USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 557 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 563 SER OG : rot 180:sc= 0 USER MOD Single : A 564 TYR OH : rot 180:sc= 0 USER MOD Single : A 565 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 567 GLN : amide:sc= -1.43 X(o=-1.4,f=-1.7) USER MOD Single : A 572 GLN : amide:sc= -0.93 K(o=-0.93,f=-0.035) USER MOD Single : A 575 GLN : amide:sc= -0.0408 X(o=-0.041,f=-0.041) USER MOD Single : A 583 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 588 GLN : amide:sc= -0.51 K(o=-0.51,f=-1.3!) USER MOD Single : A 589 THR OG1 : rot 180:sc= 0 USER MOD Single : A 590 GLN : amide:sc= -0.601 K(o=-0.6,f=-5.2!) USER MOD Single : A 595 SER OG : rot 180:sc= 0 USER MOD Single : A 598 SER OG : rot -24:sc= 0.019 USER MOD Single : A 599 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 601 HIS : no HD1:sc= -3.03! C(o=-3!,f=-4.1!) USER MOD Single : A 603 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 604 THR OG1 : rot 180:sc= -0.411 USER MOD Single : A 605 GLN : amide:sc= -1.82! K(o=-1.8!,f=-0.077) USER MOD Single : A 606 LYS NZ :NH3+ -170:sc= -0.018 (180deg=-0.141) USER MOD Single : A 611 MET CE :methyl 164:sc= -0.72 (180deg=-1.32) USER MOD Single : A 616 GLN : amide:sc= -1.3! K(o=-1.3!,f=-0.05) USER MOD Single : A 620 GLN : amide:sc= -0.82 K(o=-0.82,f=0) USER MOD Single : A 627 TYR OH : rot 180:sc= 0 USER MOD Single : A 632 LYS NZ :NH3+ -142:sc= 1.25 (180deg=-0.833) USER MOD ----------------------------------------------------------------- ATOM 198 N SER A 563 -22.807 1.599 -3.361 1.00 0.00 N ATOM 199 CA SER A 563 -23.045 1.980 -4.743 1.00 0.00 C ATOM 200 C SER A 563 -21.988 1.345 -5.646 1.00 0.00 C ATOM 201 O SER A 563 -21.031 0.751 -5.136 1.00 0.00 O ATOM 202 CB SER A 563 -23.008 3.503 -4.875 1.00 0.00 C ATOM 203 OG SER A 563 -23.563 3.927 -6.106 1.00 0.00 O ATOM 0 HA SER A 563 -24.029 1.624 -5.049 1.00 0.00 H new ATOM 0 HB2 SER A 563 -23.559 3.955 -4.050 1.00 0.00 H new ATOM 0 HB3 SER A 563 -21.978 3.852 -4.799 1.00 0.00 H new ATOM 0 HG SER A 563 -23.527 4.905 -6.161 1.00 0.00 H new ATOM 209 N TYR A 564 -22.123 1.474 -6.964 1.00 0.00 N ATOM 210 CA TYR A 564 -21.239 0.759 -7.882 1.00 0.00 C ATOM 211 C TYR A 564 -19.781 1.148 -7.685 1.00 0.00 C ATOM 212 O TYR A 564 -18.892 0.300 -7.786 1.00 0.00 O ATOM 213 CB TYR A 564 -21.621 0.976 -9.342 1.00 0.00 C ATOM 214 CG TYR A 564 -20.935 -0.011 -10.259 1.00 0.00 C ATOM 215 CD1 TYR A 564 -21.507 -1.247 -10.519 1.00 0.00 C ATOM 216 CD2 TYR A 564 -19.704 0.278 -10.836 1.00 0.00 C ATOM 217 CE1 TYR A 564 -20.881 -2.165 -11.335 1.00 0.00 C ATOM 218 CE2 TYR A 564 -19.067 -0.636 -11.654 1.00 0.00 C ATOM 219 CZ TYR A 564 -19.660 -1.859 -11.900 1.00 0.00 C ATOM 220 OH TYR A 564 -19.041 -2.777 -12.720 1.00 0.00 O ATOM 0 H TYR A 564 -22.826 2.059 -7.416 1.00 0.00 H new ATOM 0 HA TYR A 564 -21.361 -0.298 -7.644 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -22.701 0.883 -9.452 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -21.357 1.991 -9.639 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -22.460 -1.495 -10.075 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -19.238 1.233 -10.642 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -21.345 -3.120 -11.531 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -18.112 -0.396 -12.098 1.00 0.00 H new ATOM 0 HH TYR A 564 -18.190 -2.410 -13.039 1.00 0.00 H new ATOM 230 N LYS A 565 -19.538 2.423 -7.405 1.00 0.00 N ATOM 231 CA LYS A 565 -18.186 2.904 -7.172 1.00 0.00 C ATOM 232 C LYS A 565 -17.469 2.056 -6.134 1.00 0.00 C ATOM 233 O LYS A 565 -16.294 1.743 -6.287 1.00 0.00 O ATOM 234 CB LYS A 565 -18.188 4.371 -6.758 1.00 0.00 C ATOM 235 CG LYS A 565 -19.017 4.680 -5.525 1.00 0.00 C ATOM 236 CD LYS A 565 -19.070 6.174 -5.284 1.00 0.00 C ATOM 237 CE LYS A 565 -17.688 6.743 -4.982 1.00 0.00 C ATOM 238 NZ LYS A 565 -17.665 8.227 -5.054 1.00 0.00 N ATOM 0 H LYS A 565 -20.260 3.140 -7.334 1.00 0.00 H new ATOM 0 HA LYS A 565 -17.642 2.817 -8.112 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -17.160 4.685 -6.576 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -18.561 4.969 -7.590 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -20.027 4.290 -5.651 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -18.588 4.180 -4.656 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -19.485 6.670 -6.161 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -19.741 6.385 -4.451 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -17.375 6.424 -3.988 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -16.966 6.335 -5.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -16.706 8.570 -4.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -17.938 8.532 -6.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -18.334 8.619 -4.361 1.00 0.00 H new ATOM 252 N LEU A 566 -18.184 1.649 -5.102 1.00 0.00 N ATOM 253 CA LEU A 566 -17.596 0.820 -4.070 1.00 0.00 C ATOM 254 C LEU A 566 -17.677 -0.638 -4.461 1.00 0.00 C ATOM 255 O LEU A 566 -16.836 -1.435 -4.076 1.00 0.00 O ATOM 256 CB LEU A 566 -18.306 1.008 -2.748 1.00 0.00 C ATOM 257 CG LEU A 566 -18.601 2.446 -2.352 1.00 0.00 C ATOM 258 CD1 LEU A 566 -19.101 2.472 -0.931 1.00 0.00 C ATOM 259 CD2 LEU A 566 -17.367 3.326 -2.517 1.00 0.00 C ATOM 0 H LEU A 566 -19.167 1.878 -4.957 1.00 0.00 H new ATOM 0 HA LEU A 566 -16.554 1.120 -3.961 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -19.248 0.460 -2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -17.701 0.552 -1.964 1.00 0.00 H new ATOM 0 HG LEU A 566 -19.371 2.849 -3.010 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -19.315 3.500 -0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -20.011 1.876 -0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -18.340 2.058 -0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -17.608 4.349 -2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -16.564 2.949 -1.884 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -17.046 3.311 -3.559 1.00 0.00 H new ATOM 271 N GLN A 567 -18.707 -0.977 -5.221 1.00 0.00 N ATOM 272 CA GLN A 567 -18.905 -2.342 -5.679 1.00 0.00 C ATOM 273 C GLN A 567 -17.673 -2.846 -6.416 1.00 0.00 C ATOM 274 O GLN A 567 -17.150 -3.912 -6.106 1.00 0.00 O ATOM 275 CB GLN A 567 -20.142 -2.430 -6.580 1.00 0.00 C ATOM 276 CG GLN A 567 -21.445 -2.317 -5.803 1.00 0.00 C ATOM 277 CD GLN A 567 -22.671 -2.160 -6.683 1.00 0.00 C ATOM 278 OE1 GLN A 567 -22.702 -2.617 -7.824 1.00 0.00 O ATOM 279 NE2 GLN A 567 -23.700 -1.518 -6.145 1.00 0.00 N ATOM 0 H GLN A 567 -19.422 -0.321 -5.535 1.00 0.00 H new ATOM 0 HA GLN A 567 -19.065 -2.976 -4.807 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -20.099 -1.637 -7.327 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -20.127 -3.377 -7.119 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -21.566 -3.205 -5.183 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -21.382 -1.463 -5.128 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -23.634 -1.154 -5.195 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -24.558 -1.389 -6.682 1.00 0.00 H new ATOM 288 N ARG A 568 -17.193 -2.067 -7.373 1.00 0.00 N ATOM 289 CA ARG A 568 -16.012 -2.461 -8.123 1.00 0.00 C ATOM 290 C ARG A 568 -14.739 -2.074 -7.367 1.00 0.00 C ATOM 291 O ARG A 568 -13.674 -2.642 -7.598 1.00 0.00 O ATOM 292 CB ARG A 568 -16.046 -1.891 -9.546 1.00 0.00 C ATOM 293 CG ARG A 568 -15.225 -0.636 -9.783 1.00 0.00 C ATOM 294 CD ARG A 568 -15.922 0.611 -9.275 1.00 0.00 C ATOM 295 NE ARG A 568 -15.468 1.788 -10.018 1.00 0.00 N ATOM 296 CZ ARG A 568 -14.979 2.897 -9.462 1.00 0.00 C ATOM 297 NH1 ARG A 568 -14.897 3.022 -8.148 1.00 0.00 N ATOM 298 NH2 ARG A 568 -14.550 3.891 -10.226 1.00 0.00 N ATOM 0 H ARG A 568 -17.597 -1.171 -7.646 1.00 0.00 H new ATOM 0 HA ARG A 568 -16.009 -3.546 -8.222 1.00 0.00 H new ATOM 0 HB2 ARG A 568 -15.699 -2.663 -10.233 1.00 0.00 H new ATOM 0 HB3 ARG A 568 -17.083 -1.677 -9.805 1.00 0.00 H new ATOM 0 HG2 ARG A 568 -14.259 -0.737 -9.288 1.00 0.00 H new ATOM 0 HG3 ARG A 568 -15.027 -0.530 -10.850 1.00 0.00 H new ATOM 0 HD2 ARG A 568 -17.001 0.501 -9.380 1.00 0.00 H new ATOM 0 HD3 ARG A 568 -15.717 0.742 -8.213 1.00 0.00 H new ATOM 0 HE ARG A 568 -15.530 1.757 -11.036 1.00 0.00 H new ATOM 0 HH11 ARG A 568 -15.210 2.263 -7.543 1.00 0.00 H new ATOM 0 HH12 ARG A 568 -14.520 3.877 -7.740 1.00 