USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 441 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 586 ASN : amide:sc= 0.557 K(o=1.2,f=-6.3!) USER MOD Set 1.2: A 598 THR OG1 : rot 170:sc= 0.649 USER MOD Set 2.1: A 564 CYS SG : rot 156:sc= 0.565 USER MOD Set 2.2: A 567 CYS SG : rot -62:sc= -0.355 USER MOD Set 2.3: A 596 HIS : no HD1:sc= 0.624 K(o=0.4,f=-2.1) USER MOD Set 2.4: A 599 CYS SG : rot 136:sc= -0.431 USER MOD Single : A 549 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 550 TYR OH : rot 180:sc= 0 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 557 SER OG : rot 170:sc= 0.014 USER MOD Single : A 558 GLN : amide:sc= -0.578 X(o=-0.58,f=-0.26) USER MOD Single : A 560 MET CE :methyl 179:sc= -1.53 (180deg=-1.56) USER MOD Single : A 563 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 570 THR OG1 : rot 180:sc= 0 USER MOD Single : A 572 THR OG1 : rot 180:sc= -0.0339 USER MOD Single : A 575 TYR OH : rot 180:sc= 0 USER MOD Single : A 579 SER OG : rot -77:sc= 1.11 USER MOD Single : A 585 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 587 THR OG1 : rot 63:sc= 0.627 USER MOD Single : A 591 ASN : amide:sc= -0.0172 X(o=-0.017,f=0) USER MOD Single : A 593 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 594 TYR OH : rot 180:sc= 0 USER MOD Single : A 597 SER OG : rot -150:sc= 0 USER MOD Single : A 600 TYR OH : rot 180:sc= 0 USER MOD Single : A 601 HIS : no HD1:sc=-0.00112 X(o=-0.0011,f=0) USER MOD Single : A 603 THR OG1 : rot 85:sc= 0.398 USER MOD ----------------------------------------------------------------- ATOM 184 N ILE A 546 26.291 -2.996 -0.357 1.00 0.00 N ATOM 185 CA ILE A 546 27.537 -3.332 0.348 1.00 0.00 C ATOM 186 C ILE A 546 27.420 -3.012 1.852 1.00 0.00 C ATOM 187 O ILE A 546 27.967 -3.740 2.683 1.00 0.00 O ATOM 188 CB ILE A 546 28.727 -2.607 -0.326 1.00 0.00 C ATOM 189 CG1 ILE A 546 28.913 -3.007 -1.813 1.00 0.00 C ATOM 190 CG2 ILE A 546 30.038 -2.849 0.436 1.00 0.00 C ATOM 191 CD1 ILE A 546 29.349 -4.454 -2.081 1.00 0.00 C ATOM 0 HA ILE A 546 27.720 -4.404 0.276 1.00 0.00 H new ATOM 0 HB ILE A 546 28.481 -1.546 -0.294 1.00 0.00 H new ATOM 0 HG12 ILE A 546 27.972 -2.832 -2.334 1.00 0.00 H new ATOM 0 HG13 ILE A 546 29.652 -2.340 -2.256 1.00 0.00 H new ATOM 0 HG21 ILE A 546 30.852 -2.325 -0.065 1.00 0.00 H new ATOM 0 HG22 ILE A 546 29.940 -2.477 1.456 1.00 0.00 H new ATOM 0 HG23 ILE A 546 30.254 -3.917 0.459 1.00 0.00 H new ATOM 0 HD11 ILE A 546 29.445 -4.612 -3.155 1.00 0.00 H new ATOM 0 HD12 ILE A 546 30.309 -4.640 -1.600 1.00 0.00 H new ATOM 0 HD13 ILE A 546 28.603 -5.139 -1.679 1.00 0.00 H new ATOM 203 N ARG A 547 26.642 -1.981 2.220 1.00 0.00 N ATOM 204 CA ARG A 547 26.362 -1.607 3.622 1.00 0.00 C ATOM 205 C ARG A 547 25.503 -2.661 4.331 1.00 0.00 C ATOM 206 O ARG A 547 25.709 -2.926 5.517 1.00 0.00 O ATOM 207 CB ARG A 547 25.688 -0.219 3.649 1.00 0.00 C ATOM 208 CG ARG A 547 25.550 0.435 5.036 1.00 0.00 C ATOM 209 CD ARG A 547 26.886 0.797 5.702 1.00 0.00 C ATOM 210 NE ARG A 547 27.691 1.700 4.856 1.00 0.00 N ATOM 211 CZ ARG A 547 28.814 2.312 5.171 1.00 0.00 C ATOM 212 NH1 ARG A 547 29.389 2.202 6.337 1.00 0.00 N ATOM 213 NH2 ARG A 547 29.382 3.075 4.290 1.00 0.00 N ATOM 0 H ARG A 547 26.181 -1.372 1.543 1.00 0.00 H new ATOM 0 HA ARG A 547 27.304 -1.559 4.169 1.00 0.00 H new ATOM 0 HB2 ARG A 547 26.258 0.453 3.007 1.00 0.00 H new ATOM 0 HB3 ARG A 547 24.694 -0.311 3.211 1.00 0.00 H new ATOM 0 HG2 ARG A 547 24.949 1.339 4.940 1.00 0.00 H new ATOM 0 HG3 ARG A 547 25.003 -0.243 5.691 1.00 0.00 H new ATOM 0 HD2 ARG A 547 26.696 1.273 6.664 1.00 0.00 H new ATOM 0 HD3 ARG A 547 27.451 -0.113 5.903 1.00 0.00 H new ATOM 0 HE ARG A 547 27.335 1.870 3.915 1.00 0.00 H new ATOM 0 HH11 ARG A 547 28.968 1.618 7.060 1.00 0.00 H new ATOM 0 HH12 ARG A 547 30.259 2.700 6.525 1.00 0.00 H new ATOM 0 HH21 ARG A 547 28.959 3.194 3.370 1.00 0.00 H new ATOM 0 HH22 ARG A 547 30.252 3.556 4.517 1.00 0.00 H new ATOM 227 N GLY A 548 24.582 -3.293 3.596 1.00 0.00 N ATOM 228 CA GLY A 548 23.703 -4.369 4.064 1.00 0.00 C ATOM 229 C GLY A 548 24.380 -5.730 4.290 1.00 0.00 C ATOM 230 O GLY A 548 23.728 -6.634 4.814 1.00 0.00 O ATOM 0 H GLY A 548 24.422 -3.058 2.616 1.00 0.00 H new ATOM 0 HA2 GLY A 548 23.240 -4.054 4.999 1.00 0.00 H new ATOM 0 HA3 GLY A 548 22.900 -4.499 3.338 1.00 0.00 H new ATOM 234 N LYS A 549 25.665 -5.897 3.940 1.00 0.00 N ATOM 235 CA LYS A 549 26.456 -7.098 4.268 1.00 0.00 C ATOM 236 C LYS A 549 26.882 -7.068 5.739 1.00 0.00 C ATOM 237 O LYS A 549 27.501 -6.100 6.179 1.00 0.00 O ATOM 238 CB LYS A 549 27.683 -7.214 3.340 1.00 0.00 C ATOM 239 CG LYS A 549 27.360 -7.143 1.838 1.00 0.00 C ATOM 240 CD LYS A 549 26.333 -8.181 1.365 1.00 0.00 C ATOM 241 CE LYS A 549 26.101 -8.007 -0.140 1.00 0.00 C ATOM 242 NZ LYS A 549 25.107 -8.988 -0.652 1.00 0.00 N ATOM 0 H LYS A 549 26.191 -5.197 3.417 1.00 0.00 H new ATOM 0 HA LYS A 549 25.833 -7.978 4.110 1.00 0.00 H new ATOM 0 HB2 LYS A 549 28.384 -6.416 3.585 1.00 0.00 H new ATOM 0 HB3 LYS A 549 28.189 -8.157 3.545 1.00 0.00 H new ATOM 0 HG2 LYS A 549 26.986 -6.146 1.605 1.00 0.00 H new ATOM 0 HG3 LYS A 549 28.282 -7.277 1.273 1.00 0.00 H new ATOM 0 HD2 LYS A 549 26.692 -9.188 1.576 1.00 0.00 H new ATOM 0 HD3 LYS A 549 25.395 -8.056 1.907 1.00 0.00 H new ATOM 0 HE2 LYS A 549 25.752 -6.994 -0.341 1.00 0.00 H new ATOM 0 HE3 LYS A 549 27.044 -8.131 -0.