0 H TRP A 625 -10.353 -0.828 2.560 1.00 0.00 H new ATOM 0 HA TRP A 625 -12.405 -2.317 1.479 1.00 0.00 H new ATOM 0 HB2 TRP A 625 -10.011 -2.912 1.361 1.00 0.00 H new ATOM 0 HB3 TRP A 625 -9.968 -3.193 3.090 1.00 0.00 H new ATOM 0 HD1 TRP A 625 -11.943 -4.558 0.024 1.00 0.00 H new ATOM 0 HE1 TRP A 625 -12.427 -7.074 0.391 1.00 0.00 H new ATOM 0 HE3 TRP A 625 -9.865 -5.034 4.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 625 -11.945 -8.973 2.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 625 -9.903 -7.236 5.752 1.00 0.00 H new ATOM 0 HH2 TRP A 625 -10.931 -9.177 4.648 1.00 0.00 H new ATOM 1209 N GLU A 626 -12.176 -2.731 4.751 1.00 0.00 N ATOM 1210 CA GLU A 626 -12.911 -3.238 5.900 1.00 0.00 C ATOM 1211 C GLU A 626 -14.192 -2.443 6.116 1.00 0.00 C ATOM 1212 O GLU A 626 -15.198 -2.989 6.558 1.00 0.00 O ATOM 1213 CB GLU A 626 -12.041 -3.213 7.152 1.00 0.00 C ATOM 1214 CG GLU A 626 -10.761 -4.018 7.007 1.00 0.00 C ATOM 1215 CD GLU A 626 -10.030 -4.171 8.320 1.00 0.00 C ATOM 1216 OE1 GLU A 626 -9.525 -3.158 8.841 1.00 0.00 O ATOM 1217 OE2 GLU A 626 -9.968 -5.302 8.845 1.00 0.00 O ATOM 0 H GLU A 626 -11.271 -2.317 4.972 1.00 0.00 H new ATOM 0 HA GLU A 626 -13.185 -4.273 5.698 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -11.788 -2.180 7.390 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -12.614 -3.603 7.993 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -10.998 -5.004 6.608 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -10.107 -3.530 6.284 1.00 0.00 H new ATOM 1224 N TYR A 627 -14.150 -1.157 5.788 1.00 0.00 N ATOM 1225 CA TYR A 627 -15.341 -0.321 5.813 1.00 0.00 C ATOM 1226 C TYR A 627 -16.339 -0.798 4.767 1.00 0.00 C ATOM 1227 O TYR A 627 -17.522 -0.935 5.049 1.00 0.00 O ATOM 1228 CB TYR A 627 -14.959 1.148 5.582 1.00 0.00 C ATOM 1229 CG TYR A 627 -16.063 2.020 5.010 1.00 0.00 C ATOM 1230 CD1 TYR A 627 -17.272 2.200 5.677 1.00 0.00 C ATOM 1231 CD2 TYR A 627 -15.887 2.669 3.792 1.00 0.00 C ATOM 1232 CE1 TYR A 627 -18.269 2.997 5.144 1.00 0.00 C ATOM 1233 CE2 TYR A 627 -16.880 3.467 3.257 1.00 0.00 C ATOM 1234 CZ TYR A 627 -18.066 3.629 3.937 1.00 0.00 C ATOM 1235 OH TYR A 627 -19.052 4.431 3.411 1.00 0.00 O ATOM 0 H TYR A 627 -13.301 -0.671 5.501 1.00 0.00 H new ATOM 0 HA TYR A 627 -15.813 -0.400 6.792 1.00 0.00 H new ATOM 0 HB2 TYR A 627 -14.634 1.576 6.530 1.00 0.00 H new ATOM 0 HB3 TYR A 627 -14.104 1.183 4.907 1.00 0.00 H new ATOM 0 HD1 TYR A 627 -17.434 1.710 6.626 1.00 0.00 H new ATOM 0 HD2 TYR A 627 -14.958 2.547 3.255 1.00 0.00 H new ATOM 0 HE1 TYR A 627 -19.203 3.123 5.672 1.00 0.00 H new