0.00 H new ATOM 0 HH21 ARG A 568 -14.593 3.809 -11.242 1.00 0.00 H new ATOM 0 HH22 ARG A 568 -14.176 4.738 -9.798 1.00 0.00 H new ATOM 312 N GLU A 569 -14.866 -1.118 -6.451 1.00 0.00 N ATOM 313 CA GLU A 569 -13.754 -0.736 -5.579 1.00 0.00 C ATOM 314 C GLU A 569 -13.389 -1.906 -4.671 1.00 0.00 C ATOM 315 O GLU A 569 -12.227 -2.293 -4.564 1.00 0.00 O ATOM 316 CB GLU A 569 -14.117 0.509 -4.744 1.00 0.00 C ATOM 317 CG GLU A 569 -13.025 0.957 -3.783 1.00 0.00 C ATOM 318 CD GLU A 569 -13.272 2.346 -3.214 1.00 0.00 C ATOM 319 OE1 GLU A 569 -13.956 2.465 -2.174 1.00 0.00 O ATOM 320 OE2 GLU A 569 -12.782 3.331 -3.813 1.00 0.00 O ATOM 0 H GLU A 569 -15.726 -0.593 -6.292 1.00 0.00 H new ATOM 0 HA GLU A 569 -12.892 -0.484 -6.196 1.00 0.00 H new ATOM 0 HB2 GLU A 569 -14.349 1.331 -5.421 1.00 0.00 H new ATOM 0 HB3 GLU A 569 -15.023 0.299 -4.175 1.00 0.00 H new ATOM 0 HG2 GLU A 569 -12.953 0.242 -2.964 1.00 0.00 H new ATOM 0 HG3 GLU A 569 -12.066 0.947 -4.300 1.00 0.00 H new ATOM 327 N LEU A 570 -14.409 -2.491 -4.066 1.00 0.00 N ATOM 328 CA LEU A 570 -14.253 -3.602 -3.138 1.00 0.00 C ATOM 329 C LEU A 570 -13.755 -4.859 -3.856 1.00 0.00 C ATOM 330 O LEU A 570 -13.157 -5.733 -3.245 1.00 0.00 O ATOM 331 CB LEU A 570 -15.604 -3.867 -2.459 1.00 0.00 C ATOM 332 CG LEU A 570 -15.563 -4.390 -1.018 1.00 0.00 C ATOM 333 CD1 LEU A 570 -16.964 -4.402 -0.438 1.00 0.00 C ATOM 334 CD2 LEU A 570 -14.965 -5.783 -0.938 1.00 0.00 C ATOM 0 H LEU A 570 -15.379 -2.206 -4.206 1.00 0.00 H new ATOM 0 HA LEU A 570 -13.506 -3.342 -2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -16.176 -2.939 -2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -16.154 -4.586 -3.066 1.00 0.00 H new ATOM 0 HG LEU A 570 -14.925 -3.721 -0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 570 -16.931 -4.774 0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -17.369 -3.390 -0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 570 -17.601 -5.051 -1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 570 -14.955 -6.115 0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 570 -15.565 -6.471 -1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 570 -13.945 -5.764 -1.323 1.00 0.00 H new ATOM 346 N GLU A 571 -13.994 -4.948 -5.153 1.00 0.00 N ATOM 347 CA GLU A 571 -13.560 -6.114 -5.918 1.00 0.00 C ATOM 348 C GLU A 571 -12.069 -6.053 -6.238 1.00 0.00 C ATOM 349 O GLU A 571 -11.440 -7.077 -6.493 1.00 0.00 O ATOM 350 CB GLU A 571 -14.374 -6.246 -7.206 1.00 0.00 C ATOM 351 CG GLU A 571 -15.841 -6.578 -6.972 1.00 0.00 C ATOM 352 CD GLU A 571 -16.039 -7.891 -6.238 1.00 0.00 C ATOM 353 OE1 GLU A 571 -15.999 -8.955 -6.893 1.00 0.00 O ATOM 354 OE2 GLU A 571 -16.242 -7.872 -5.006 1.00 0.00 O ATOM 0 H GLU A 571 -14.481 -4.237 -5.698 1.00 0.00 H new ATOM 0 HA GLU A 571 -13.733 -6.995 -5.300 1.00 0.00 H new ATOM 0 HB2 GLU A 571 -14.307 -5.313 -7.765 1.00 0.00 H new ATOM 0 HB3 GLU A 571 -13.930 -7.023 -7.828 1.00 0.00 H new ATOM 0 HG2 GLU A 571 -16.303 -5.774 -6.399 1.00 0.00 H new ATOM 0 HG3 GLU A 571 -16.356 -6.623 -7.932 1.00 0.00 H new ATOM 361 N GLN A 572 -11.499 -4.859 -6.208 1.00 0.00 N ATOM 362 CA GLN A 572 -10.084 -4.699 -6.505 1.00 0.00 C ATOM 363 C GLN A 572 -9.273 -4.514 -5.229 1.00 0.00 C ATOM 364 O GLN A 572 -8.143 -4.990 -5.110 1.00 0.00 O ATOM 365 CB GLN A 572 -9.871 -3.485 -7.410 1.00 0.00 C ATOM 366 CG GLN A 572 -10.576 -3.573 -8.754 1.00 0.00 C ATOM 367 CD GLN A 572 -10.088 -4.727 -9.610 1.00 0.00 C ATOM 368 OE1 GLN A 572 -10.848 -5.286 -10.401 1.00 0.00 O ATOM 369 NE2 GLN A 572 -8.817 -5.077 -9.476 1.00 0.00 N ATOM 0 H GLN A 572 -11.989 -3.993 -5.983 1.00 0.00 H new ATOM 0 HA GLN A 572 -9.746 -5.604 -7.010 1.00 0.00 H new ATOM 0 HB2 GLN A 572 -10.218 -2.593 -6.889 1.00 0.00 H new ATOM 0 HB3 GLN A 572 -8.802 -3.358 -7.582 1.00 0.00 H new ATOM 0 HG2 GLN A 572 -11.648 -3.680 -8.588 1.00 0.00 H new ATOM 0 HG3 GLN A 572 -10.429 -2.639 -9.296 1.00 0.00 H new ATOM 0 HE21 GLN A 572 -8.221 -4.588 -8.808 1.00 0.00 H new ATOM 0 HE22 GLN A 572 -8.435 -5.836 -10.040 1.00 0.00 H new ATOM 378 N LEU A 573 -9.886 -3.821 -4.289 1.00 0.00 N ATOM 379 CA LEU A 573 -9.246 -3.378 -3.052 1.00 0.00 C ATOM 380 C LEU A 573 -8.494 -4.513 -2.311 1.00 0.00 C ATOM 381 O LEU A 573 -7.349 -4.319 -1.923 1.00 0.00 O ATOM 382 CB LEU A 573 -10.319 -2.749 -2.156 1.00 0.00 C ATOM 383 CG LEU A 573 -9.872 -1.580 -1.277 1.00 0.00 C ATOM 384 CD1 LEU A 573 -11.041 -1.059 -0.464 1.00 0.00 C ATOM 385 CD2 LEU A 573 -8.730 -1.977 -0.367 1.00 0.00 C ATOM 0 H LEU A 573 -10.864 -3.541 -4.360 1.00 0.00 H new ATOM 0 HA LEU A 573 -8.480 -2.645 -3.306 1.00 0.00 H new ATOM 0 HB2 LEU A 573 -11.136 -2.406 -2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 573 -10.723 -3.528 -1.509 1.00 0.00 H new ATOM 0 HG LEU A 573 -9.513 -0.786 -1.931 1.00 0.00 H new ATOM 0 HD11 LEU A 573 -10.710 -0.227 0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 573 -11.829 -0.719 -1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 573 -11.426 -1.856 0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 573 -8.437 -1.123 0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 573 -9.048 -2.794 0.281 1.00 0.00 H new ATOM 0 HD23 LEU A 573 -7.881 -2.301 -0.969 1.00 0.00 H new ATOM 397 N PRO A 574 -9.094 -5.709 -2.091 1.00 0.00 N ATOM 398 CA PRO A 574 -8.406 -6.809 -1.392 1.00 0.00 C ATOM 399 C PRO A 574 -7.135 -7.243 -2.115 1.00 0.00 C ATOM 400 O PRO A 574 -6.106 -7.501 -1.486 1.00 0.00 O ATOM 401 CB PRO A 574 -9.430 -7.946 -1.387 1.00 0.00 C ATOM 402 CG PRO A 574 -10.741 -7.281 -1.606 1.00 0.00 C ATOM 403 CD PRO A 574 -10.458 -6.091 -2.474 1.00 0.00 C ATOM 0 HA PRO A 574 -8.086 -6.512 -0.393 1.00 0.00 H new ATOM 0 HB2 PRO A 574 -9.219 -8.671 -2.173 1.00 0.00 H new ATOM 0 HB3 PRO A 574 -9.415 -8.487 -0.441 1.00 0.00 H new ATOM 0 HG2 PRO A 574 -11.446 -7.958 -2.088 1.00 0.00 H new ATOM 0 HG3 PRO A 574 -11.188 -6.977 -0.659 1.00 0.00 H new ATOM 0 HD2 PRO A 574 -10.523 -6.341 -3.533 1.00 0.00 H new ATOM 0 HD3 PRO A 574 -11.167 -5.284 -2.293 1.00 0.00 H new ATOM 411 N GLN A 575 -7.209 -7.301 -3.439 1.00 0.00 N ATOM 412 CA GLN A 575 -6.050 -7.637 -4.256 1.00 0.00 C ATOM 413 C GLN A 575 -5.023 -6.518 -4.169 1.00 0.00 C ATOM 414 O GLN A 575 -3.820 -6.737 -4.308 1.00 0.00 O ATOM 415 CB GLN A 575 -6.463 -7.854 -5.714 1.00 0.00 C ATOM 416 CG GLN A 575 -7.498 -8.954 -5.909 1.00 0.00 C ATOM 417 CD GLN A 575 -6.999 -10.318 -5.469 1.00 0.00 C ATOM 418 OE1 GLN A 575 -6.404 -11.054 -6.256 1.00 0.00 O ATOM 419 NE2 GLN A 575 -7.268 -10.683 -4.227 1.00 0.00 N ATOM 0 H GLN A 575 -8.061 -7.119 -3.970 1.00 0.00 H new ATOM 0 HA GLN A 575 -5.612 -8.562 -3.881 1.00 0.00 H new ATOM 0 HB2 GLN A 575 -6.862 -6.920 -6.110 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -5.576 -8.096 -6.300 1.00 0.00 H new ATOM 0 HG2 GLN A 575 -8.398 -8.703 -5.347 1.00 0.00 H new ATOM 0 HG3 GLN A 575 -7.781 -8.998 -6.961 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -7.763 -10.045 -3.604 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -6.980 -11.602 -3.892 1.00 0.00 H new ATOM 428 N LEU A 576 -5.522 -5.318 -3.926 1.00 0.00 N ATOM 429 CA LEU A 576 -4.688 -4.143 -3.766 1.00 0.00 C ATOM 430 C LEU A 576 -3.996 -4.145 -2.403 1.00 0.00 C ATOM 431 O LEU A 576 -2.877 -3.665 -2.273 1.00 0.00 O ATOM 432 CB LEU A 576 -5.530 -2.880 -3.926 1.00 0.00 C ATOM 433 CG LEU A 576 -4.828 -1.588 -3.535 1.00 0.00 C ATOM 434 CD1 LEU A 576 -3.813 -1.182 -4.593 1.00 0.00 C ATOM 435 CD2 LEU A 576 -5.842 -0.482 -3.293 1.00 0.00 C ATOM 0 H LEU A 576 -6.521 -5.132 -3.834 1.00 0.00 H new ATOM 0 HA LEU A 576 -3.919 -4.161 -4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 576 -5.849 -2.803 -4.965 1.00 0.00 H new ATOM 0 HB3 LEU A 576 -6.432 -2.983 -3.323 1.00 0.00 H new ATOM 0 HG LEU A 576 -4.287 -1.759 -2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 576 -3.324 -0.256 -4.292 1.00 0.00 H new ATOM 0 HD12 LEU A 576 -3.066 -1.968 -4.701 1.00 0.00 H new ATOM 0 HD13 LEU A 576 -4.321 -1.031 -5.545 1.00 0.00 H new ATOM 0 HD21 LEU A 576 -5.321 0.434 -3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 576 -6.417 -0.310 -4.203 1.00 0.00 H new ATOM 0 HD23 LEU A 576 -6.516 -0.776 -2.488 1.00 0.00 H new ATOM 447 N LEU A 577 -4.661 -4.679 -1.387 1.00 0.00 N ATOM 448 CA LEU A 577 -4.059 -4.785 -0.063 1.00 0.00 C ATOM 449 C LEU A 577 -2.845 -5.684 -0.101 1.00 0.00 C ATOM 450 O LEU A 577 -1.762 -5.284 0.307 