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 549 24.972 -8.845 -1.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 549 25.453 -9.954 -0.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 549 24.201 -8.852 -0.161 1.00 0.00 H new ATOM 256 N TYR A 550 26.578 -8.121 6.497 1.00 0.00 N ATOM 257 CA TYR A 550 26.985 -8.259 7.899 1.00 0.00 C ATOM 258 C TYR A 550 27.203 -9.709 8.324 1.00 0.00 C ATOM 259 O TYR A 550 26.742 -10.654 7.673 1.00 0.00 O ATOM 260 CB TYR A 550 25.986 -7.554 8.846 1.00 0.00 C ATOM 261 CG TYR A 550 24.567 -8.103 8.851 1.00 0.00 C ATOM 262 CD1 TYR A 550 23.570 -7.472 8.080 1.00 0.00 C ATOM 263 CD2 TYR A 550 24.237 -9.221 9.646 1.00 0.00 C ATOM 264 CE1 TYR A 550 22.248 -7.960 8.093 1.00 0.00 C ATOM 265 CE2 TYR A 550 22.916 -9.711 9.660 1.00 0.00 C ATOM 266 CZ TYR A 550 21.916 -9.085 8.883 1.00 0.00 C ATOM 267 OH TYR A 550 20.648 -9.573 8.892 1.00 0.00 O ATOM 0 H TYR A 550 26.036 -8.913 6.152 1.00 0.00 H new ATOM 0 HA TYR A 550 27.952 -7.764 7.980 1.00 0.00 H new ATOM 0 HB2 TYR A 550 26.379 -7.609 9.861 1.00 0.00 H new ATOM 0 HB3 TYR A 550 25.945 -6.499 8.577 1.00 0.00 H new ATOM 0 HD1 TYR A 550 23.820 -6.612 7.477 1.00 0.00 H new ATOM 0 HD2 TYR A 550 24.997 -9.701 10.244 1.00 0.00 H new ATOM 0 HE1 TYR A 550 21.488 -7.474 7.499 1.00 0.00 H new ATOM 0 HE2 TYR A 550 22.667 -10.569 10.267 1.00 0.00 H new ATOM 0 HH TYR A 550 20.600 -10.349 9.489 1.00 0.00 H new ATOM 277 N VAL A 551 27.903 -9.868 9.448 1.00 0.00 N ATOM 278 CA VAL A 551 28.239 -11.146 10.089 1.00 0.00 C ATOM 279 C VAL A 551 28.010 -11.062 11.601 1.00 0.00 C ATOM 280 O VAL A 551 28.309 -10.043 12.226 1.00 0.00 O ATOM 281 CB VAL A 551 29.675 -11.611 9.748 1.00 0.00 C ATOM 282 CG1 VAL A 551 29.654 -12.448 8.469 1.00 0.00 C ATOM 283 CG2 VAL A 551 30.706 -10.493 9.544 1.00 0.00 C ATOM 0 H VAL A 551 28.271 -9.069 9.965 1.00 0.00 H new ATOM 0 HA VAL A 551 27.570 -11.906 9.687 1.00 0.00 H new ATOM 0 HB VAL A 551 29.991 -12.175 10.626 1.00 0.00 H new ATOM 0 HG11 VAL A 551 30.666 -12.774 8.231 1.00 0.00 H new ATOM 0 HG12 VAL A 551 29.017 -13.320 8.615 1.00 0.00 H new ATOM 0 HG13 VAL A 551 29.264 -11.847 7.647 1.00 0.00 H new ATOM 0 HG21 VAL A 551 31.676 -10.931 9.310 1.00 0.00 H new ATOM 0 HG22 VAL A 551 30.390 -9.852 8.721 1.00 0.00 H new ATOM 0 HG23 VAL A 551 30.786 -9.901 10.456 1.00 0.00 H new ATOM 293 N VAL A 552 27.437 -12.109 12.203 1.00 0.00 N ATOM 294 CA VAL A 552 27.069 -12.135 13.634 1.00 0.00 C ATOM 295 C VAL A 552 28.323 -12.193 14.519 1.00 0.00 C ATOM 296 O VAL A 552 29.231 -12.991 14.270 1.00 0.00 O ATOM 297 CB VAL A 552 26.100 -13.309 13.920 1.00 0.00 C ATOM 298 CG1 VAL A 552 25.786 -13.486 15.408 1.00 0.00 C ATOM 299 CG2 VAL A 552 24.763 -13.107 13.190 1.00 0.00 C ATOM 0 H VAL A 552 27.211 -12.974 11.711 1.00 0.00 H new ATOM 0 HA VAL A 552 26.547 -11.211 13.880 1.00 0.00 H new ATOM 0 HB VAL A 552 26.617 -14.199 13.561 1.00 0.00 H new ATOM 0 HG11 VAL A 552 25.102 -14.325 15.538 1.00 0.00 H new ATOM 0 HG12 VAL A 552 26.709 -13.682 15.954 1.00 0.00 H new ATOM 0 HG13 VAL A 552 25.323 -12.577 15.793 1.00 0.00 H new ATOM 0 HG21 VAL A 552 24.100 -13.945 13.407 1.00 0.00 H new ATOM 0 HG22 VAL A 552 24.300 -12.180 13.529 1.00 0.00 H new ATOM 0 HG23 VAL A 552 24.940 -13.053 12.116 1.00 0.00 H new ATOM 309 N VAL A 553 28.361 -11.377 15.580 1.00 0.00 N ATOM 310 CA VAL A 553 29.417 -11.400 16.604 1.00 0.00 C ATOM 311 C VAL A 553 29.359 -12.748 17.354 1.00 0.00 C ATOM 312 O VAL A 553 28.314 -13.080 17.925 1.00 0.00 O ATOM 313 CB VAL A 553 29.278 -10.218 17.585 1.00 0.00 C ATOM 314 CG1 VAL A 553 30.258 -10.370 18.752 1.00 0.00 C ATOM 315 CG2 VAL A 553 29.579 -8.873 16.945 1.00 0.00 C ATOM 0 H VAL A 553 27.647 -10.670 15.755 1.00 0.00 H new ATOM 0 HA VAL A 553 30.386 -11.295 16.116 1.00 0.00 H new ATOM 0 HB VAL A 553 28.239 -10.240 17.915 1.00 0.00 H new ATOM 0 HG11 VAL A 553 30.146 -9.527 19.434 1.00 0.00 H new ATOM 0 HG12 VAL A 553 30.049 -11.298 19.285 1.00 0.00 H new ATOM 0 HG13 VAL A 553 31.278 -10.394 18.369 1.00 0.00 H new ATOM 0 HG21 VAL A 553 29.463 -8.083 17.687 1.00 0.00 H new ATOM 0 HG22 VAL A 553 30.602 -8.870 16.568 1.00 0.00 H new ATOM 0 HG23 VAL A 553 28.888 -8.700 16.120 1.00 0.00 H new ATOM 325 N PRO A 554 30.435 -13.555 17.374 1.00 0.00 N ATOM 326 CA PRO A 554 30.427 -14.943 17.853 1.00 0.00 C ATOM 327 C PRO A 554 30.660 -15.098 19.363 1.00 0.00 C ATOM 328 O