ATOM 0 HE2 TYR A 627 -16.726 3.962 2.309 1.00 0.00 H new ATOM 0 HH TYR A 627 -18.750 4.803 2.556 1.00 0.00 H new ATOM 1245 N LEU A 628 -15.844 -1.078 3.574 1.00 0.00 N ATOM 1246 CA LEU A 628 -16.692 -1.503 2.473 1.00 0.00 C ATOM 1247 C LEU A 628 -17.297 -2.882 2.744 1.00 0.00 C ATOM 1248 O LEU A 628 -18.463 -3.126 2.427 1.00 0.00 O ATOM 1249 CB LEU A 628 -15.894 -1.488 1.163 1.00 0.00 C ATOM 1250 CG LEU A 628 -15.285 -0.125 0.809 1.00 0.00 C ATOM 1251 CD1 LEU A 628 -14.428 -0.209 -0.445 1.00 0.00 C ATOM 1252 CD2 LEU A 628 -16.376 0.920 0.642 1.00 0.00 C ATOM 0 H LEU A 628 -14.853 -1.018 3.342 1.00 0.00 H new ATOM 0 HA LEU A 628 -17.521 -0.802 2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -15.093 -2.224 1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -16.548 -1.803 0.350 1.00 0.00 H new ATOM 0 HG LEU A 628 -14.639 0.175 1.634 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -14.012 0.773 -0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -13.617 -0.919 -0.284 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -15.041 -0.542 -1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -15.925 1.880 0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -17.051 0.616 -0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -16.935 1.014 1.573 1.00 0.00 H new ATOM 1264 N GLU A 629 -16.511 -3.778 3.334 1.00 0.00 N ATOM 1265 CA GLU A 629 -17.016 -5.091 3.736 1.00 0.00 C ATOM 1266 C GLU A 629 -18.046 -4.964 4.857 1.00 0.00 C ATOM 1267 O GLU A 629 -19.108 -5.588 4.806 1.00 0.00 O ATOM 1268 CB GLU A 629 -15.873 -6.005 4.183 1.00 0.00 C ATOM 1269 CG GLU A 629 -15.211 -6.761 3.044 1.00 0.00 C ATOM 1270 CD GLU A 629 -16.193 -7.614 2.262 1.00 0.00 C ATOM 1271 OE1 GLU A 629 -16.898 -8.446 2.880 1.00 0.00 O ATOM 1272 OE2 GLU A 629 -16.267 -7.465 1.026 1.00 0.00 O ATOM 0 H GLU A 629 -15.525 -3.622 3.545 1.00 0.00 H new ATOM 0 HA GLU A 629 -17.500 -5.535 2.866 1.00 0.00 H new ATOM 0 HB2 GLU A 629 -15.120 -5.406 4.695 1.00 0.00 H new ATOM 0 HB3 GLU A 629 -16.257 -6.723 4.908 1.00 0.00 H new ATOM 0 HG2 GLU A 629 -14.735 -6.050 2.369 1.00 0.00 H new ATOM 0 HG3 GLU A 629 -14.422 -7.397 3.445 1.00 0.00 H new ATOM 1279 N ALA A 630 -17.728 -4.155 5.861 1.00 0.00 N ATOM 1280 CA ALA A 630 -18.636 -3.929 6.978 1.00 0.00 C ATOM 1281 C ALA A 630 -19.921 -3.272 6.500 1.00 0.00 C ATOM 1282 O ALA A 630 -21.018 -3.666 6.892 1.00 0.00 O ATOM 1283 CB ALA A 630 -17.967 -3.065 8.033 1.00 0.00 C ATOM 0 H ALA A 630 -16.847 -3.644 5.924 1.00 0.00 H new ATOM 0 HA ALA A 630 -18.885 -4.894 7.419 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -18.656 -2.904 8.862 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -17.071 -3.566 8.399 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -17.693 -2.104 7.597 1.00 0.00 H new ATOM 1289 N LEU A 631 -19.769 -2.279 5.635 1.00 0.00 N ATOM 1290 CA LEU A 631 -20.896 -1.542 5.088 1.00 0.00 C ATOM 1291 C LEU A 631 -21.801 -2.469 4.289 1.00 0.00 C ATOM 1292 O LEU A 631 -23.023 -2.352 4.333 1.00 0.00 O ATOM 1293 CB LEU A 631 -20.392 -0.421 4.183 1.00 0.00 C ATOM 1294 CG LEU A 631 -21.404 0.677 3.887 1.00 0.00 C ATOM 1295 CD1 LEU A 631 -21.595 1.560 5.106 1.00 0.00 C ATOM 1296 CD2 LEU A 631 -20.962 1.496 2.691 1.00 0.00 C ATOM 0 H LEU A 631 -18.861 -1.963 5.294 1.00 0.00 H new ATOM 0 HA LEU A 631 -21.465 -1.117 5.914 1.00 0.00 H new ATOM 0 HB2 LEU A 631 -19.514 0.031 4.645 1.00 0.00 H new ATOM 0 HB3 LEU A 631 -20.066 -0.857 3.239 1.00 0.00 H new ATOM 0 HG LEU A 631 -22.361 0.215 3.647 1.00 0.00 H new ATOM 0 HD11 LEU A 631 -22.321 2.341 4.880 1.00 0.00 H new ATOM 0 HD12 LEU A 631 -21.958 0.957 5.939 1.00 0.00 H new ATOM 0 HD13 LEU A 631 -20.643 2.017 5.377 1.00 0.00 H new ATOM 0 HD21 LEU A 631 -21.697 2.277 2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 631 -19.995 1.953 2.900 1.00 0.00 H new ATOM 0 HD23 LEU A 631 -20.876 0.849 1.818 1.00 0.00 H new ATOM 1308 N LYS A 632 -21.182 -3.401 3.569 1.00 0.00 N ATOM 1309 CA LYS A 632 -21.913 -4.353 2.744 1.00 0.00 C ATOM 1310 C LYS A 632 -22.839 -5.211 3.607 1.00 0.00 C ATOM 1311 O LYS A 632 -23.889 -5.667 3.155 1.00 0.00 O ATOM 1312 CB LYS A 632 -20.939 -5.265 1.991 1.00 0.00 C ATOM 1313 CG LYS A 632 -21.611 -6.169 0.967 1.00 0.00 C ATOM 1314 CD LYS A 632 -20.720 -7.338 0.578 1.00 0.00 C ATOM 1315 CE LYS A 632 -19.348 -6.872 0.127 1.00 0.00 C ATOM 1316 NZ LYS A 632 -18.472 -8.010 -0.252 1.00 0.00 N ATOM 0 H LYS A 632 -20.169 -3.516 3.542 1.00 0.00 H new ATOM 0 HA LYS A 632 -22.510 -3.789 2.027 1.00 0.00 H new ATOM 0 HB2 LYS A 632 -20.196 -4.649 1.485 1.00 0.00 H new ATOM 0 HB3 LYS A 632 -20.404 -5.883 2.712 1.00 0.00 H new ATOM 0 HG2 LYS A 632 -22.549 -6.546 1.375 1.00 0.00 H new ATOM 0 HG3 LYS A 632 -21.860 -5.590 0.078 1.00 0.00 H new ATOM 0 HD2 LYS A 632 -20.614 -8.013 1.427 1.00 0.00 H new ATOM 0 HD3 LYS A 632 -21.193 -7.905 -0.223 1.00 0.00 H new ATOM 0 HE2 LYS A 632 -19.455 -6.198 -0.723 1.00 0.00 H new ATOM 0 HE3 LYS A 632 -18.877 -6.303 0.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 632 -17.490 -7.796 0.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 632 -18.786 -8.869 0.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 632 -18.526 -8.163 -1.279 1.00 0.00 H new