1.00 0.00 O ATOM 451 CB LEU A 577 -5.057 -5.310 0.971 1.00 0.00 C ATOM 452 CG LEU A 577 -5.882 -4.254 1.713 1.00 0.00 C ATOM 453 CD1 LEU A 577 -5.453 -2.831 1.348 1.00 0.00 C ATOM 454 CD2 LEU A 577 -7.364 -4.469 1.454 1.00 0.00 C ATOM 0 H LEU A 577 -5.611 -5.044 -1.452 1.00 0.00 H new ATOM 0 HA LEU A 577 -3.755 -3.781 0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.744 -5.991 0.469 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -4.509 -5.897 1.708 1.00 0.00 H new ATOM 0 HG LEU A 577 -5.695 -4.372 2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -6.064 -2.115 1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -4.404 -2.689 1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -5.584 -2.675 0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -7.940 -3.712 1.987 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -7.562 -4.390 0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -7.655 -5.459 1.804 1.00 0.00 H new ATOM 466 N GLU A 578 -3.020 -6.890 -0.612 1.00 0.00 N ATOM 467 CA GLU A 578 -1.900 -7.810 -0.740 1.00 0.00 C ATOM 468 C GLU A 578 -0.867 -7.250 -1.719 1.00 0.00 C ATOM 469 O GLU A 578 0.306 -7.616 -1.684 1.00 0.00 O ATOM 470 CB GLU A 578 -2.377 -9.196 -1.179 1.00 0.00 C ATOM 471 CG GLU A 578 -3.240 -9.183 -2.427 1.00 0.00 C ATOM 472 CD GLU A 578 -3.620 -10.572 -2.884 1.00 0.00 C ATOM 473 OE1 GLU A 578 -4.585 -11.144 -2.336 1.00 0.00 O ATOM 474 OE2 GLU A 578 -2.952 -11.103 -3.800 1.00 0.00 O ATOM 0 H GLU A 578 -3.914 -7.253 -0.942 1.00 0.00 H new ATOM 0 HA GLU A 578 -1.428 -7.918 0.236 1.00 0.00 H new ATOM 0 HB2 GLU A 578 -1.508 -9.829 -1.357 1.00 0.00 H new ATOM 0 HB3 GLU A 578 -2.941 -9.650 -0.364 1.00 0.00 H new ATOM 0 HG2 GLU A 578 -4.145 -8.608 -2.232 1.00 0.00 H new ATOM 0 HG3 GLU A 578 -2.705 -8.674 -3.229 1.00 0.00 H new ATOM 481 N ASP A 579 -1.315 -6.344 -2.579 1.00 0.00 N ATOM 482 CA ASP A 579 -0.431 -5.664 -3.512 1.00 0.00 C ATOM 483 C ASP A 579 0.473 -4.706 -2.759 1.00 0.00 C ATOM 484 O ASP A 579 1.691 -4.773 -2.864 1.00 0.00 O ATOM 485 CB ASP A 579 -1.235 -4.855 -4.525 1.00 0.00 C ATOM 486 CG ASP A 579 -0.559 -4.763 -5.874 1.00 0.00 C ATOM 487 OD1 ASP A 579 -0.786 -5.653 -6.720 1.00 0.00 O ATOM 488 OD2 ASP A 579 0.192 -3.793 -6.103 1.00 0.00 O ATOM 0 H ASP A 579 -2.293 -6.063 -2.648 1.00 0.00 H new ATOM 0 HA ASP A 579 0.158 -6.422 -4.029 1.00 0.00 H new ATOM 0 HB2 ASP A 579 -2.218 -5.309 -4.647 1.00 0.00 H new ATOM 0 HB3 ASP A 579 -1.395 -3.850 -4.135 1.00 0.00 H new ATOM 493 N LEU A 580 -0.155 -3.824 -1.988 1.00 0.00 N ATOM 494 CA LEU A 580 0.541 -2.780 -1.249 1.00 0.00 C ATOM 495 C LEU A 580 1.355 -3.363 -0.108 1.00 0.00 C ATOM 496 O LEU A 580 2.395 -2.826 0.255 1.00 0.00 O ATOM 497 CB LEU A 580 -0.463 -1.773 -0.697 1.00 0.00 C ATOM 498 CG LEU A 580 -1.354 -1.111 -1.744 1.00 0.00 C ATOM 499 CD1 LEU A 580 -2.423 -0.276 -1.070 1.00 0.00 C ATOM 500 CD2 LEU A 580 -0.521 -0.263 -2.693 1.00 0.00 C ATOM 0 H LEU A 580 -1.167 -3.815 -1.859 1.00 0.00 H new ATOM 0 HA LEU A 580 1.222 -2.279 -1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 580 -1.097 -2.277 0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 580 0.082 -0.996 -0.161 1.00 0.00 H new ATOM 0 HG LEU A 580 -1.845 -1.889 -2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 580 -3.052 0.191 -1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 580 -3.036 -0.914 -0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 580 -1.952 0.497 -0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 580 -1.173 0.202 -3.433 1.00 0.00 H new ATOM 0 HD22 LEU A 580 -0.003 0.512 -2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 580 0.210 -0.894 -3.198 1.00 0.00 H new ATOM 512 N GLU A 581 0.868 -4.454 0.462 1.00 0.00 N ATOM 513 CA GLU A 581 1.588 -5.145 1.518 1.00 0.00 C ATOM 514 C GLU A 581 2.897 -5.693 0.972 1.00 0.00 C ATOM 515 O GLU A 581 3.974 -5.416 1.500 1.00 0.00 O ATOM 516 CB GLU A 581 0.748 -6.286 2.077 1.00 0.00 C ATOM 517 CG GLU A 581 1.346 -6.904 3.326 1.00 0.00 C ATOM 518 CD GLU A 581 0.593 -8.134 3.784 1.00 0.00 C ATOM 519 OE1 GLU A 581 0.831 -9.224 3.221 1.00 0.00 O ATOM 520 OE2 GLU A 581 -0.227 -8.023 4.717 1.00 0.00 O ATOM 0 H GLU A 581 -0.024 -4.880 0.210 1.00 0.00 H new ATOM 0 HA GLU A 581 1.796 -4.437 2.321 1.00 0.00 H new ATOM 0 HB2 GLU A 581 -0.252 -5.917 2.304 1.00 0.00 H new ATOM 0 HB3 GLU A 581 0.638 -7.056 1.314 1.00 0.00 H new ATOM 0 HG2 GLU A 581 2.386 -7.170 3.134 1.00 0.00 H new ATOM 0 HG3 GLU A 581 1.349 -6.165 4.127 1.00 0.00 H new ATOM 527 N ALA A 582 2.792 -6.451 -0.111 1.00 0.00 N ATOM 528 CA ALA A 582 3.963 -7.017 -0.765 1.00 0.00 C ATOM 529 C ALA A 582 4.794 -5.917 -1.413 1.00 0.00 C ATOM 530 O ALA A 582 5.979 -6.093 -1.676 1.00 0.00 O ATOM 531 CB ALA A 582 3.545 -8.051 -1.798 1.00 0.00 C ATOM 0 H ALA A 582 1.905 -6.688 -0.556 1.00 0.00 H new ATOM 0 HA ALA A 582 4.576 -7.512 -0.012 1.00 0.00 H new ATOM 0 HB1 ALA A 582 4.432 -8.465 -2.278 1.00 0.00 H new ATOM 0 HB2 ALA A 582 2.991 -8.851 -1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 582 2.912 -7.579 -2.550 1.00 0.00 H new ATOM 537 N LYS A 583 4.159 -4.782 -1.673 1.00 0.00 N ATOM 538 CA LYS A 583 4.853 -3.620 -2.204 1.00 0.00 C ATOM 539 C LYS A 583 5.722 -3.014 -1.115 1.00 0.00 C ATOM 540 O LYS A 583 6.900 -2.745 -1.325 1.00 0.00 O ATOM 541 CB LYS A 583 3.858 -2.579 -2.724 1.00 0.00 C ATOM 542 CG LYS A 583 4.531 -1.379 -3.368 1.00 0.00 C ATOM 543 CD LYS A 583 3.537 -0.296 -3.740 1.00 0.00 C ATOM 544 CE LYS A 583 4.237 0.861 -4.433 1.00 0.00 C ATOM 545 NZ LYS A 583 3.304 1.956 -4.803 1.00 0.00 N ATOM 0 H LYS A 583 3.160 -4.643 -1.523 1.00 0.00 H new ATOM 0 HA LYS A 583 5.478 -3.935 -3.040 1.00 0.00 H new ATOM 0 HB2 LYS A 583 3.196 -3.050 -3.451 1.00 0.00 H new ATOM 0 HB3 LYS A 583 3.234 -2.238 -1.898 1.00 0.00 H new ATOM 0 HG2 LYS A 583 5.273 -0.969 -2.682 1.00 0.00 H new ATOM 0 HG3 LYS A 583 5.066 -1.701 -4.261 1.00 0.00 H new ATOM 0 HD2 LYS A 583 2.770 -0.709 -4.396 1.00 0.00 H new ATOM 0 HD3 LYS A 583 3.031 0.063 -2.844 1.00 0.00 H new ATOM 0 HE2 LYS A 583 5.013 1.256 -3.777 1.00 0.00 H new ATOM 0 HE3 LYS A 583 4.735 0.494 -5.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 3.833 2.719 -5.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 2.578 1.589 -5.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 2.847 2.328 -3.946 1.00 0.00 H new ATOM 559 N LEU A 584 5.128 -2.822 0.057 1.00 0.00 N ATOM 560 CA LEU A 584 5.849 -2.317 1.212 1.00 0.00 C ATOM 561 C LEU A 584 6.993 -3.265 1.549 1.00 0.00 C ATOM 562 O LEU A 584 8.120 -2.833 1.734 1.00 0.00 O ATOM 563 CB LEU A 584 4.890 -2.148 2.404 1.00 0.00 C ATOM 564 CG LEU A 584 5.487 -1.541 3.686 1.00 0.00 C ATOM 565 CD1 LEU A 584 6.204 -2.597 4.516 1.00 0.00 C ATOM 566 CD2 LEU A 584 6.428 -0.393 3.345 1.00 0.00 C ATOM 0 H LEU A 584 4.141 -3.011 0.230 1.00 0.00 H new ATOM 0 HA LEU A 584 6.269 -1.337 0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 584 4.057 -1.521 2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 584 4.476 -3.126 2.650 1.00 0.00 H new ATOM 0 HG LEU A 584 4.666 -1.149 4.286 1.00 0.00 H new ATOM 0 HD11 LEU A 584 6.615 -2.137 5.415 1.00 0.00 H new ATOM 0 HD12 LEU A 584 5.499 -3.378 4.799 1.00 0.00 H new ATOM 0 HD13 LEU A 584 7.013 -3.033 3.930 1.00 0.00 H new ATOM 0 HD21 LEU A 584 6.841 0.024 4.264 1.00 0.00 H new ATOM 0 HD22 LEU A 584 7.239 -0.762 2.717 1.00 0.00 H new ATOM 0 HD23 LEU A 584 5.878 0.381 2.810 1.00 0.00 H new ATOM 578 N GLU A 585 6.693 -4.558 1.609 1.00 0.00 N ATOM 579 CA GLU A 585 7.711 -5.574 1.863 1.00 0.00 C ATOM 580 C GLU A 585 8.839 -5.496 0.824 1.00 0.00 C ATOM 581 O GLU A 585 10.019 -5.604 1.162 1.00 0.00 O ATOM 582 CB GLU A 585 7.057 -6.960 1.858 1.00 0.00 C ATOM 583 CG GLU A 585 8.020 -8.120 2.056 1.00 0.00 C ATOM 584 CD GLU A 585 8.833 -8.007 3.332 1.00 0.00 C ATOM 585 OE1 GLU A 585 8.233 -7.974 4.428 1.00 0.00 O ATOM 586 OE2 GLU A 585 10.079 -7.941 3.248 1.00 0.00 O ATOM 0 H GLU A 585 5.751 -4.929 1.485 1.00 0.00 H new ATOM 0 HA GLU A 585 8.157 -5.393 2.841 1.00 0.00 H new ATOM 0 HB2 GLU A 585 6.303 -6.993 2.645 1.00 0.00 H new ATOM 0 HB3 GLU A 585 6.535 -7.097 0.911 1.00 0.00 H new ATOM 0 HG2 GLU A 585 7.457 -9.053 2.072 1.00 0.00 H new ATOM 0 HG3 GLU A 585 8.698 -8.171 1.204 1.00 0.00 H new ATOM 593 N ALA A 586 8.471 -5.275 -0.433 1.00 0.00 N ATOM 594 CA ALA A 586 9.445 -5.212 -1.519 1.00 0.00 C ATOM 595 C ALA A 586 10.291 -3.947 -1.434 