PRO A 554 30.566 -16.210 19.886 1.00 0.00 O ATOM 329 CB PRO A 554 31.583 -15.595 17.082 1.00 0.00 C ATOM 330 CG PRO A 554 32.611 -14.473 16.990 1.00 0.00 C ATOM 331 CD PRO A 554 31.725 -13.245 16.778 1.00 0.00 C ATOM 0 HA PRO A 554 29.449 -15.394 17.687 1.00 0.00 H new ATOM 0 HB2 PRO A 554 31.980 -16.463 17.608 1.00 0.00 H new ATOM 0 HB3 PRO A 554 31.269 -15.936 16.096 1.00 0.00 H new ATOM 0 HG2 PRO A 554 33.209 -14.393 17.898 1.00 0.00 H new ATOM 0 HG3 PRO A 554 33.305 -14.623 16.163 1.00 0.00 H new ATOM 0 HD2 PRO A 554 32.166 -12.364 17.245 1.00 0.00 H new ATOM 0 HD3 PRO A 554 31.618 -13.023 15.716 1.00 0.00 H new ATOM 339 N GLU A 555 31.027 -14.010 20.048 1.00 0.00 N ATOM 340 CA GLU A 555 31.533 -13.940 21.435 1.00 0.00 C ATOM 341 C GLU A 555 32.880 -14.664 21.667 1.00 0.00 C ATOM 342 O GLU A 555 33.649 -14.258 22.538 1.00 0.00 O ATOM 343 CB GLU A 555 30.474 -14.361 22.470 1.00 0.00 C ATOM 344 CG GLU A 555 29.177 -13.535 22.384 1.00 0.00 C ATOM 345 CD GLU A 555 28.123 -13.968 23.429 1.00 0.00 C ATOM 346 OE1 GLU A 555 28.450 -14.107 24.635 1.00 0.00 O ATOM 347 OE2 GLU A 555 26.934 -14.137 23.066 1.00 0.00 O ATOM 0 H GLU A 555 30.977 -13.084 19.622 1.00 0.00 H new ATOM 0 HA GLU A 555 31.747 -12.883 21.591 1.00 0.00 H new ATOM 0 HB2 GLU A 555 30.236 -15.415 22.328 1.00 0.00 H new ATOM 0 HB3 GLU A 555 30.894 -14.262 23.471 1.00 0.00 H new ATOM 0 HG2 GLU A 555 29.413 -12.480 22.527 1.00 0.00 H new ATOM 0 HG3 GLU A 555 28.754 -13.634 21.384 1.00 0.00 H new ATOM 354 N THR A 556 33.240 -15.667 20.850 1.00 0.00 N ATOM 355 CA THR A 556 34.586 -16.294 20.813 1.00 0.00 C ATOM 356 C THR A 556 35.672 -15.302 20.357 1.00 0.00 C ATOM 357 O THR A 556 36.852 -15.493 20.643 1.00 0.00 O ATOM 358 CB THR A 556 34.615 -17.518 19.889 1.00 0.00 C ATOM 359 OG1 THR A 556 34.304 -17.133 18.570 1.00 0.00 O ATOM 360 CG2 THR A 556 33.606 -18.592 20.321 1.00 0.00 C ATOM 0 H THR A 556 32.593 -16.080 20.178 1.00 0.00 H new ATOM 0 HA THR A 556 34.799 -16.608 21.835 1.00 0.00 H new ATOM 0 HB THR A 556 35.620 -17.935 19.948 1.00 0.00 H new ATOM 0 HG1 THR A 556 34.326 -17.920 17.986 1.00 0.00 H new ATOM 0 HG21 THR A 556 33.662 -19.440 19.638 1.00 0.00 H new ATOM 0 HG22 THR A 556 33.840 -18.925 21.332 1.00 0.00 H new ATOM 0 HG23 THR A 556 32.599 -18.175 20.300 1.00 0.00 H new ATOM 368 N SER A 557 35.271 -14.208 19.706 1.00 0.00 N ATOM 369 CA SER A 557 36.091 -13.019 19.387 1.00 0.00 C ATOM 370 C SER A 557 36.556 -12.222 20.623 1.00 0.00 C ATOM 371 O SER A 557 37.383 -11.317 20.498 1.00 0.00 O ATOM 372 CB SER A 557 35.267 -12.119 18.454 1.00 0.00 C ATOM 373 OG SER A 557 33.983 -11.847 19.011 1.00 0.00 O ATOM 0 H SER A 557 34.314 -14.115 19.365 1.00 0.00 H new ATOM 0 HA SER A 557 37.008 -13.366 18.911 1.00 0.00 H new ATOM 0 HB2 SER A 557 35.799 -11.183 18.282 1.00 0.00 H new ATOM 0 HB3 SER A 557 35.152 -12.603 17.484 1.00 0.00 H new ATOM 0 HG SER A 557 33.539 -11.149 18.485 1.00 0.00 H new ATOM 379 N GLN A 558 36.053 -12.560 21.823 1.00 0.00 N ATOM 380 CA GLN A 558 36.482 -12.103 23.158 1.00 0.00 C ATOM 381 C GLN A 558 36.220 -10.617 23.500 1.00 0.00 C ATOM 382 O GLN A 558 35.842 -10.315 24.636 1.00 0.00 O ATOM 383 CB GLN A 558 37.923 -12.591 23.427 1.00 0.00 C ATOM 384 CG GLN A 558 38.466 -12.302 24.842 1.00 0.00 C ATOM 385 CD GLN A 558 39.045 -10.897 25.054 1.00 0.00 C ATOM 386 OE1 GLN A 558 38.855 -10.269 26.090 1.00 0.00 O ATOM 387 NE2 GLN A 558 39.783 -10.340 24.113 1.00 0.00 N ATOM 0 H GLN A 558 35.272 -13.213 21.891 1.00 0.00 H new ATOM 0 HA GLN A 558 35.815 -12.576 23.878 1.00 0.00 H new ATOM 0 HB2 GLN A 558 37.963 -13.666 23.254 1.00 0.00 H new ATOM 0 HB3 GLN A 558 38.588 -12.126 22.699 1.00 0.00 H new ATOM 0 HG2 GLN A 558 37.660 -12.456 25.560 1.00 0.00 H new ATOM 0 HG3 GLN A 558 39.241 -13.034 25.071 1.00 0.00 H new ATOM 0 HE21 GLN A 558 39.958 -10.838 23.241 1.00 0.00 H new ATOM 0 HE22 GLN A 558 40.178 -9.411 24.258 1.00 0.00 H new ATOM 396 N ASP A 559 36.351 -9.692 22.545 1.00 0.00 N ATOM 397 CA ASP A 559 36.099 -8.246 22.720 1.00 0.00 C ATOM 398 C ASP A 559 35.086 -7.668 21.698 1.00 0.00 C ATOM 399 O ASP A 559 34.977 -6.455 21.533 1.00 0.00 O ATOM 400 CB ASP A 559 37.444 -7.493 22.699 1.00 0.00 C ATOM 401 CG ASP A 559 37.406 -6.071 23.300 1.00 0.00 C ATOM 402 OD1 ASP A 559 38.245 -5.233 22.892 1.00 0.00 O ATOM 403 OD2 ASP A 559 36.614 -5.800 24.238 1.00 0.00 O ATOM 0 H ASP A 559 36.644 -9.929 21.597 1.00 0.00 H new ATOM 0 HA ASP A 559 35.621 -8.103 23.689 1.00 0.00 H new ATOM 0 HB2 ASP A 559 38.181 -8.082 23.244 1.00 0.00 H new ATOM 0 HB3 ASP A 559 37.789 -7.426 21.667 1.00 0.00 H new ATOM 408 N MET A 560 34.354 -8.550 21.000 1.00 0.00 N ATOM 409 CA MET A 560 33.341 -8.227 19.971 1.00 0.00 C ATOM 410 C MET A 560 33.871 -7.367 18.803 1.00 0.00 C ATOM 411 O MET A 560 33.091 -6.717 18.109 1.00 0.00 O ATOM 412 CB MET A 560 32.071 -7.630 20.618 1.00 0.00 C ATOM 413 CG