1.00 0.00 C ATOM 596 O ALA A 586 11.456 -3.938 -1.819 1.00 0.00 O ATOM 597 CB ALA A 586 8.743 -5.284 -2.865 1.00 0.00 C ATOM 0 H ALA A 586 7.504 -5.136 -0.727 1.00 0.00 H new ATOM 0 HA ALA A 586 10.111 -6.069 -1.419 1.00 0.00 H new ATOM 0 HB1 ALA A 586 9.483 -5.236 -3.664 1.00 0.00 H new ATOM 0 HB2 ALA A 586 8.191 -6.221 -2.938 1.00 0.00 H new ATOM 0 HB3 ALA A 586 8.051 -4.447 -2.960 1.00 0.00 H new ATOM 603 N LEU A 587 9.702 -2.879 -0.928 1.00 0.00 N ATOM 604 CA LEU A 587 10.412 -1.619 -0.781 1.00 0.00 C ATOM 605 C LEU A 587 11.223 -1.610 0.512 1.00 0.00 C ATOM 606 O LEU A 587 12.340 -1.098 0.556 1.00 0.00 O ATOM 607 CB LEU A 587 9.417 -0.457 -0.811 1.00 0.00 C ATOM 608 CG LEU A 587 8.631 -0.324 -2.121 1.00 0.00 C ATOM 609 CD1 LEU A 587 7.468 0.636 -1.955 1.00 0.00 C ATOM 610 CD2 LEU A 587 9.542 0.142 -3.247 1.00 0.00 C ATOM 0 H LEU A 587 8.733 -2.858 -0.611 1.00 0.00 H new ATOM 0 HA LEU A 587 11.107 -1.503 -1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 587 8.711 -0.579 0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 587 9.958 0.472 -0.631 1.00 0.00 H new ATOM 0 HG LEU A 587 8.234 -1.306 -2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 587 6.924 0.715 -2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 587 6.798 0.265 -1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 587 7.845 1.618 -1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 587 8.966 0.230 -4.168 1.00 0.00 H new ATOM 0 HD22 LEU A 587 9.969 1.112 -2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 587 10.344 -0.582 -3.389 1.00 0.00 H new ATOM 622 N GLN A 588 10.671 -2.223 1.549 1.00 0.00 N ATOM 623 CA GLN A 588 11.319 -2.280 2.854 1.00 0.00 C ATOM 624 C GLN A 588 12.575 -3.131 2.805 1.00 0.00 C ATOM 625 O GLN A 588 13.501 -2.911 3.566 1.00 0.00 O ATOM 626 CB GLN A 588 10.359 -2.847 3.902 1.00 0.00 C ATOM 627 CG GLN A 588 9.584 -1.796 4.684 1.00 0.00 C ATOM 628 CD GLN A 588 10.446 -1.082 5.710 1.00 0.00 C ATOM 629 OE1 GLN A 588 11.431 -1.633 6.202 1.00 0.00 O ATOM 630 NE2 GLN A 588 10.061 0.129 6.073 1.00 0.00 N ATOM 0 H GLN A 588 9.766 -2.693 1.512 1.00 0.00 H new ATOM 0 HA GLN A 588 11.598 -1.263 3.130 1.00 0.00 H new ATOM 0 HB2 GLN A 588 9.649 -3.509 3.406 1.00 0.00 H new ATOM 0 HB3 GLN A 588 10.927 -3.458 4.604 1.00 0.00 H new ATOM 0 HG2 GLN A 588 9.169 -1.064 3.991 1.00 0.00 H new ATOM 0 HG3 GLN A 588 8.742 -2.270 5.188 1.00 0.00 H new ATOM 0 HE21 GLN A 588 9.239 0.553 5.643 1.00 0.00 H new ATOM 0 HE22 GLN A 588 10.586 0.639 6.783 1.00 0.00 H new ATOM 639 N THR A 589 12.603 -4.107 1.907 1.00 0.00 N ATOM 640 CA THR A 589 13.759 -4.982 1.787 1.00 0.00 C ATOM 641 C THR A 589 14.924 -4.259 1.107 1.00 0.00 C ATOM 642 O THR A 589 16.086 -4.612 1.298 1.00 0.00 O ATOM 643 CB THR A 589 13.401 -6.272 1.013 1.00 0.00 C ATOM 644 OG1 THR A 589 14.433 -7.252 1.166 1.00 0.00 O ATOM 645 CG2 THR A 589 13.195 -5.992 -0.467 1.00 0.00 C ATOM 0 H THR A 589 11.844 -4.311 1.256 1.00 0.00 H new ATOM 0 HA THR A 589 14.068 -5.262 2.794 1.00 0.00 H new ATOM 0 HB THR A 589 12.469 -6.653 1.431 1.00 0.00 H new ATOM 0 HG1 THR A 589 14.190 -8.063 0.672 1.00 0.00 H new ATOM 0 HG21 THR A 589 12.945 -6.920 -0.981 1.00 0.00 H new ATOM 0 HG22 THR A 589 12.382 -5.277 -0.592 1.00 0.00 H new ATOM 0 HG23 THR A 589 14.110 -5.578 -0.890 1.00 0.00 H new ATOM 653 N GLN A 590 14.609 -3.235 0.327 1.00 0.00 N ATOM 654 CA GLN A 590 15.635 -2.417 -0.303 1.00 0.00 C ATOM 655 C GLN A 590 16.229 -1.498 0.745 1.00 0.00 C ATOM 656 O GLN A 590 17.443 -1.349 0.859 1.00 0.00 O ATOM 657 CB GLN A 590 15.039 -1.573 -1.430 1.00 0.00 C ATOM 658 CG GLN A 590 14.103 -2.337 -2.350 1.00 0.00 C ATOM 659 CD GLN A 590 14.805 -3.382 -3.198 1.00 0.00 C ATOM 660 OE1 GLN A 590 15.831 -3.942 -2.807 1.00 0.00 O ATOM 661 NE2 GLN A 590 14.248 -3.662 -4.362 1.00 0.00 N ATOM 0 H GLN A 590 13.652 -2.951 0.115 1.00 0.00 H new ATOM 0 HA GLN A 590 16.401 -3.067 -0.725 1.00 0.00 H new ATOM 0 HB2 GLN A 590 14.497 -0.734 -0.993 1.00 0.00 H new ATOM 0 HB3 GLN A 590 15.851 -1.153 -2.023 1.00 0.00 H new ATOM 0 HG2 GLN A 590 13.335 -2.824 -1.750 1.00 0.00 H new ATOM 0 HG3 GLN A 590 13.595 -1.630 -3.006 1.00 0.00 H new ATOM 0 HE21 GLN A 590 13.398 -3.177 -4.651 1.00 0.00 H new ATOM 0 HE22 GLN A 590 14.667 -4.363 -4.972 1.00 0.00 H new ATOM 670 N VAL A 591 15.331 -0.909 1.514 1.00 0.00 N ATOM 671 CA VAL A 591 15.671 0.015 2.581 1.00 0.00 C ATOM 672 C VAL A 591 16.260 -0.738 3.778 1.00 0.00 C ATOM 673 O VAL A 591 16.924 -0.155 4.637 1.00 0.00 O ATOM 674 CB VAL A 591 14.396 0.790 2.986 1.00 0.00 C ATOM 675 CG1 VAL A 591 14.663 1.829 4.063 1.00 0.00 C ATOM 676 CG2 VAL A 591 13.785 1.441 1.752 1.00 0.00 C ATOM 0 H VAL A 591 14.328 -1.062 1.413 1.00 0.00 H new ATOM 0 HA VAL A 591 16.428 0.719 2.235 1.00 0.00 H new ATOM 0 HB VAL A 591 13.693 0.075 3.413 1.00 0.00 H new ATOM 0 HG11 VAL A 591 13.735 2.344 4.310 1.00 0.00 H new ATOM 0 HG12 VAL A 591 15.053 1.337 4.954 1.00 0.00 H new ATOM 0 HG13 VAL A 591 15.393 2.552 3.698 1.00 0.00 H new ATOM 0 HG21 VAL A 591 12.886 1.988 2.036 1.00 0.00 H new ATOM 0 HG22 VAL A 591 14.504 2.131 1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 591 13.527 0.671 1.025 1.00 0.00 H new ATOM 686 N ALA A 592 16.014 -2.046 3.813 1.00 0.00 N ATOM 687 CA ALA A 592 16.569 -2.912 4.844 1.00 0.00 C ATOM 688 C ALA A 592 18.080 -3.010 4.698 1.00 0.00 C ATOM 689 O ALA A 592 18.807 -3.128 5.687 1.00 0.00 O ATOM 690 CB ALA A 592 15.953 -4.299 4.774 1.00 0.00 C ATOM 0 H ALA A 592 15.429 -2.530 3.132 1.00 0.00 H new ATOM 0 HA ALA A 592 16.333 -2.475 5.814 1.00 0.00 H new ATOM 0 HB1 ALA A 592 16.383 -4.928 5.554 1.00 0.00 H new ATOM 0 HB2 ALA A 592 14.875 -4.226 4.920 1.00 0.00 H new ATOM 0 HB3 ALA A 592 16.158 -4.739 3.798 1.00 0.00 H new ATOM 696 N ASP A 593 18.541 -2.960 3.454 1.00 0.00 N ATOM 697 CA ASP A 593 19.962 -3.028 3.154 1.00 0.00 C ATOM 698 C ASP A 593 20.665 -1.781 3.679 1.00 0.00 C ATOM 699 O ASP A 593 20.281 -0.656 3.363 1.00 0.00 O ATOM 700 CB ASP A 593 20.168 -3.165 1.642 1.00 0.00 C ATOM 701 CG ASP A 593 21.626 -3.298 1.251 1.00 0.00 C ATOM 702 OD1 ASP A 593 22.294 -2.262 1.088 1.00 0.00 O ATOM 703 OD2 ASP A 593 22.106 -4.437 1.086 1.00 0.00 O ATOM 0 H ASP A 593 17.944 -2.872 2.632 1.00 0.00 H new ATOM 0 HA ASP A 593 20.392 -3.901 3.645 1.00 0.00 H new ATOM 0 HB2 ASP A 593 19.621 -4.037 1.284 1.00 0.00 H new ATOM 0 HB3 ASP A 593 19.742 -2.295 1.143 1.00 0.00 H new ATOM 708 N ALA A 594 21.691 -1.990 4.491 1.00 0.00 N ATOM 709 CA ALA A 594 22.389 -0.894 5.154 1.00 0.00 C ATOM 710 C ALA A 594 23.126 -0.002 4.159 1.00 0.00 C ATOM 711 O ALA A 594 23.437 1.153 4.458 1.00 0.00 O ATOM 712 CB ALA A 594 23.352 -1.440 6.199 1.00 0.00 C ATOM 0 H ALA A 594 22.062 -2.915 4.709 1.00 0.00 H new ATOM 0 HA ALA A 594 21.640 -0.276 5.648 1.00 0.00 H new ATOM 0 HB1 ALA A 594 23.867 -0.612 6.687 1.00 0.00 H new ATOM 0 HB2 ALA A 594 22.796 -2.011 6.943 1.00 0.00 H new ATOM 0 HB3 ALA A 594 24.083 -2.088 5.716 1.00 0.00 H new ATOM 718 N SER A 595 23.410 -0.540 2.984 1.00 0.00 N ATOM 719 CA SER A 595 24.100 0.206 1.946 1.00 0.00 C ATOM 720 C SER A 595 23.116 0.984 1.069 1.00 0.00 C ATOM 721 O SER A 595 23.527 1.761 0.209 1.00 0.00 O ATOM 722 CB SER A 595 24.950 -0.744 1.103 1.00 0.00 C ATOM 723 OG SER A 595 25.857 -1.461 1.922 1.00 0.00 O ATOM 0 H SER A 595 23.171 -1.497 2.725 1.00 0.00 H new ATOM 0 HA SER A 595 24.754 0.936 2.423 1.00 0.00 H new ATOM 0 HB2 SER A 595 24.305 -1.441 0.569 1.00 0.00 H new ATOM 0 HB3 SER A 595 25.500 -0.178 0.351 1.00 0.00 H new ATOM 0 HG SER A 595 26.392 -2.066 1.366 1.00 0.00 H new ATOM 729 N PHE A 596 21.819 0.769 1.286 1.00 0.00 N ATOM 730 CA PHE A 596 20.783 1.489 0.545 1.00 0.00 C ATOM 731 C PHE A 596 20.992 2.996 0.647 1.00 0.00 C ATOM 732 O PHE A 596 21.038 3.696 -0.361 1.00 0.00 O ATOM 733 CB PHE A 596 19.391 1.119 1.073 1.00 0.00 C ATOM 734 CG PHE A 596 18.292 2.029 0.593 1.00 0.00 C ATOM 735 CD1 PHE A 596 17.818 1.949 -0.707 1.00 0.00 C ATOM 736 CD2 PHE A 596 17.732 2.965 1.449 1.00 0.00 C ATOM 737 CE1 PHE A 596 16.814 2.790 -1.144 1.00 0.00 C ATOM 738 CE2 PHE A 596 16.728 3.806 1.017 1.00 0.00 C ATOM 739 CZ PHE A 596 16.267 3.717 -0.279 1.00 0.00 C ATOM 0 H PHE A 596 21.460 0.102 1.969 1.00 0.00 H new ATOM 0 HA PHE A 596 20.854 1.198 -0.503 1.00 0.00 H new ATOM 0 HB2 PHE A 596 19.160 0.097 0.773 1.00 0.00 H new ATOM 0 HB3 PHE A 596 19.411 1.134 2.163 1.00 0.00 H new ATOM 0 HD1 PHE A 596 18.238 1.221 -1.385 1.00 0.00 H new ATOM 0 HD2 PHE A 596 18.086 3.036 2.467 1.00 0.00 H new ATOM 0 HE1 PHE A 596 16.457 2.723 -2.161 1.00 0.00 H new ATOM 0 HE2 PHE A 596 16.304 4.533 1.693 1.00 0.00 H new ATOM 0 HZ PHE A 596 15.478 4.372 -0.618 1.00 0.00 H new ATOM 749 N PHE A 597 21.147 3.482 1.869 1.00 0.00 N ATOM 750 CA PHE A 597 21.311 4.913 2.117 1.00 0.00 C ATOM 751 C PHE A 597 22.672 5.429 1.648 1.00 0.00 C ATOM 752 O PHE A 597 22.972 6.613 1.780 1.00 0.00 O ATOM 753 CB PHE A 597 21.123 5.216 3.600 1.00 0.00 C ATOM 754 CG PHE A 597 19.753 4.872 4.112 1.00 0.00 C ATOM 755 CD1 PHE A 597 18.714 5.782 4.006 1.00 0.00 C ATOM 756 CD2 PHE A 597 19.503 3.640 4.695 1.00 0.00 C ATOM 757 CE1 PHE A 597 17.451 5.469 4.473 1.00 0.00 C ATOM 758 CE2 PHE A 597 18.241 3.322 5.162 1.00 0.00 C ATOM 759 CZ PHE A 597 17.215 4.238 5.050 1.00 0.00 C ATOM 0 H PHE A 597 21.163 2.906 2.711 1.00 0.00 H new ATOM 0 HA PHE A 597 20.546 5.431 1.538 1.00 0.00 H new ATOM 0 HB2 PHE A 597 21.866 4.662 4.173 1.00 0.00 H new ATOM 0 HB3 PHE A 597 21.312 6.275 3.773 1.00 0.00 H new ATOM 0 HD1 PHE A 597 18.893 6.746 3.554 1.00 0.00 H new ATOM 0 HD2 PHE A 597 20.303 2.920 4.786 1.00 0.00 H new ATOM 0 HE1 PHE A 597 16.649 6.188 4.386 1.00 0.00 H new ATOM 0 HE2 PHE A 597 18.059 2.358 5.614 1.00 0.00 H new ATOM 0 HZ PHE A 597 16.228 3.992 5.414 1.00 0.00 H new ATOM 769 N SER A 598 23.493 4.540 1.101 1.00 0.00 N ATOM 770 CA SER A 598 24.766 4.937 0.516 1.00 0.00 C ATOM 771 C SER A 598 24.529 5.445 -0.903 1.00 0.00 C ATOM 772 O SER A 598 25.399 6.067 -1.517 1.00 0.00 O ATOM 773 CB SER A 598 25.741 3.752 0.520 1.00 0.00 C ATOM 774 OG SER A 598 26.995 4.089 -0.050 1.00 0.00 O ATOM 0 H SER A 598 23.299 3.540 1.051 1.00 0.00 H new ATOM 0 HA SER A 598 25.210 5.738 1.107 1.00 0.00 H new ATOM 0 HB2 SER A 598 25.889 3.409 1.544 1.00 0.00 H new ATOM 0 HB3 SER A 598 25.303 2.922 -0.034 1.00 0.00 H new ATOM 0 HG SER A 598 26.885 4.851 -0.657 1.00 0.00 H new ATOM 780 N GLN A 599 23.333 5.173 -1.412 1.00 0.00 N ATOM 781 CA GLN A 599 22.929 5.651 -2.718 1.00 0.00 C ATOM 782 C GLN A 599 22.585 7.127 -2.658 1.00 0.00 C ATOM 783 O GLN A 599 22.191 7.641 -1.609 1.00 0.00 O ATOM 784 CB GLN A 599 21.723 4.862 -3.230 1.00 0.00 C ATOM 785 CG GLN A 599 22.054 3.436 -3.617 1.00 0.00 C ATOM 786 CD GLN A 599 20.828 2.620 -3.974 1.00 0.00 C ATOM 787 OE1 GLN A 599 20.210 1.997 -3.112 1.00 0.00 O ATOM 788 NE2 GLN A 599 20.477 2.604 -5.248 1.00 0.00 N ATOM 0 H GLN A 599 22.625 4.619 -0.931 1.00 0.00 H new ATOM 0 HA GLN A 599 23.763 5.507 -3.405 1.00 0.00 H new ATOM 0 HB2 GLN A 599 20.952 4.851 -2.459 1.00 0.00 H new ATOM 0 HB3 GLN A 599 21.303 5.376 -4.094 1.00 0.00 H new ATOM 0 HG2 GLN A 599 22.738 3.445 -4.466 1.00 0.00 H new ATOM 0 HG3 GLN A 599 22.577 2.953 -2.792 1.00 0.00 H new ATOM 0 HE21 GLN A 599 21.016 3.135 -5.932 1.00 0.00 H new ATOM 0 HE22 GLN A 599 19.667 2.061 -5.547 1.00 0.00 H new ATOM 797 N PRO A 600 22.762 7.821 -3.786 1.00 0.00 N ATOM 798 CA PRO A 600 22.376 9.223 -3.936 1.00 0.00 C ATOM 799 C PRO A 600 20.960 9.496 -3.426 1.00 0.00 C ATOM 800 O PRO A 600 20.061 8.662 -3.553 1.00 0.00 O ATOM 801 CB PRO A 600 22.442 9.439 -5.448 1.00 0.00 C ATOM 802 CG PRO A 600 23.454 8.462 -5.933 1.00 0.00 C ATOM 803 CD PRO A 600 23.392 7.283 -5.003 1.00 0.00 C ATOM 0 HA PRO A 600 23.020 9.888 -3.361 1.00 0.00 H new ATOM 0 HB2 PRO A 600 21.472 9.266 -5.914 1.00 0.00 H new ATOM 0 HB3 PRO A 600 22.734 10.461 -5.688 1.00 0.00 H new ATOM 0 HG2 PRO A 600 23.240 8.159 -6.958 1.00 0.00 H new ATOM 0 HG3 PRO A 600 24.450 8.904 -5.933 1.00 0.00 H new ATOM 0 HD2 PRO A 600 22.806 6.469 -5.429 1.00 0.00 H new ATOM 0 HD3 PRO A 600 24.386 6.886 -4.796 1.00 0.00 H new ATOM 811 N HIS A 601 20.793 10.686 -2.856 1.00 0.00 N ATOM 812 CA HIS A 601 19.532 11.135 -2.253 1.00 0.00 C ATOM 813 C HIS A 601 18.357 10.984 -3.207 1.00 0.00 C ATOM 814 O HIS A 601 17.250 10.697 -2.780 1.00 0.00 O ATOM 815 CB HIS A 601 19.691 12.604 -1.836 1.00 0.00 C ATOM 816 CG HIS A 601 18.514 13.224 -1.143 1.00 0.00 C ATOM 817 ND1 HIS A 601 18.392 13.270 0.230 1.00 0.00 N ATOM 818 CD2 HIS A 601 17.435 13.877 -1.636 1.00 0.00 C ATOM 819 CE1 HIS A 601 17.293 13.921 0.550 1.00 0.00 C ATOM 820 NE2 HIS A 601 16.695 14.301 -0.562 1.00 0.00 N ATOM 0 H HIS A 601 21.539 11.380 -2.797 1.00 0.00 H new ATOM 0 HA HIS A 601 19.317 10.511 -1.386 1.00 0.00 H new ATOM 0 HB2 HIS A 601 20.557 12.682 -1.178 1.00 0.00 H new ATOM 0 HB3 HIS A 601 19.913 13.191 -2.727 1.00 0.00 H new ATOM 0 HD2 HIS A 601 17.201 14.034 -2.679 1.00 0.00 H new ATOM 0 HE1 HIS A 601 16.941 14.111 1.553 1.00 0.00 H new ATOM 0 HE2 HIS A 601 15.822 14.826 -0.615 1.00 0.00 H new ATOM 829 N GLU A 602 18.600 11.172 -4.491 1.00 0.00 N ATOM 830 CA GLU A 602 17.535 11.090 -5.478 1.00 0.00 C ATOM 831 C GLU A 602 17.153 9.637 -5.762 1.00 0.00 C ATOM 832 O GLU A 602 16.058 9.362 -6.256 1.00 0.00 O ATOM 833 CB GLU A 602 17.965 11.808 -6.751 1.00 0.00 C ATOM 834 CG GLU A 602 18.255 13.281 -6.516 1.00 0.00 C ATOM 835 CD GLU A 602 18.927 13.946 -7.693 1.00 0.00 C ATOM 836 OE1 GLU A 602 20.154 13.778 -7.847 1.00 0.00 O ATOM 837 OE2 GLU A 602 18.238 14.642 -8.464 1.00 0.00 O ATOM 0 H GLU A 602 19.521 11.382 -4.876 1.00 0.00 H new ATOM 0 HA GLU A 602 16.647 11.581 -5.080 1.00 0.00 H new ATOM 0 HB2 GLU A 602 18.855 11.325 -7.154 1.00 0.00 H new ATOM 0 HB3 GLU A 602 17.181 11.710 -7.502 1.00 0.00 H new ATOM 0 HG2 GLU A 602 17.321 13.799 -6.298 1.00 0.00 H new ATOM 0 HG3 GLU A 602 18.890 13.385 -5.636 1.00 0.00 H new ATOM 844 N GLN A 603 18.050 8.710 -5.436 1.00 0.00 N ATOM 845 CA GLN A 603 17.762 7.281 -5.564 1.00 0.00 C ATOM 846 C GLN A 603 16.997 6.818 -4.344 1.00 0.00 C ATOM 847 O GLN A 603 15.970 6.142 -4.436 1.00 0.00 O ATOM 848 CB GLN A 603 19.049 6.453 -5.633 1.00 0.00 C ATOM 849 CG GLN A 603 20.090 6.972 -6.598 1.00 0.00 C ATOM 850 CD GLN A 603 19.653 6.873 -8.046 1.00 0.00 C ATOM 851 OE1 GLN A 603 18.869 5.999 -8.409 1.00 0.00 O ATOM 852 NE2 GLN A 603 20.171 7.753 -8.885 1.00 0.00 N ATOM 0 H GLN A 603 18.983 8.921 -5.081 1.00 0.00 H new ATOM 0 HA GLN A 603 17.189 7.141 -6.480 1.00 0.00 H new ATOM 0 HB2 GLN A 603 19.489 6.409 -4.637 1.00 0.00 H new ATOM 0 HB3 GLN A 603 18.792 5.432 -5.914 1.00 0.00 H new ATOM 0 HG2 GLN A 603 20.311 8.013 -6.361 1.00 0.00 H new ATOM 0 HG3 GLN A 603 21.015 6.411 -6.464 1.00 0.00 H new ATOM 0 HE21 GLN A 603 20.819 8.463 -8.544 1.00 0.00 H new ATOM 0 HE22 GLN A 603 19.923 7.722 -9.874 1.00 0.00 H new ATOM 861 N THR A 604 17.521 7.200 -3.198 1.00 0.00 N ATOM 862 CA THR A 604 17.019 6.732 -1.932 1.00 0.00 C ATOM 863 C THR A 604 15.669 7.353 -1.606 1.00 0.00 C ATOM 864 O THR A 604 14.738 6.650 -1.228 1.00 0.00 O ATOM 865 CB THR A 604 18.034 7.042 -0.827 1.00 0.00 C ATOM 866 OG1 THR A 604 18.348 8.439 -0.831 1.00 0.00 O ATOM 867 CG2 THR A 604 19.307 6.238 -1.042 1.00 0.00 C ATOM 0 H THR A 604 18.308 7.845 -3.123 1.00 0.00 H new ATOM 0 HA THR A 604 16.876 5.653 -1.997 1.00 0.00 H new ATOM 0 HB THR A 604 17.597 6.770 0.134 1.00 0.00 H new ATOM 0 HG1 THR A 604 18.996 8.631 -0.121 1.00 0.00 H new ATOM 0 HG21 THR A 604 20.020 6.467 -0.250 1.00 0.00 H new ATOM 0 HG22 THR A 604 19.073 5.174 -1.022 1.00 0.00 H new ATOM 0 HG23 THR A 604 19.742 6.496 -2.008 1.00 0.00 H new ATOM 875 N GLN A 605 15.560 8.666 -1.770 1.00 0.00 N ATOM 876 CA GLN A 605 14.296 9.361 -1.555 1.00 0.00 C ATOM 877 C GLN A 605 13.214 8.813 -2.472 1.00 0.00 C ATOM 878 O GLN A 605 12.055 8.741 -2.088 1.00 0.00 O ATOM 879 CB GLN A 605 14.466 10.857 -1.783 1.00 0.00 C ATOM 880 CG GLN A 605 15.172 11.568 -0.649 1.00 0.00 C ATOM 881 CD GLN A 605 14.342 11.646 0.616 1.00 0.00 C ATOM 882 OE1 GLN A 605 13.574 12.589 0.809 1.00 0.00 O ATOM 883 NE2 GLN A 605 14.514 10.679 1.497 1.00 0.00 N ATOM 0 H GLN A 605 16.331 9.271 -2.051 1.00 0.00 H new ATOM 0 HA GLN A 605 13.990 9.194 -0.522 1.00 0.00 H new ATOM 0 HB2 GLN A 605 15.027 11.014 -2.704 1.00 0.00 H new ATOM 0 HB3 GLN A 605 13.484 11.308 -1.927 1.00 0.00 H new ATOM 0 HG2 GLN A 605 16.107 11.052 -0.431 1.00 0.00 H new ATOM 0 HG3 GLN A 605 15.432 12.577 -0.968 1.00 0.00 H new ATOM 0 HE21 GLN A 605 15.161 9.916 1.297 1.00 0.00 H new ATOM 0 HE22 GLN A 605 14.000 10.695 2.378 1.00 0.00 H new ATOM 892 N LYS A 606 13.606 8.428 -3.679 1.00 0.00 N ATOM 893 CA LYS A 606 12.706 7.766 -4.610 1.00 0.00 C ATOM 894 C LYS A 606 12.069 6.545 -3.962 1.00 0.00 C ATOM 895 O LYS A 606 10.850 6.385 -3.953 1.00 0.00 O ATOM 896 CB LYS A 606 13.478 7.335 -5.831 1.00 0.00 C ATOM 897 CG LYS A 606 12.595 6.792 -6.920 1.00 0.00 C ATOM 898 CD LYS A 606 13.391 5.868 -7.791 1.00 0.00 C ATOM 899 CE LYS A 606 12.584 5.325 -8.956 1.00 0.00 C ATOM 900 NZ LYS A 606 11.383 4.579 -8.498 1.00 0.00 N ATOM 0 H LYS A 606 14.551 8.565 -4.038 1.00 0.00 H new ATOM 0 HA LYS A 606 11.919 8.465 -4.893 1.00 0.00 H new ATOM 0 HB2 LYS A 606 14.042 8.184 -6.217 1.00 0.00 H new ATOM 0 HB3 LYS A 606 14.204 6.574 -5.546 1.00 0.00 H new ATOM 0 HG2 LYS A 606 11.748 6.261 -6.486 1.00 0.00 H new ATOM 0 HG3 LYS A 606 12.188 7.610 -7.515 1.00 0.00 H new ATOM 0 HD2 LYS A 606 14.264 6.397 -8.174 1.00 0.00 H new ATOM 0 HD3 LYS A 606 13.760 5.037 -7.191 1.00 0.00 H new ATOM 0 HE2 LYS A 606 12.276 6.149 -9.600 1.00 0.00 H new ATOM 0 HE3 LYS A 606 13.212 4.668 -9.