MET A 560 31.505 -8.538 21.709 1.00 0.00 C ATOM 414 SD MET A 560 30.062 -7.892 22.595 1.00 0.00 S ATOM 415 CE MET A 560 28.789 -8.172 21.340 1.00 0.00 C ATOM 0 H MET A 560 34.453 -9.555 21.141 1.00 0.00 H new ATOM 0 HA MET A 560 33.072 -9.174 19.504 1.00 0.00 H new ATOM 0 HB2 MET A 560 32.305 -6.654 21.043 1.00 0.00 H new ATOM 0 HB3 MET A 560 31.314 -7.470 19.850 1.00 0.00 H new ATOM 0 HG2 MET A 560 31.235 -9.493 21.258 1.00 0.00 H new ATOM 0 HG3 MET A 560 32.294 -8.740 22.434 1.00 0.00 H new ATOM 0 HE1 MET A 560 27.822 -7.847 21.724 1.00 0.00 H new ATOM 0 HE2 MET A 560 29.033 -7.605 20.442 1.00 0.00 H new ATOM 0 HE3 MET A 560 28.744 -9.234 21.098 1.00 0.00 H new ATOM 425 N ALA A 561 35.185 -7.383 18.567 1.00 0.00 N ATOM 426 CA ALA A 561 35.901 -6.494 17.654 1.00 0.00 C ATOM 427 C ALA A 561 36.885 -7.269 16.741 1.00 0.00 C ATOM 428 O ALA A 561 37.418 -8.306 17.147 1.00 0.00 O ATOM 429 CB ALA A 561 36.631 -5.443 18.502 1.00 0.00 C ATOM 0 H ALA A 561 35.806 -8.047 19.029 1.00 0.00 H new ATOM 0 HA ALA A 561 35.192 -6.010 16.982 1.00 0.00 H new ATOM 0 HB1 ALA A 561 37.176 -4.763 17.848 1.00 0.00 H new ATOM 0 HB2 ALA A 561 35.905 -4.879 19.087 1.00 0.00 H new ATOM 0 HB3 ALA A 561 37.331 -5.940 19.174 1.00 0.00 H new ATOM 435 N PHE A 562 37.170 -6.744 15.547 1.00 0.00 N ATOM 436 CA PHE A 562 38.208 -7.235 14.620 1.00 0.00 C ATOM 437 C PHE A 562 38.814 -6.091 13.779 1.00 0.00 C ATOM 438 O PHE A 562 38.187 -5.049 13.580 1.00 0.00 O ATOM 439 CB PHE A 562 37.660 -8.338 13.689 1.00 0.00 C ATOM 440 CG PHE A 562 37.680 -9.753 14.243 1.00 0.00 C ATOM 441 CD1 PHE A 562 38.878 -10.303 14.745 1.00 0.00 C ATOM 442 CD2 PHE A 562 36.525 -10.555 14.167 1.00 0.00 C ATOM 443 CE1 PHE A 562 38.900 -11.631 15.209 1.00 0.00 C ATOM 444 CE2 PHE A 562 36.553 -11.891 14.616 1.00 0.00 C ATOM 445 CZ PHE A 562 37.740 -12.426 15.147 1.00 0.00 C ATOM 0 H PHE A 562 36.669 -5.935 15.180 1.00 0.00 H new ATOM 0 HA PHE A 562 38.999 -7.662 15.237 1.00 0.00 H new ATOM 0 HB2 PHE A 562 36.632 -8.087 13.428 1.00 0.00 H new ATOM 0 HB3 PHE A 562 38.237 -8.324 12.764 1.00 0.00 H new ATOM 0 HD1 PHE A 562 39.777 -9.705 14.773 1.00 0.00 H new ATOM 0 HD2 PHE A 562 35.612 -10.144 13.762 1.00 0.00 H new ATOM 0 HE1 PHE A 562 39.812 -12.043 15.615 1.00 0.00 H new ATOM 0 HE2 PHE A 562 35.665 -12.502 14.552 1.00 0.00 H new ATOM 0 HZ PHE A 562 37.762 -13.444 15.506 1.00 0.00 H new ATOM 455 N LYS A 563 40.040 -6.274 13.276 1.00 0.00 N ATOM 456 CA LYS A 563 40.771 -5.272 12.478 1.00 0.00 C ATOM 457 C LYS A 563 40.429 -5.323 10.977 1.00 0.00 C ATOM 458 O LYS A 563 40.102 -6.389 10.455 1.00 0.00 O ATOM 459 CB LYS A 563 42.283 -5.502 12.712 1.00 0.00 C ATOM 460 CG LYS A 563 43.180 -4.334 12.287 1.00 0.00 C ATOM 461 CD LYS A 563 44.658 -4.658 12.556 1.00 0.00 C ATOM 462 CE LYS A 563 45.586 -3.485 12.221 1.00 0.00 C ATOM 463 NZ LYS A 563 45.479 -2.376 13.213 1.00 0.00 N ATOM 0 H LYS A 563 40.565 -7.138 13.412 1.00 0.00 H new ATOM 0 HA LYS A 563 40.471 -4.276 12.804 1.00 0.00 H new ATOM 0 HB2 LYS A 563 42.447 -5.702 13.771 1.00 0.00 H new ATOM 0 HB3 LYS A 563 42.590 -6.395 12.168 1.00 0.00 H new ATOM 0 HG2 LYS A 563 43.035 -4.125 11.227 1.00 0.00 H new ATOM 0 HG3 LYS A 563 42.895 -3.434 12.831 1.00 0.00 H new ATOM 0 HD2 LYS A 563 44.783 -4.928 13.605 1.00 0.00 H new ATOM 0 HD3 LYS A 563 44.949 -5.527 11.967 1.00 0.00 H new ATOM 0 HE2 LYS A 563 46.616 -3.839 12.185 1.00 0.00 H new ATOM 0 HE3 LYS A 563 45.344 -3.106 11.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 46.125 -1.606 12.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 44.502 -2.019 13.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 45.735 -2.729 14.157 1.00 0.00 H new ATOM 477 N CYS A 564 40.573 -4.179 10.296 1.00 0.00 N ATOM 478 CA CYS A 564 40.613 -4.030 8.841 1.00 0.00 C ATOM 479 C CYS A 564 42.072 -3.771 8.398 1.00 0.00 C ATOM 480 O CYS A 564 42.534 -2.632 8.545 1.00 0.00 O ATOM 481 CB CYS A 564 39.753 -2.838 8.393 1.00 0.00 C ATOM 482 SG CYS A 564 39.503 -2.947 6.573 1.00 0.00 S ATOM 0 H CYS A 564 40.670 -3.284 10.775 1.00 0.00 H new ATOM 0 HA CYS A 564 40.226 -4.943 8.389 1.00 0.00 H new ATOM 0 HB2 CYS A 564 38.793 -2.849 8.908 1.00 0.00 H new ATOM 0 HB3 CYS A 564 40.243 -1.899 8.652 1.00 0.00 H new ATOM 0 HG CYS A 564 38.426 -2.298 6.243 1.00 0.00 H new ATOM 487 N PRO A 565 42.818 -4.756 7.866 1.00 0.00 N ATOM 488 CA PRO A 565 44.184 -4.538 7.368 1.00 0.00 C ATOM 489 C PRO A 565 44.314 -3.535 6.206 1.00 0.00 C ATOM 490 O PRO A 565 45.404 -2.995 5.989 1.00 0.00 O ATOM 491 CB PRO A 565 44.686 -5.926 6.956 1.00 0.00 C ATOM 492 CG PRO A 565 43.860 -6.889 7.808 1.00 0.00 C ATOM 493 CD PRO A 565 42.517 -6.175 7.908 1.00 0.00 C ATOM 0 HA PRO A 565 44.779 -4.075 8.155 1.00 0.00 H new ATOM 0 HB2 PRO A 565 44.534 -6.105 5.892 1.00 0.00 H new ATOM 0 HB3 PRO A 565 45.753 -6.038 7.149 1.00 0.00 H new ATOM 0 HG2 PRO A 565 43.765 -7.867 7.337 