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 10.954 4.083 -9.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 11.660 3.886 -7.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 10.694 5.245 -8.094 1.00 0.00 H new ATOM 914 N VAL A 607 12.913 5.694 -3.406 1.00 0.00 N ATOM 915 CA VAL A 607 12.464 4.458 -2.791 1.00 0.00 C ATOM 916 C VAL A 607 11.773 4.729 -1.453 1.00 0.00 C ATOM 917 O VAL A 607 10.718 4.170 -1.165 1.00 0.00 O ATOM 918 CB VAL A 607 13.651 3.498 -2.579 1.00 0.00 C ATOM 919 CG1 VAL A 607 13.176 2.176 -1.996 1.00 0.00 C ATOM 920 CG2 VAL A 607 14.397 3.277 -3.890 1.00 0.00 C ATOM 0 H VAL A 607 13.922 5.839 -3.368 1.00 0.00 H new ATOM 0 HA VAL A 607 11.745 3.993 -3.465 1.00 0.00 H new ATOM 0 HB VAL A 607 14.339 3.952 -1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 607 14.030 1.513 -1.854 1.00 0.00 H new ATOM 0 HG12 VAL A 607 12.692 2.355 -1.036 1.00 0.00 H new ATOM 0 HG13 VAL A 607 12.465 1.711 -2.679 1.00 0.00 H new ATOM 0 HG21 VAL A 607 15.232 2.597 -3.723 1.00 0.00 H new ATOM 0 HG22 VAL A 607 13.719 2.845 -4.626 1.00 0.00 H new ATOM 0 HG23 VAL A 607 14.774 4.231 -4.259 1.00 0.00 H new ATOM 930 N LEU A 608 12.366 5.610 -0.654 1.00 0.00 N ATOM 931 CA LEU A 608 11.832 5.953 0.663 1.00 0.00 C ATOM 932 C LEU A 608 10.442 6.574 0.555 1.00 0.00 C ATOM 933 O LEU A 608 9.557 6.292 1.369 1.00 0.00 O ATOM 934 CB LEU A 608 12.778 6.923 1.380 1.00 0.00 C ATOM 935 CG LEU A 608 14.149 6.350 1.738 1.00 0.00 C ATOM 936 CD1 LEU A 608 15.049 7.436 2.301 1.00 0.00 C ATOM 937 CD2 LEU A 608 14.009 5.210 2.734 1.00 0.00 C ATOM 0 H LEU A 608 13.224 6.104 -0.897 1.00 0.00 H new ATOM 0 HA LEU A 608 11.750 5.032 1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 608 12.922 7.799 0.748 1.00 0.00 H new ATOM 0 HB3 LEU A 608 12.295 7.266 2.295 1.00 0.00 H new ATOM 0 HG LEU A 608 14.605 5.959 0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 608 16.021 7.010 2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 608 15.178 8.223 1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 608 14.595 7.855 3.199 1.00 0.00 H new ATOM 0 HD21 LEU A 608 14.996 4.815 2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 608 13.532 5.577 3.643 1.00 0.00 H new ATOM 0 HD23 LEU A 608 13.399 4.419 2.298 1.00 0.00 H new ATOM 949 N ALA A 609 10.254 7.413 -0.455 1.00 0.00 N ATOM 950 CA ALA A 609 8.983 8.096 -0.658 1.00 0.00 C ATOM 951 C ALA A 609 7.912 7.118 -1.129 1.00 0.00 C ATOM 952 O ALA A 609 6.762 7.188 -0.692 1.00 0.00 O ATOM 953 CB ALA A 609 9.146 9.237 -1.652 1.00 0.00 C ATOM 0 H ALA A 609 10.968 7.637 -1.148 1.00 0.00 H new ATOM 0 HA ALA A 609 8.662 8.514 0.296 1.00 0.00 H new ATOM 0 HB1 ALA A 609 8.188 9.737 -1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 609 9.875 9.951 -1.270 1.00 0.00 H new ATOM 0 HB3 ALA A 609 9.492 8.841 -2.607 1.00 0.00 H new ATOM 959 N ASP A 610 8.295 6.201 -2.008 1.00 0.00 N ATOM 960 CA ASP A 610 7.367 5.199 -2.520 1.00 0.00 C ATOM 961 C ASP A 610 7.042 4.184 -1.429 1.00 0.00 C ATOM 962 O ASP A 610 5.909 3.714 -1.318 1.00 0.00 O ATOM 963 CB ASP A 610 7.958 4.502 -3.749 1.00 0.00 C ATOM 964 CG ASP A 610 6.944 3.639 -4.484 1.00 0.00 C ATOM 965 OD1 ASP A 610 5.851 4.147 -4.829 1.00 0.00 O ATOM 966 OD2 ASP A 610 7.249 2.462 -4.759 1.00 0.00 O ATOM 0 H ASP A 610 9.241 6.130 -2.382 1.00 0.00 H new ATOM 0 HA ASP A 610 6.444 5.694 -2.821 1.00 0.00 H new ATOM 0 HB2 ASP A 610 8.351 5.254 -4.433 1.00 0.00 H new ATOM 0 HB3 ASP A 610 8.799 3.882 -3.439 1.00 0.00 H new ATOM 971 N MET A 611 8.044 3.874 -0.604 1.00 0.00 N ATOM 972 CA MET A 611 7.864 2.991 0.548 1.00 0.00 C ATOM 973 C MET A 611 6.828 3.556 1.507 1.00 0.00 C ATOM 974 O MET A 611 5.876 2.869 1.885 1.00 0.00 O ATOM 975 CB MET A 611 9.194 2.779 1.285 1.00 0.00 C ATOM 976 CG MET A 611 9.041 2.018 2.591 1.00 0.00 C ATOM 977 SD MET A 611 10.613 1.754 3.431 1.00 0.00 S ATOM 978 CE MET A 611 11.027 3.427 3.911 1.00 0.00 C ATOM 0 H MET A 611 8.995 4.225 -0.715 1.00 0.00 H new ATOM 0 HA MET A 611 7.510 2.029 0.177 1.00 0.00 H new ATOM 0 HB2 MET A 611 9.880 2.236 0.634 1.00 0.00 H new ATOM 0 HB3 MET A 611 9.648 3.749 1.488 1.00 0.00 H new ATOM 0 HG2 MET A 611 8.369 2.568 3.250 1.00 0.00 H new ATOM 0 HG3 MET A 611 8.574 1.054 2.392 1.00 0.00 H new ATOM 0 HE1 MET A 611 11.808 3.405 4.671 1.00 0.00 H new ATOM 0 HE2 MET A 611 11.384 3.977 3.041 1.00 0.00 H new ATOM 0 HE3 MET A 611 10.142 3.920 4.314 1.00 0.00 H new ATOM 988 N ALA A 612 7.009 4.814 1.886 1.00 0.00 N ATOM 989 CA ALA A 612 6.108 5.459 2.828 1.00 0.00 C ATOM 990 C ALA A 612 4.711 5.613 2.235 1.00 0.00 C ATOM 991 O ALA A 612 3.713 5.551 2.950 1.00 0.00 O ATOM 992 CB ALA A 612 6.664 6.810 3.254 1.00 0.00 C ATOM 0 H ALA A 612 7.771 5.406 1.555 1.00 0.00 H new ATOM 0 HA ALA A 612 6.027 4.823 3.710 1.00 0.00 H new ATOM 0 HB1 ALA A 612 5.978 7.280 3.959 1.00 0.00 H new ATOM 0 HB2 ALA A 612 7.634 6.670 3.730 1.00 0.00 H new ATOM 0 HB3 ALA A 612 6.778 7.449 2.378 1.00 0.00 H new ATOM 998 N ALA A 613 4.645 5.794 0.925 1.00 0.00 N ATOM 999 CA ALA A 613 3.368 5.917 0.241 1.00 0.00 C ATOM 1000 C ALA A 613 2.648 4.575 0.193 1.00 0.00 C ATOM 1001 O ALA A 613 1.423 4.519 0.109 1.00 0.00 O ATOM 1002 CB ALA A 613 3.570 6.458 -1.163 1.00 0.00 C ATOM 0 H ALA A 613 5.460 5.859 0.315 1.00 0.00 H new ATOM 0 HA ALA A 613 2.748 6.618 0.800 1.00 0.00 H new ATOM 0 HB1 ALA A 613 2.605 6.544 -1.662 1.00 0.00 H new ATOM 0 HB2 ALA A 613 4.040 7.440 -1.110 1.00 0.00 H new ATOM 0 HB3 ALA A 613 4.210 5.779 -1.726 1.00 0.00 H new ATOM 1008 N ALA A 614 3.417 3.496 0.256 1.00 0.00 N ATOM 1009 CA ALA A 614 2.860 2.154 0.214 1.00 0.00 C ATOM 1010 C ALA A 614 2.237 1.774 1.551 1.00 0.00 C ATOM 1011 O ALA A 614 1.100 1.313 1.603 1.00 0.00 O ATOM 1012 CB ALA A 614 3.933 1.150 -0.174 1.00 0.00 C ATOM 0 H ALA A 614 4.433 3.527 0.337 1.00 0.00 H new ATOM 0 HA ALA A 614 2.073 2.139 -0.540 1.00 0.00 H new ATOM 0 HB1 ALA A 614 3.502 0.149 -0.202 1.00 0.00 H new ATOM 0 HB2 ALA A 614 4.328 1.402 -1.158 1.00 0.00 H new ATOM 0 HB3 ALA A 614 4.739 1.178 0.559 1.00 0.00 H new ATOM 1018 N GLU A 615 2.985 1.982 2.626 1.00 0.00 N ATOM 1019 CA GLU A 615 2.521 1.634 3.968 1.00 0.00 C ATOM 1020 C GLU A 615 1.266 2.417 4.349 1.00 0.00 C ATOM 1021 O GLU A 615 0.314 1.847 4.888 1.00 0.00 O ATOM 1022 CB GLU A 615 3.633 1.877 4.992 1.00 0.00 C ATOM 1023 CG GLU A 615 4.237 3.265 4.912 1.00 0.00 C ATOM 1024 CD GLU A 615 5.278 3.521 5.977 1.00 0.00 C ATOM 1025 OE1 GLU A 615 4.905 3.966 7.076 1.00 0.00 O ATOM 1026 OE2 GLU A 615 6.475 3.285 5.714 1.00 0.00 O ATOM 0 H GLU A 615 3.919 2.391 2.598 1.00 0.00 H new ATOM 0 HA GLU A 615 2.262 0.575 3.968 1.00 0.00 H new ATOM 0 HB2 GLU A 615 3.234 1.721 5.994 1.00 0.00 H new ATOM 0 HB3 GLU A 615 4.420 1.138 4.844 1.00 0.00 H new ATOM 0 HG2 GLU A 615 4.690 3.402 3.930 1.00 0.00 H new ATOM 0 HG3 GLU A 615 3.443 4.006 5.003 1.00 0.00 H new ATOM 1033 N GLN A 616 1.255 3.714 4.058 1.00 0.00 N ATOM 1034 CA GLN A 616 0.105 4.539 4.390 1.00 0.00 C ATOM 1035 C GLN A 616 -1.087 4.159 3.525 1.00 0.00 C ATOM 1036 O GLN A 616 -2.216 4.097 4.006 1.00 0.00 O ATOM 1037 CB GLN A 616 0.429 6.031 4.249 1.00 0.00 C ATOM 1038 CG GLN A 616 0.784 6.467 2.836 1.00 0.00 C ATOM 1039 CD GLN A 616 1.178 7.928 2.763 1.00 0.00 C ATOM 1040 OE1 GLN A 616 0.948 8.595 1.754 1.00 0.00 O ATOM 1041 NE2 GLN A 616 1.800 8.430 3.819 1.00 0.00 N ATOM 0 H GLN A 616 2.020 4.209 3.599 1.00 0.00 H new ATOM 0 HA GLN A 616 -0.152 4.356 5.433 1.00 0.00 H new ATOM 0 HB2 GLN A 616 -0.429 6.610 4.590 1.00 0.00 H new ATOM 