1.00 0.00 H new ATOM 0 HG3 PRO A 565 44.308 -7.049 8.789 1.00 0.00 H new ATOM 0 HD2 PRO A 565 41.861 -6.460 7.086 1.00 0.00 H new ATOM 0 HD3 PRO A 565 42.002 -6.438 8.832 1.00 0.00 H new ATOM 501 N ILE A 566 43.234 -3.268 5.455 1.00 0.00 N ATOM 502 CA ILE A 566 43.231 -2.366 4.283 1.00 0.00 C ATOM 503 C ILE A 566 43.336 -0.888 4.703 1.00 0.00 C ATOM 504 O ILE A 566 44.289 -0.214 4.311 1.00 0.00 O ATOM 505 CB ILE A 566 42.001 -2.619 3.385 1.00 0.00 C ATOM 506 CG1 ILE A 566 42.054 -4.034 2.753 1.00 0.00 C ATOM 507 CG2 ILE A 566 41.899 -1.555 2.271 1.00 0.00 C ATOM 508 CD1 ILE A 566 40.727 -4.496 2.128 1.00 0.00 C ATOM 0 H ILE A 566 42.320 -3.678 5.645 1.00 0.00 H new ATOM 0 HA ILE A 566 44.119 -2.593 3.692 1.00 0.00 H new ATOM 0 HB ILE A 566 41.116 -2.550 4.018 1.00 0.00 H new ATOM 0 HG12 ILE A 566 42.828 -4.048 1.986 1.00 0.00 H new ATOM 0 HG13 ILE A 566 42.351 -4.751 3.519 1.00 0.00 H new ATOM 0 HG21 ILE A 566 41.024 -1.757 1.654 1.00 0.00 H new ATOM 0 HG22 ILE A 566 41.806 -0.566 2.720 1.00 0.00 H new ATOM 0 HG23 ILE A 566 42.796 -1.589 1.652 1.00 0.00 H new ATOM 0 HD11 ILE A 566 40.850 -5.495 1.709 1.00 0.00 H new ATOM 0 HD12 ILE A 566 39.952 -4.517 2.894 1.00 0.00 H new ATOM 0 HD13 ILE A 566 40.437 -3.804 1.337 1.00 0.00 H new ATOM 520 N CYS A 567 42.394 -0.402 5.523 1.00 0.00 N ATOM 521 CA CYS A 567 42.370 0.980 6.017 1.00 0.00 C ATOM 522 C CYS A 567 42.964 1.134 7.443 1.00 0.00 C ATOM 523 O CYS A 567 42.978 2.238 7.994 1.00 0.00 O ATOM 524 CB CYS A 567 40.953 1.562 5.855 1.00 0.00 C ATOM 525 SG CYS A 567 39.790 0.917 7.096 1.00 0.00 S ATOM 0 H CYS A 567 41.617 -0.966 5.866 1.00 0.00 H new ATOM 0 HA CYS A 567 43.042 1.579 5.402 1.00 0.00 H new ATOM 0 HB2 CYS A 567 40.998 2.648 5.934 1.00 0.00 H new ATOM 0 HB3 CYS A 567 40.580 1.330 4.857 1.00 0.00 H new ATOM 0 HG CYS A 567 39.669 -0.369 6.950 1.00 0.00 H new ATOM 530 N LYS A 568 43.465 0.028 8.016 1.00 0.00 N ATOM 531 CA LYS A 568 44.035 -0.105 9.376 1.00 0.00 C ATOM 532 C LYS A 568 43.084 0.368 10.486 1.00 0.00 C ATOM 533 O LYS A 568 43.501 1.049 11.427 1.00 0.00 O ATOM 534 CB LYS A 568 45.502 0.381 9.458 1.00 0.00 C ATOM 535 CG LYS A 568 45.761 1.876 9.183 1.00 0.00 C ATOM 536 CD LYS A 568 47.202 2.318 9.488 1.00 0.00 C ATOM 537 CE LYS A 568 48.223 1.629 8.572 1.00 0.00 C ATOM 538 NZ LYS A 568 49.604 2.124 8.813 1.00 0.00 N ATOM 0 H LYS A 568 43.486 -0.859 7.512 1.00 0.00 H new ATOM 0 HA LYS A 568 44.119 -1.170 9.590 1.00 0.00 H new ATOM 0 HB2 LYS A 568 45.880 0.149 10.454 1.00 0.00 H new ATOM 0 HB3 LYS A 568 46.092 -0.201 8.750 1.00 0.00 H new ATOM 0 HG2 LYS A 568 45.539 2.088 8.137 1.00 0.00 H new ATOM 0 HG3 LYS A 568 45.073 2.472 9.783 1.00 0.00 H new ATOM 0 HD2 LYS A 568 47.282 3.399 9.371 1.00 0.00 H new ATOM 0 HD3 LYS A 568 47.438 2.092 10.528 1.00 0.00 H new ATOM 0 HE2 LYS A 568 48.189 0.552 8.736 1.00 0.00 H new ATOM 0 HE3 LYS A 568 47.952 1.802 7.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 50.264 1.635 8.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 49.642 3.147 8.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 49.873 1.936 9.800 1.00 0.00 H new ATOM 552 N GLU A 569 41.800 0.006 10.374 1.00 0.00 N ATOM 553 CA GLU A 569 40.758 0.364 11.363 1.00 0.00 C ATOM 554 C GLU A 569 40.276 -0.857 12.168 1.00 0.00 C ATOM 555 O GLU A 569 40.803 -1.956 12.004 1.00 0.00 O ATOM 556 CB GLU A 569 39.593 1.085 10.656 1.00 0.00 C ATOM 557 CG GLU A 569 39.915 2.530 10.232 1.00 0.00 C ATOM 558 CD GLU A 569 40.235 3.487 11.405 1.00 0.00 C ATOM 559 OE1 GLU A 569 39.768 3.254 12.547 1.00 0.00 O ATOM 560 OE2 GLU A 569 40.930 4.506 11.182 1.00 0.00 O ATOM 0 H GLU A 569 41.446 -0.546 9.593 1.00 0.00 H new ATOM 0 HA GLU A 569 41.197 1.047 12.090 1.00 0.00 H new ATOM 0 HB2 GLU A 569 39.308 0.513 9.773 1.00 0.00 H new ATOM 0 HB3 GLU A 569 38.729 1.096 11.321 1.00 0.00 H new ATOM 0 HG2 GLU A 569 40.765 2.514 9.550 1.00 0.00 H new ATOM 0 HG3 GLU A 569 39.067 2.929 9.675 1.00 0.00 H new ATOM 567 N THR A 570 39.294 -0.679 13.058 1.00 0.00 N ATOM 568 CA THR A 570 38.700 -1.755 13.876 1.00 0.00 C ATOM 569 C THR A 570 37.171 -1.694 13.835 1.00 0.00 C ATOM 570 O THR A 570 36.568 -0.688 14.223 1.00 0.00 O ATOM 571 CB THR A 570 39.215 -1.687 15.326 1.00 0.00 C ATOM 572 OG1 THR A 570 40.611 -1.913 15.370 1.00 0.00 O ATOM 573 CG2 THR A 570 38.593 -2.726 16.257 1.00 0.00 C ATOM 0 H THR A 570 38.877 0.235 13.238 1.00 0.00 H new ATOM 0 HA THR A 570 39.008 -2.711 13.452 1.00 0.00 H new ATOM 0 HB THR A 570 38.938 -0.689 15.666 1.00 0.00 H new ATOM 0 HG1 THR A 570 40.921 -1.865 16.298 1.00 0.00 H new ATOM 0 HG21 THR A 570 39.008 -2.612 17.258 1.00 0.00 H new ATOM 0 HG22 THR A 570 37.513 -2.582 16.293 1.00 0.00 H new ATOM 0 HG23 THR A 570 38.814 -3.726 15.885 1.00 0.00 H new ATOM 581 N VAL A 571 36.535 -2.776 13.375 1.00 0.00 N ATOM 582 CA VAL A 571 35.085 -3.003 13.493 1.00 0.00 C ATOM 583 C VAL A 571 