0 HB3 GLN A 616 1.261 6.274 4.911 1.00 0.00 H new ATOM 0 HG2 GLN A 616 1.605 5.853 2.465 1.00 0.00 H new ATOM 0 HG3 GLN A 616 -0.068 6.290 2.180 1.00 0.00 H new ATOM 0 HE21 GLN A 616 1.972 7.844 4.636 1.00 0.00 H new ATOM 0 HE22 GLN A 616 2.107 9.403 3.815 1.00 0.00 H new ATOM 1050 N GLU A 617 -0.830 3.866 2.254 1.00 0.00 N ATOM 1051 CA GLU A 617 -1.891 3.461 1.347 1.00 0.00 C ATOM 1052 C GLU A 617 -2.483 2.139 1.797 1.00 0.00 C ATOM 1053 O GLU A 617 -3.690 1.944 1.740 1.00 0.00 O ATOM 1054 CB GLU A 617 -1.374 3.310 -0.079 1.00 0.00 C ATOM 1055 CG GLU A 617 -2.480 3.083 -1.093 1.00 0.00 C ATOM 1056 CD GLU A 617 -3.090 4.380 -1.580 1.00 0.00 C ATOM 1057 OE1 GLU A 617 -2.439 5.083 -2.381 1.00 0.00 O ATOM 1058 OE2 GLU A 617 -4.222 4.702 -1.172 1.00 0.00 O ATOM 0 H GLU A 617 0.099 3.902 1.834 1.00 0.00 H new ATOM 0 HA GLU A 617 -2.654 4.239 1.364 1.00 0.00 H new ATOM 0 HB2 GLU A 617 -0.816 4.205 -0.353 1.00 0.00 H new ATOM 0 HB3 GLU A 617 -0.675 2.474 -0.119 1.00 0.00 H new ATOM 0 HG2 GLU A 617 -2.082 2.530 -1.944 1.00 0.00 H new ATOM 0 HG3 GLU A 617 -3.258 2.464 -0.646 1.00 0.00 H new ATOM 1065 N LEU A 618 -1.615 1.242 2.247 1.00 0.00 N ATOM 1066 CA LEU A 618 -2.027 -0.081 2.681 1.00 0.00 C ATOM 1067 C LEU A 618 -3.094 0.006 3.763 1.00 0.00 C ATOM 1068 O LEU A 618 -4.170 -0.568 3.627 1.00 0.00 O ATOM 1069 CB LEU A 618 -0.813 -0.863 3.190 1.00 0.00 C ATOM 1070 CG LEU A 618 -1.104 -2.283 3.670 1.00 0.00 C ATOM 1071 CD1 LEU A 618 -1.730 -3.109 2.563 1.00 0.00 C ATOM 1072 CD2 LEU A 618 0.164 -2.949 4.168 1.00 0.00 C ATOM 0 H LEU A 618 -0.612 1.412 2.320 1.00 0.00 H new ATOM 0 HA LEU A 618 -2.457 -0.605 1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 618 -0.073 -0.912 2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 618 -0.361 -0.306 4.010 1.00 0.00 H new ATOM 0 HG LEU A 618 -1.812 -2.221 4.496 1.00 0.00 H new ATOM 0 HD11 LEU A 618 -1.928 -4.117 2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 618 -2.666 -2.646 2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 618 -1.047 -3.159 1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 618 -0.064 -3.960 4.506 1.00 0.00 H new ATOM 0 HD22 LEU A 618 0.894 -2.993 3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 618 0.575 -2.374 4.997 1.00 0.00 H new ATOM 1084 N GLU A 619 -2.809 0.743 4.823 1.00 0.00 N ATOM 1085 CA GLU A 619 -3.744 0.848 5.935 1.00 0.00 C ATOM 1086 C GLU A 619 -4.963 1.696 5.575 1.00 0.00 C ATOM 1087 O GLU A 619 -6.075 1.394 6.004 1.00 0.00 O ATOM 1088 CB GLU A 619 -3.048 1.411 7.170 1.00 0.00 C ATOM 1089 CG GLU A 619 -2.273 2.684 6.903 1.00 0.00 C ATOM 1090 CD GLU A 619 -1.711 3.279 8.172 1.00 0.00 C ATOM 1091 OE1 GLU A 619 -0.694 2.762 8.681 1.00 0.00 O ATOM 1092 OE2 GLU A 619 -2.299 4.257 8.683 1.00 0.00 O ATOM 0 H GLU A 619 -1.946 1.274 4.939 1.00 0.00 H new ATOM 0 HA GLU A 619 -4.099 -0.158 6.159 1.00 0.00 H new ATOM 0 HB2 GLU A 619 -3.794 1.605 7.940 1.00 0.00 H new ATOM 0 HB3 GLU A 619 -2.368 0.658 7.568 1.00 0.00 H new ATOM 0 HG2 GLU A 619 -1.459 2.474 6.209 1.00 0.00 H new ATOM 0 HG3 GLU A 619 -2.925 3.411 6.419 1.00 0.00 H new ATOM 1099 N GLN A 620 -4.763 2.751 4.790 1.00 0.00 N ATOM 1100 CA GLN A 620 -5.877 3.580 4.338 1.00 0.00 C ATOM 1101 C GLN A 620 -6.844 2.754 3.503 1.00 0.00 C ATOM 1102 O GLN A 620 -8.061 2.816 3.689 1.00 0.00 O ATOM 1103 CB GLN A 620 -5.374 4.771 3.521 1.00 0.00 C ATOM 1104 CG GLN A 620 -4.702 5.841 4.361 1.00 0.00 C ATOM 1105 CD GLN A 620 -4.108 6.959 3.523 1.00 0.00 C ATOM 1106 OE1 GLN A 620 -3.124 7.584 3.915 1.00 0.00 O ATOM 1107 NE2 GLN A 620 -4.697 7.218 2.365 1.00 0.00 N ATOM 0 H GLN A 620 -3.847 3.051 4.456 1.00 0.00 H new ATOM 0 HA GLN A 620 -6.396 3.958 5.219 1.00 0.00 H new ATOM 0 HB2 GLN A 620 -4.669 4.414 2.770 1.00 0.00 H new ATOM 0 HB3 GLN A 620 -6.213 5.215 2.986 1.00 0.00 H new ATOM 0 HG2 GLN A 620 -5.429 6.261 5.056 1.00 0.00 H new ATOM 0 HG3 GLN A 620 -3.914 5.385 4.961 1.00 0.00 H new ATOM 0 HE21 GLN A 620 -5.512 6.677 2.075 1.00 0.00 H new ATOM 0 HE22 GLN A 620 -4.336 7.958 1.763 1.00 0.00 H new ATOM 1116 N ALA A 621 -6.290 1.966 2.596 1.00 0.00 N ATOM 1117 CA ALA A 621 -7.085 1.091 1.757 1.00 0.00 C ATOM 1118 C ALA A 621 -7.695 -0.028 2.591 1.00 0.00 C ATOM 1119 O ALA A 621 -8.825 -0.431 2.357 1.00 0.00 O ATOM 1120 CB ALA A 621 -6.241 0.527 0.625 1.00 0.00 C ATOM 0 H ALA A 621 -5.286 1.916 2.423 1.00 0.00 H new ATOM 0 HA ALA A 621 -7.896 1.670 1.316 1.00 0.00 H new ATOM 0 HB1 ALA A 621 -6.854 -0.128 0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 621 -5.854 1.345 0.017 1.00 0.00 H new ATOM 0 HB3 ALA A 621 -5.409 -0.041 1.040 1.00 0.00 H new ATOM 1126 N PHE A 622 -6.940 -0.513 3.571 1.00 0.00 N ATOM 1127 CA PHE A 622 -7.424 -1.550 4.476 1.00 0.00 C ATOM 1128 C PHE A 622 -8.653 -1.084 5.245 1.00 0.00 C ATOM 1129 O PHE A 622 -9.666 -1.781 5.300 1.00 0.00 O ATOM 1130 CB PHE A 622 -6.331 -1.956 5.460 1.00 0.00 C ATOM 1131 CG PHE A 622 -5.808 -3.343 5.230 1.00 0.00 C ATOM 1132 CD1 PHE A 622 -6.637 -4.443 5.381 1.00 0.00 C ATOM 1133 CD2 PHE A 622 -4.490 -3.550 4.859 1.00 0.00 C ATOM 1134 CE1 PHE A 622 -6.162 -5.723 5.166 1.00 0.00 C ATOM 1135 CE2 PHE A 622 -4.009 -4.826 4.645 1.00 0.00 C ATOM 1136 CZ PHE A 622 -4.845 -5.915 4.799 1.00 0.00 C ATOM 0 H PHE A 622 -5.987 -0.203 3.759 1.00 0.00 H new ATOM 0 HA PHE A 622 -7.701 -2.411 3.868 1.00 0.00 H new ATOM 0 HB2 PHE A 622 -5.506 -1.248 5.387 1.00 0.00 H new ATOM 0 HB3 PHE A 622 -6.722 -1.887 6.475 1.00 0.00 H new ATOM 0 HD1 PHE A 622 -7.667 -4.298 5.670 1.00 0.00 H new ATOM 0 HD2 PHE A 622 -3.831 -2.703 4.736 1.00 0.00 H new ATOM 0 HE1 PHE A 622 -6.820 -6.571 5.285 1.00 0.00 H new ATOM 0 HE2 PHE A 622 -2.979 -4.973 4.357 1.00 0.00 H new ATOM 0 HZ PHE A 622 -4.469 -6.914 4.633 1.00 0.00 H new ATOM 1146 N GLU A 623 -8.558 0.098 5.841 1.00 0.00 N ATOM 1147 CA GLU A 623 -9.672 0.662 6.597 1.00 0.00 C ATOM 1148 C GLU A 623 -10.855 0.954 5.683 1.00 0.00 C ATOM 1149 O GLU A 623 -12.007 0.721 6.051 1.00 0.00 O ATOM 1150 CB GLU A 623 -9.235 1.927 7.334 1.00 0.00 C ATOM 1151 CG GLU A 623 -8.273 1.651 8.476 1.00 0.00 C ATOM 1152 CD GLU A 623 -7.935 2.894 9.268 1.00 0.00 C ATOM 1153 OE1 GLU A 623 -8.747 3.292 10.131 1.00 0.00 O ATOM 1154 OE2 GLU A 623 -6.856 3.480 9.035 1.00 0.00 O ATOM 0 H GLU A 623 -7.724 0.684 5.816 1.00 0.00 H new ATOM 0 HA GLU A 623 -9.989 -0.074 7.336 1.00 0.00 H new ATOM 0 HB2 GLU A 623 -8.762 2.608 6.626 1.00 0.00 H new ATOM 0 HB3 GLU A 623 -10.117 2.435 7.725 1.00 0.00 H new ATOM 0 HG2 GLU A 623 -8.711 0.908 9.143 1.00 0.00 H new ATOM 0 HG3 GLU A 623 -7.355 1.219 8.076 1.00 0.00 H new ATOM 1161 N ARG A 624 -10.568 1.454 4.484 1.00 0.00 N ATOM 1162 CA ARG A 624 -11.596 1.633 3.465 1.00 0.00 C ATOM 1163 C ARG A 624 -12.260 0.297 3.166 1.00 0.00 C ATOM 1164 O ARG A 624 -13.479 0.208 3.062 1.00 0.00 O ATOM 1165 CB ARG A 624 -10.978 2.229 2.190 1.00 0.00 C ATOM 1166 CG ARG A 624 -11.858 2.145 0.949 1.00 0.00 C ATOM 1167 CD ARG A 624 -13.211 2.815 1.139 1.00 0.00 C ATOM 1168 NE ARG A 624 -13.127 4.270 1.272 1.00 0.00 N ATOM 1169 CZ ARG A 624 -13.832 5.113 0.519 1.00 0.00 C ATOM 1170 NH1 ARG A 624 -14.507 4.660 -0.531 1.00 0.00 N ATOM 1171 NH2 ARG A 624 -13.819 6.413 0.776 1.00 0.00 N ATOM 0 H ARG A 624 -9.633 1.742 4.195 1.00 0.00 H new ATOM 0 HA ARG A 624 -12.353 2.325 3.834 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -10.737 3.276 2.376 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -10.038 1.717 1.986 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -11.341 2.612 0.110 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -12.010 1.098 0.687 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -13.851 2.572 0.291 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -13.690 2.404 2.028 1.00 0.00 H new ATOM 0 HE ARG A 624 -12.498 4.657 1.975 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -14.486 3.667 -0.761 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -15.047 5.306 -1.107 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -13.267 6.774 1.554 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -14.361 7.053 0.196 1.00 0.00 H new ATOM 1185 N TRP A 625 -11.443 -0.740 3.077 1.00 0.00 N ATOM 1186 CA TRP A 625 -11.915 -2.066 2.732 1.00 0.00 C ATOM 1187 C TRP A 625 -12.865 -2.616 3.785 1.00 0.00 C ATOM 1188 O TRP A 625 -13.949 -3.096 3.458 1.00 0.00 O ATOM 1189 CB TRP A 625 -10.734 -3.019 2.540 1.00 0.00 C ATOM 1190 CG TRP A 625 -11.164 -4.435 2.332 1.00 0.00 C ATOM 1191 CD1 TRP A 625 -11.743 -4.963 1.218 1.00 0.00 C ATOM 1192 CD2 TRP A 625 -11.063 -5.498 3.279 1.00 0.00 C ATOM 1193 NE1 TRP A 625 -12.016 -6.295 1.419 1.00 0.00 N ATOM 1194 CE2 TRP A 625 -11.605 -6.646 2.679 1.00 0.00 C ATOM 1195 CE3 TRP A 625 -10.565 -5.585 4.578 1.00 0.00 C ATOM 1196 CZ2 TRP A 625 -11.667 -7.868 3.341 1.00 0.00 C ATOM 1197 CZ3 TRP A 625 -10.626 -6.795 5.234 1.00 0.00 C ATOM 1198 CH2 TRP A 625 -11.172 -7.923 4.616 1.00 0.00 C ATOM 0 H TRP A 625 -10.438 -0.684 3.242 1.00 0.00 H new ATOM 0 HA TRP A 625 -12.466 -1.985 1.795 1.00 0.00 H new ATOM 0 HB2 TRP A 625 -10.145 -2.693 1.683 1.00 0.00 H new ATOM 0 HB3 TRP A 625 -10.084 -2.966 3.413 1.00 0.00 H new ATOM 0 HD1 TRP A 625 -11.956 -4.416 0.311 1.00 0.00 H new ATOM 0 HE1 TRP A 625 -12.453 -6.920 0.742 1.00 0.00 H new ATOM 0 HE3 TRP A 625 -10.139 -4.719 5.