34.747 -3.552 14.876 1.00 0.00 C ATOM 584 O VAL A 571 35.538 -4.281 15.474 1.00 0.00 O ATOM 585 CB VAL A 571 34.516 -3.975 12.437 1.00 0.00 C ATOM 586 CG1 VAL A 571 34.108 -3.202 11.190 1.00 0.00 C ATOM 587 CG2 VAL A 571 35.434 -5.137 12.072 1.00 0.00 C ATOM 0 H VAL A 571 37.021 -3.536 12.900 1.00 0.00 H new ATOM 0 HA VAL A 571 34.625 -2.029 13.327 1.00 0.00 H new ATOM 0 HB VAL A 571 33.646 -4.440 12.901 1.00 0.00 H new ATOM 0 HG11 VAL A 571 33.707 -3.893 10.448 1.00 0.00 H new ATOM 0 HG12 VAL A 571 33.346 -2.467 11.450 1.00 0.00 H new ATOM 0 HG13 VAL A 571 34.978 -2.692 10.777 1.00 0.00 H new ATOM 0 HG21 VAL A 571 34.948 -5.764 11.324 1.00 0.00 H new ATOM 0 HG22 VAL A 571 36.369 -4.749 11.668 1.00 0.00 H new ATOM 0 HG23 VAL A 571 35.642 -5.730 12.963 1.00 0.00 H new ATOM 597 N THR A 572 33.549 -3.244 15.372 1.00 0.00 N ATOM 598 CA THR A 572 32.990 -3.834 16.604 1.00 0.00 C ATOM 599 C THR A 572 31.461 -3.938 16.560 1.00 0.00 C ATOM 600 O THR A 572 30.794 -3.255 15.777 1.00 0.00 O ATOM 601 CB THR A 572 33.540 -3.155 17.871 1.00 0.00 C ATOM 602 OG1 THR A 572 32.896 -3.608 19.038 1.00 0.00 O ATOM 603 CG2 THR A 572 33.449 -1.636 17.829 1.00 0.00 C ATOM 0 H THR A 572 32.925 -2.569 14.929 1.00 0.00 H new ATOM 0 HA THR A 572 33.338 -4.865 16.658 1.00 0.00 H new ATOM 0 HB THR A 572 34.592 -3.438 17.897 1.00 0.00 H new ATOM 0 HG1 THR A 572 33.276 -3.154 19.819 1.00 0.00 H new ATOM 0 HG21 THR A 572 33.854 -1.222 18.752 1.00 0.00 H new ATOM 0 HG22 THR A 572 34.022 -1.260 16.981 1.00 0.00 H new ATOM 0 HG23 THR A 572 32.406 -1.337 17.723 1.00 0.00 H new ATOM 611 N GLY A 573 30.922 -4.872 17.344 1.00 0.00 N ATOM 612 CA GLY A 573 29.532 -5.328 17.314 1.00 0.00 C ATOM 613 C GLY A 573 28.453 -4.263 17.548 1.00 0.00 C ATOM 614 O GLY A 573 28.633 -3.341 18.346 1.00 0.00 O ATOM 0 H GLY A 573 31.472 -5.356 18.054 1.00 0.00 H new ATOM 0 HA2 GLY A 573 29.347 -5.793 16.346 1.00 0.00 H new ATOM 0 HA3 GLY A 573 29.412 -6.105 18.069 1.00 0.00 H new ATOM 618 N VAL A 574 27.290 -4.459 16.912 1.00 0.00 N ATOM 619 CA VAL A 574 26.068 -3.654 17.087 1.00 0.00 C ATOM 620 C VAL A 574 24.821 -4.538 17.188 1.00 0.00 C ATOM 621 O VAL A 574 24.646 -5.440 16.374 1.00 0.00 O ATOM 622 CB VAL A 574 25.908 -2.646 15.923 1.00 0.00 C ATOM 623 CG1 VAL A 574 24.657 -1.772 16.096 1.00 0.00 C ATOM 624 CG2 VAL A 574 27.114 -1.706 15.785 1.00 0.00 C ATOM 0 H VAL A 574 27.167 -5.212 16.234 1.00 0.00 H new ATOM 0 HA VAL A 574 26.171 -3.105 18.023 1.00 0.00 H new ATOM 0 HB VAL A 574 25.822 -3.260 15.026 1.00 0.00 H new ATOM 0 HG11 VAL A 574 24.580 -1.078 15.259 1.00 0.00 H new ATOM 0 HG12 VAL A 574 23.771 -2.406 16.124 1.00 0.00 H new ATOM 0 HG13 VAL A 574 24.731 -1.211 17.027 1.00 0.00 H new ATOM 0 HG21 VAL A 574 26.948 -1.021 14.954 1.00 0.00 H new ATOM 0 HG22 VAL A 574 27.238 -1.136 16.706 1.00 0.00 H new ATOM 0 HG23 VAL A 574 28.013 -2.293 15.597 1.00 0.00 H new ATOM 634 N TYR A 575 23.943 -4.304 18.164 1.00 0.00 N ATOM 635 CA TYR A 575 22.775 -5.159 18.406 1.00 0.00 C ATOM 636 C TYR A 575 21.660 -4.981 17.356 1.00 0.00 C ATOM 637 O TYR A 575 21.198 -3.860 17.113 1.00 0.00 O ATOM 638 CB TYR A 575 22.236 -4.930 19.821 1.00 0.00 C ATOM 639 CG TYR A 575 21.176 -5.936 20.234 1.00 0.00 C ATOM 640 CD1 TYR A 575 21.561 -7.253 20.556 1.00 0.00 C ATOM 641 CD2 TYR A 575 19.819 -5.564 20.305 1.00 0.00 C ATOM 642 CE1 TYR A 575 20.597 -8.195 20.966 1.00 0.00 C ATOM 643 CE2 TYR A 575 18.853 -6.505 20.706 1.00 0.00 C ATOM 644 CZ TYR A 575 19.238 -7.819 21.046 1.00 0.00 C ATOM 645 OH TYR A 575 18.293 -8.710 21.459 1.00 0.00 O ATOM 0 H TYR A 575 24.019 -3.518 18.810 1.00 0.00 H new ATOM 0 HA TYR A 575 23.115 -6.190 18.311 1.00 0.00 H new ATOM 0 HB2 TYR A 575 23.064 -4.975 20.529 1.00 0.00 H new ATOM 0 HB3 TYR A 575 21.817 -3.926 19.884 1.00 0.00 H new ATOM 0 HD1 TYR A 575 22.600 -7.541 20.488 1.00 0.00 H new ATOM 0 HD2 TYR A 575 19.521 -4.557 20.052 1.00 0.00 H new ATOM 0 HE1 TYR A 575 20.896 -9.202 21.218 1.00 0.00 H new ATOM 0 HE2 TYR A 575 17.812 -6.220 20.754 1.00 0.00 H new ATOM 0 HH TYR A 575 17.413 -8.279 21.454 1.00 0.00 H new ATOM 655 N ASP A 576 21.204 -6.086 16.760 1.00 0.00 N ATOM 656 CA ASP A 576 20.013 -6.170 15.910 1.00 0.00 C ATOM 657 C ASP A 576 18.818 -6.719 16.711 1.00 0.00 C ATOM 658 O ASP A 576 18.871 -7.842 17.224 1.00 0.00 O ATOM 659 CB ASP A 576 20.288 -7.089 14.710 1.00 0.00 C ATOM 660 CG ASP A 576 19.069 -7.254 13.792 1.00 0.00 C ATOM 661 OD1 ASP A 576 18.247 -6.316 13.670 1.00 0.00 O ATOM 662 OD2 ASP A 576 18.908 -8.347 13.205 1.00 0.00 O ATOM 0 H ASP A 576 21.675 -6.985 16.861 1.00 0.00 H new ATOM 0 HA ASP A 576 19.772 -5.168 15.554 1.00 0.00 H new ATOM 0 HB2 ASP A 576 21.119 -6.685 14.132 1.00 0.00 H new ATOM 0 HB3 ASP A 576 20.598 -8.069 15.073 1.00 0.00 H new ATOM 667 N GLU A 577 17.714 -5.969 16.775 1.00 0.00 N ATOM 668 CA GLU A 577 16.484 -6.383 17.465 1.00 0.00 C ATOM 669 C