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 625 -12.090 -8.741 2.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 625 -10.246 -6.873 6.242 1.00 0.00 H new ATOM 0 HH2 TRP A 625 -11.204 -8.858 5.156 1.00 0.00 H new ATOM 1209 N GLU A 626 -12.461 -2.541 5.044 1.00 0.00 N ATOM 1210 CA GLU A 626 -13.282 -3.057 6.130 1.00 0.00 C ATOM 1211 C GLU A 626 -14.579 -2.269 6.244 1.00 0.00 C ATOM 1212 O GLU A 626 -15.624 -2.828 6.570 1.00 0.00 O ATOM 1213 CB GLU A 626 -12.510 -3.034 7.444 1.00 0.00 C ATOM 1214 CG GLU A 626 -11.235 -3.857 7.382 1.00 0.00 C ATOM 1215 CD GLU A 626 -11.116 -4.833 8.531 1.00 0.00 C ATOM 1216 OE1 GLU A 626 -11.895 -5.807 8.574 1.00 0.00 O ATOM 1217 OE2 GLU A 626 -10.241 -4.638 9.397 1.00 0.00 O ATOM 0 H GLU A 626 -11.575 -2.130 5.339 1.00 0.00 H new ATOM 0 HA GLU A 626 -13.537 -4.093 5.907 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -12.262 -2.004 7.698 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -13.146 -3.415 8.243 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -11.206 -4.405 6.440 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -10.374 -3.188 7.388 1.00 0.00 H new ATOM 1224 N TYR A 627 -14.505 -0.972 5.958 1.00 0.00 N ATOM 1225 CA TYR A 627 -15.698 -0.141 5.867 1.00 0.00 C ATOM 1226 C TYR A 627 -16.586 -0.630 4.729 1.00 0.00 C ATOM 1227 O TYR A 627 -17.797 -0.738 4.880 1.00 0.00 O ATOM 1228 CB TYR A 627 -15.312 1.332 5.662 1.00 0.00 C ATOM 1229 CG TYR A 627 -16.337 2.170 4.914 1.00 0.00 C ATOM 1230 CD1 TYR A 627 -17.620 2.382 5.414 1.00 0.00 C ATOM 1231 CD2 TYR A 627 -16.008 2.754 3.696 1.00 0.00 C ATOM 1232 CE1 TYR A 627 -18.539 3.147 4.717 1.00 0.00 C ATOM 1233 CE2 TYR A 627 -16.918 3.520 2.999 1.00 0.00 C ATOM 1234 CZ TYR A 627 -18.181 3.714 3.512 1.00 0.00 C ATOM 1235 OH TYR A 627 -19.091 4.480 2.819 1.00 0.00 O ATOM 0 H TYR A 627 -13.631 -0.475 5.786 1.00 0.00 H new ATOM 0 HA TYR A 627 -16.255 -0.218 6.801 1.00 0.00 H new ATOM 0 HB2 TYR A 627 -15.138 1.785 6.638 1.00 0.00 H new ATOM 0 HB3 TYR A 627 -14.368 1.372 5.119 1.00 0.00 H new ATOM 0 HD1 TYR A 627 -17.902 1.943 6.360 1.00 0.00 H new ATOM 0 HD2 TYR A 627 -15.019 2.605 3.288 1.00 0.00 H new ATOM 0 HE1 TYR A 627 -19.531 3.299 5.115 1.00 0.00 H new ATOM 0 HE2 TYR A 627 -16.642 3.966 2.055 1.00 0.00 H new ATOM 0 HH TYR A 627 -18.681 4.806 1.991 1.00 0.00 H new ATOM 1245 N LEU A 628 -15.970 -0.942 3.595 1.00 0.00 N ATOM 1246 CA LEU A 628 -16.710 -1.398 2.429 1.00 0.00 C ATOM 1247 C LEU A 628 -17.381 -2.736 2.684 1.00 0.00 C ATOM 1248 O LEU A 628 -18.557 -2.897 2.389 1.00 0.00 O ATOM 1249 CB LEU A 628 -15.805 -1.498 1.205 1.00 0.00 C ATOM 1250 CG LEU A 628 -15.252 -0.170 0.702 1.00 0.00 C ATOM 1251 CD1 LEU A 628 -14.507 -0.374 -0.604 1.00 0.00 C ATOM 1252 CD2 LEU A 628 -16.373 0.846 0.539 1.00 0.00 C ATOM 0 H LEU A 628 -14.960 -0.887 3.460 1.00 0.00 H new ATOM 0 HA LEU A 628 -17.484 -0.656 2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -14.969 -2.156 1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -16.363 -1.971 0.397 1.00 0.00 H new ATOM 0 HG LEU A 628 -14.549 0.220 1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -14.117 0.582 -0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -13.681 -1.068 -0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -15.187 -0.783 -1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -15.960 1.789 0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -17.102 0.471 -0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -16.861 1.007 1.500 1.00 0.00 H new ATOM 1264 N GLU A 629 -16.636 -3.693 3.226 1.00 0.00 N ATOM 1265 CA GLU A 629 -17.194 -5.006 3.536 1.00 0.00 C ATOM 1266 C GLU A 629 -18.318 -4.889 4.555 1.00 0.00 C ATOM 1267 O GLU A 629 -19.342 -5.562 4.443 1.00 0.00 O ATOM 1268 CB GLU A 629 -16.108 -5.955 4.042 1.00 0.00 C ATOM 1269 CG GLU A 629 -15.273 -6.566 2.926 1.00 0.00 C ATOM 1270 CD GLU A 629 -16.074 -7.509 2.045 1.00 0.00 C ATOM 1271 OE1 GLU A 629 -17.024 -7.056 1.375 1.00 0.00 O ATOM 1272 OE2 GLU A 629 -15.759 -8.718 2.026 1.00 0.00 O ATOM 0 H GLU A 629 -15.649 -3.586 3.459 1.00 0.00 H new ATOM 0 HA GLU A 629 -17.607 -5.420 2.616 1.00 0.00 H new ATOM 0 HB2 GLU A 629 -15.451 -5.414 4.723 1.00 0.00 H new ATOM 0 HB3 GLU A 629 -16.574 -6.755 4.617 1.00 0.00 H new ATOM 0 HG2 GLU A 629 -14.855 -5.768 2.312 1.00 0.00 H new ATOM 0 HG3 GLU A 629 -14.433 -7.107 3.361 1.00 0.00 H new ATOM 1279 N ALA A 630 -18.135 -4.019 5.535 1.00 0.00 N ATOM 1280 CA ALA A 630 -19.168 -3.764 6.526 1.00 0.00 C ATOM 1281 C ALA A 630 -20.389 -3.130 5.869 1.00 0.00 C ATOM 1282 O ALA A 630 -21.524 -3.537 6.113 1.00 0.00 O ATOM 1283 CB ALA A 630 -18.627 -2.869 7.631 1.00 0.00 C ATOM 0 H ALA A 630 -17.281 -3.477 5.666 1.00 0.00 H new ATOM 0 HA ALA A 630 -19.472 -4.713 6.968 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -19.410 -2.685 8.367 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -17.782 -3.359 8.115 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -18.301 -1.921 7.204 1.00 0.00 H new ATOM 1289 N LEU A 631 -20.137 -2.148 5.011 1.00 0.00 N ATOM 1290 CA LEU A 631 -21.192 -1.444 4.287 1.00 0.00 C ATOM 1291 C LEU A 631 -21.884 -2.377 3.297 1.00 0.00 C ATOM 1292 O LEU A 631 -23.071 -2.239 3.005 1.00 0.00 O ATOM 1293 CB LEU A 631 -20.597 -0.262 3.523 1.00 0.00 C ATOM 1294 CG LEU A 631 -21.592 0.823 3.142 1.00 0.00 C ATOM 1295 CD1 LEU A 631 -21.888 1.700 4.343 1.00 0.00 C ATOM 1296 CD2 LEU A 631 -21.058 1.653 1.991 1.00 0.00 C ATOM 0 H LEU A 631 -19.196 -1.817 4.797 1.00 0.00 H new ATOM 0 HA LEU A 631 -21.924 -1.089 5.013 1.00 0.00 H new ATOM 0 HB2 LEU A 631 -19.810 0.185 4.130 1.00 0.00 H new ATOM 0 HB3 LEU A 631 -20.125 -0.636 2.615 1.00 0.00 H new ATOM 0 HG LEU A 631 -22.520 0.352 2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 631 -22.601 2.474 4.061 1.00 0.00 H new ATOM 0 HD12 LEU A 631 -22.310 1.091 5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 631 -20.965 2.166 4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 631 -21.783 2.424 1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 631 -20.119 2.122 2.285 1.00 0.00 H new ATOM 0 HD23 LEU A 631 -20.888 1.010 1.127 1.00 0.00 H new ATOM 1308 N LYS A 632 -21.116 -3.319 2.778 1.00 0.00 N ATOM 1309 CA LYS A 632 -21.591 -4.245 1.767 1.00 0.00 C ATOM 1310 C LYS A 632 -22.463 -5.317 2.408 1.00 0.00 C ATOM 1311 O LYS A 632 -23.493 -5.708 1.863 1.00 0.00 O ATOM 1312 CB LYS A 632 -20.383 -4.885 1.071 1.00 0.00 C ATOM 1313 CG LYS A 632 -20.655 -5.418 -0.330 1.00 0.00 C ATOM 1314 CD LYS A 632 -21.272 -6.811 -0.319 1.00 0.00 C ATOM 1315 CE LYS A 632 -20.366 -7.833 0.363 1.00 0.00 C ATOM 1316 NZ LYS A 632 -18.986 -7.844 -0.201 1.00 0.00 N ATOM 0 H LYS A 632 -20.143 -3.463 3.047 1.00 0.00 H new ATOM 0 HA LYS A 632 -22.192 -3.710 1.031 1.00 0.00 H new ATOM 0 HB2 LYS A 632 -19.583 -4.147 1.014 1.00 0.00 H new ATOM 0 HB3 LYS A 632 -20.018 -5.704 1.690 1.00 0.00 H new ATOM 0 HG2 LYS A 632 -21.323 -4.733 -0.852 1.00 0.00 H new ATOM 0 HG3 LYS A 632 -19.722 -5.443 -0.893 1.00 0.00 H new ATOM 0 HD2 LYS A 632 -22.232 -6.778 0.195 1.00 0.00 H new ATOM 0 HD3 LYS A 632 -21.469 -7.128 -1.343 1.00 0.00 H new ATOM 0 HE2 LYS A 632 -20.317 -7.614 1.430 1.00 0.00 H new ATOM 0 HE3 LYS A 632 -20.804 -8.826 0.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 632 -18.634 -8.822 -0.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 632 -19.000 -7.444 -1.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 632 -18.360 -7.274 0.403 1.00 0.00 H new