GLU A 577 15.685 -7.471 16.715 1.00 0.00 C ATOM 670 O GLU A 577 14.918 -8.204 17.346 1.00 0.00 O ATOM 671 CB GLU A 577 15.573 -5.164 17.691 1.00 0.00 C ATOM 672 CG GLU A 577 16.224 -4.086 18.574 1.00 0.00 C ATOM 673 CD GLU A 577 15.235 -2.976 19.006 1.00 0.00 C ATOM 674 OE1 GLU A 577 14.388 -2.537 18.189 1.00 0.00 O ATOM 675 OE2 GLU A 577 15.313 -2.518 20.173 1.00 0.00 O ATOM 0 H GLU A 577 17.646 -5.047 16.345 1.00 0.00 H new ATOM 0 HA GLU A 577 16.804 -6.816 18.413 1.00 0.00 H new ATOM 0 HB2 GLU A 577 15.312 -4.728 16.727 1.00 0.00 H new ATOM 0 HB3 GLU A 577 14.643 -5.493 18.154 1.00 0.00 H new ATOM 0 HG2 GLU A 577 16.643 -4.557 19.463 1.00 0.00 H new ATOM 0 HG3 GLU A 577 17.054 -3.634 18.032 1.00 0.00 H new ATOM 682 N GLU A 578 15.830 -7.597 15.388 1.00 0.00 N ATOM 683 CA GLU A 578 15.048 -8.552 14.584 1.00 0.00 C ATOM 684 C GLU A 578 15.568 -9.992 14.728 1.00 0.00 C ATOM 685 O GLU A 578 14.798 -10.899 15.059 1.00 0.00 O ATOM 686 CB GLU A 578 14.987 -8.088 13.119 1.00 0.00 C ATOM 687 CG GLU A 578 14.107 -9.019 12.267 1.00 0.00 C ATOM 688 CD GLU A 578 13.830 -8.461 10.857 1.00 0.00 C ATOM 689 OE1 GLU A 578 14.122 -9.154 9.851 1.00 0.00 O ATOM 690 OE2 GLU A 578 13.303 -7.330 10.729 1.00 0.00 O ATOM 0 H GLU A 578 16.490 -7.043 14.842 1.00 0.00 H new ATOM 0 HA GLU A 578 14.028 -8.569 14.969 1.00 0.00 H new ATOM 0 HB2 GLU A 578 14.593 -7.073 13.074 1.00 0.00 H new ATOM 0 HB3 GLU A 578 15.994 -8.058 12.704 1.00 0.00 H new ATOM 0 HG2 GLU A 578 14.594 -9.990 12.178 1.00 0.00 H new ATOM 0 HG3 GLU A 578 13.159 -9.184 12.779 1.00 0.00 H new ATOM 697 N SER A 579 16.869 -10.221 14.515 1.00 0.00 N ATOM 698 CA SER A 579 17.520 -11.507 14.846 1.00 0.00 C ATOM 699 C SER A 579 17.729 -11.676 16.364 1.00 0.00 C ATOM 700 O SER A 579 17.775 -12.806 16.851 1.00 0.00 O ATOM 701 CB SER A 579 18.855 -11.656 14.118 1.00 0.00 C ATOM 702 OG SER A 579 19.771 -10.652 14.513 1.00 0.00 O ATOM 0 H SER A 579 17.502 -9.530 14.112 1.00 0.00 H new ATOM 0 HA SER A 579 16.845 -12.293 14.508 1.00 0.00 H new ATOM 0 HB2 SER A 579 19.277 -12.639 14.326 1.00 0.00 H new ATOM 0 HB3 SER A 579 18.693 -11.600 13.042 1.00 0.00 H new ATOM 0 HG SER A 579 19.539 -9.807 14.074 1.00 0.00 H new ATOM 708 N GLY A 580 17.812 -10.569 17.113 1.00 0.00 N ATOM 709 CA GLY A 580 18.017 -10.562 18.564 1.00 0.00 C ATOM 710 C GLY A 580 19.477 -10.817 18.969 1.00 0.00 C ATOM 711 O GLY A 580 19.737 -11.400 20.025 1.00 0.00 O ATOM 0 H GLY A 580 17.737 -9.632 16.716 1.00 0.00 H new ATOM 0 HA2 GLY A 580 17.698 -9.600 18.965 1.00 0.00 H new ATOM 0 HA3 GLY A 580 17.382 -11.323 19.018 1.00 0.00 H new ATOM 715 N GLU A 581 20.434 -10.439 18.117 1.00 0.00 N ATOM 716 CA GLU A 581 21.869 -10.738 18.249 1.00 0.00 C ATOM 717 C GLU A 581 22.762 -9.577 17.777 1.00 0.00 C ATOM 718 O GLU A 581 22.331 -8.704 17.016 1.00 0.00 O ATOM 719 CB GLU A 581 22.227 -12.021 17.473 1.00 0.00 C ATOM 720 CG GLU A 581 21.560 -13.283 18.038 1.00 0.00 C ATOM 721 CD GLU A 581 22.164 -14.570 17.433 1.00 0.00 C ATOM 722 OE1 GLU A 581 22.958 -15.255 18.122 1.00 0.00 O ATOM 723 OE2 GLU A 581 21.824 -14.930 16.277 1.00 0.00 O ATOM 0 H GLU A 581 20.225 -9.894 17.281 1.00 0.00 H new ATOM 0 HA GLU A 581 22.061 -10.886 19.312 1.00 0.00 H new ATOM 0 HB2 GLU A 581 21.933 -11.900 16.430 1.00 0.00 H new ATOM 0 HB3 GLU A 581 23.309 -12.154 17.486 1.00 0.00 H new ATOM 0 HG2 GLU A 581 21.676 -13.301 19.122 1.00 0.00 H new ATOM 0 HG3 GLU A 581 20.490 -13.252 17.832 1.00 0.00 H new ATOM 730 N TRP A 582 24.019 -9.549 18.234 1.00 0.00 N ATOM 731 CA TRP A 582 25.013 -8.548 17.829 1.00 0.00 C ATOM 732 C TRP A 582 25.612 -8.868 16.447 1.00 0.00 C ATOM 733 O TRP A 582 25.943 -10.022 16.171 1.00 0.00 O ATOM 734 CB TRP A 582 26.085 -8.445 18.928 1.00 0.00 C ATOM 735 CG TRP A 582 25.595 -7.967 20.267 1.00 0.00 C ATOM 736 CD1 TRP A 582 25.027 -8.738 21.227 1.00 0.00 C ATOM 737 CD2 TRP A 582 25.623 -6.614 20.818 1.00 0.00 C ATOM 738 NE1 TRP A 582 24.679 -7.954 22.312 1.00 0.00 N ATOM 739 CE2 TRP A 582 25.026 -6.633 22.115 1.00 0.00 C ATOM 740 CE3 TRP A 582 26.131 -5.377 20.371 1.00 0.00 C ATOM 741 CZ2 TRP A 582 24.902 -5.477 22.901 1.00 0.00 C ATOM 742 CZ3 TRP A 582 26.024 -4.209 21.152 1.00 0.00 C ATOM 743 CH2 TRP A 582 25.400 -4.258 22.415 1.00 0.00 C ATOM 0 H TRP A 582 24.379 -10.229 18.904 1.00 0.00 H new ATOM 0 HA TRP A 582 24.531 -7.577 17.720 1.00 0.00 H new ATOM 0 HB2 TRP A 582 26.543 -9.425 19.057 1.00 0.00 H new ATOM 0 HB3 TRP A 582 26.869 -7.769 18.585 1.00 0.00 H new ATOM 0 HD1 TRP A 582 24.870 -9.804 21.155 1.00 0.00 H new ATOM 0 HE1 TRP A 582 24.223 -8.308 23.153 1.00 0.00 H new ATOM 0 HE3 TRP A 582 26.614 -5.323 19.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 582 24.428 -5.525 23.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 582 26.421 -3.275 20.782 1.00 0.00 H new ATOM 0 HH2 TRP A 582 25.305 -3.360 23.007 1.00 0.00 H new ATOM 754 N VAL A 583 25.779 -7.861 15.588 1.00 0.00 N ATOM 755 CA VAL A 583 26.295 -7.966 14.211 1.00 0.00 C ATOM 756 C VAL A 583 27.419 -6.966 13.917 1.00 0.00 C ATOM 757 O VAL A 583 27.469 -5.870 14.468 1.00 0.00 O ATOM 758 CB VAL A 583 25.174 -7.805 13.161 1.00 0.00 C ATOM 759 CG1 VAL A 583 24.202 -8.989 13.203 1.00 0.00 C ATOM 760 CG2 VAL A 583 24.364 -6.503 13.278 1.00 0.00 C ATOM 0 H VAL A 583 25.548 -6.900 15.841 1.00 0.00 H new ATOM 0 HA VAL A 583 26.711 -8.971 14.135 1.00 0.00 H new ATOM 0 HB VAL A 583 25.703 -7.768 12.209 1.00 0.00 H new ATOM 0 HG11 VAL A 583 23.424 -8.848 12.453 1.00 0.00 H new ATOM 0 HG12 VAL A 583 24.743 -9.912 12.995 1.00 0.00 H new ATOM 0 HG13 VAL A 583 23.746 -9.051 14.191 1.00 0.00 H new ATOM 0 HG21 VAL A 583 23.601 -6.478 12.500 1.00 0.00 H new ATOM 0 HG22 VAL A 583 23.886 -6.458 14.257 1.00 0.00 H new ATOM 0 HG23 VAL A 583 25.030 -5.648 13.160 1.00 0.00 H new ATOM 770 N TRP A 584 28.309 -7.342 13.001 1.00 0.00 N ATOM 771 CA TRP A 584 29.336 -6.497 12.387 1.00 0.00 C ATOM 772 C TRP A 584 28.857 -5.967 11.033 1.00 0.00 C ATOM 773 O TRP A 584 28.807 -6.715 10.054 1.00 0.00 O ATOM 774 CB TRP A 584 30.606 -7.340 12.221 1.00 0.00 C ATOM 775 CG TRP A 584 31.436 -7.561 13.440 1.00 0.00 C ATOM 776 CD1 TRP A 584 31.865 -6.592 14.283 1.00 0.00 C ATOM 777 CD2 TRP A 584 32.015 -8.812 13.926 1.00 0.00 C ATOM 778 NE1 TRP A 584 32.612 -7.167 15.286 1.00 0.00 N ATOM 779 CE2 TRP A 584 32.783 -8.519 15.094 1.00 0.00 C ATOM 780 CE3 TRP A 584 31.970 -10.161 13.505 1.00 0.00 C ATOM 781 CZ2 TRP A 584 33.471 -9.509 15.806 1.00 0.00 C ATOM 782 CZ3 TRP A 584 32.666 -11.160 14.207 1.00 0.00 C ATOM 783 CH2 TRP A 584 33.404 -10.834 15.361 1.00 0.00 C ATOM 0 H TRP A 584 28.336 -8.298 12.646 1.00 0.00 H new ATOM 0 HA TRP A 584 29.541 -5.634 13.021 1.00 0.00 H new ATOM 0 HB2 TRP A 584 30.317 -8.314 11.827 1.00 0.00 H new ATOM 0 HB3 TRP A 584 31.232 -6.864 11.466 1.00 0.00 H new ATOM 0 HD1 TRP A 584 31.655 -5.537 14.184 1.00 0.00 H new ATOM 0 HE1 TRP A 584 32.994 -6.651 16.079 1.00 0.00 H new ATOM 0 HE3 TRP A 584 31.393 -10.427 12.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 584 34.044 -9.254 16.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 584 32.635 -12.182 13.860 1.00 0.00 H new ATOM 0 HH2 TRP A 584 33.921 -11.610 15.905 1.00 0.00 H new ATOM 794 N LYS A 585 28.472 -4.688 10.979 1.00 0.00 N ATOM 795 CA LYS A 585 28.002 -4.013 9.752 1.00 0.00 C ATOM 796 C LYS A 585 29.143 -3.777 8.753 1.00 0.00 C ATOM 797 O LYS A 585 30.280 -3.551 9.167 1.00 0.00 O ATOM 798 CB LYS A 585 27.315 -2.685 10.109 1.00 0.00 C ATOM 799 CG LYS A 585 26.069 -2.890 10.993 1.00 0.00 C ATOM 800 CD LYS A 585 25.318 -1.569 11.179 1.00 0.00 C ATOM 801 CE LYS A 585 24.102 -1.751 12.097 1.00 0.00 C ATOM 802 NZ LYS A 585 23.370 -0.466 12.279 1.00 0.00 N ATOM 0 H LYS A 585 28.476 -4.078 11.796 1.00 0.00 H new ATOM 0 HA LYS A 585 27.280 -4.671 9.268 1.00 0.00 H new ATOM 0 HB2 LYS A 585 28.024 -2.040 10.628 1.00 0.00 H new ATOM 0 HB3 LYS A 585 27.027 -2.170 9.193 1.00 0.00 H new ATOM 0 HG2 LYS A 585 25.410 -3.628 10.536 1.00 0.00 H new ATOM 0 HG3 LYS A 585 26.366 -3.286 11.964 1.00 0.00 H new ATOM 0 HD2 LYS A 585 25.989 -0.822 11.603 1.00 0.00 H new ATOM 0 HD3 LYS A 585 24.993 -1.192 10.209 1.00 0.00 H new ATOM 0 HE2 LYS A 585 23.431 -2.498 11.673 1.00 0.00 H new ATOM 0 HE3 LYS A 585 24.428 -2.128 13.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 585 22.553 -0.618 12.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 585 24.006 0.238 12.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 585 23.040 -0.121 11.355 1.00 0.00 H new ATOM 816 N ASN A 586 28.838 -3.800 7.452 1.00 0.00 N ATOM 817 CA ASN A 586 29.806 -3.598 6.354 1.00 0.00 C ATOM 818 C ASN A 586 31.062 -4.498 6.496 1.00 0.00 C ATOM 819 O ASN A 586 32.186 -4.010 6.402 1.00 0.00 O ATOM 820 CB ASN A 586 30.111 -2.079 6.236 1.00 0.00 C ATOM 821 CG ASN A 586 31.054 -1.701 5.099 1.00 0.00 C ATOM 822 OD1 ASN A 586 31.189 -2.382 4.099 1.00 0.00 O ATOM 823 ND2 ASN A 586 31.734 -0.584 5.207 1.00 0.00 N ATOM 0 H ASN A 586 27.888 -3.963 7.118 1.00 0.00 H new ATOM 0 HA ASN A 586 29.369 -3.923 5.410 1.00 0.00 H new ATOM 0 HB2 ASN A 586 29.171 -1.544 6.102 1.00 0.00 H new ATOM 0 HB3 ASN A 586 30.543 -1.736 7.176 1.00 0.00 H new ATOM 0 HD21 ASN A 586 32.365 -0.297 4.459 1.00 0.00 H new ATOM 0 HD22 ASN A 586 31.631 -0.003 6.039 1.00 0.00 H new ATOM 830 N THR A 587 30.892 -5.791 6.804 1.00 0.00 N ATOM 831 CA THR A 587 32.001 -6.699 7.173 1.00 0.00 C ATOM 832 C THR A 587 31.996 -8.029 6.411 1.00 0.00 C ATOM 833 O THR A 587 30.942 -8.595 6.118 1.00 0.00 O ATOM 834 CB THR A 587 32.035 -6.945 8.695 1.00 0.00 C ATOM 835 OG1 THR A 587 32.215 -5.718 9.373 1.00 0.00 O ATOM 836 CG2 THR A 587 33.195 -7.822 9.165 1.00 0.00 C ATOM 0 H THR A 587 29.978 -6.245 6.806 1.00 0.00 H new ATOM 0 HA THR A 587 32.913 -6.183 6.873 1.00 0.00 H new ATOM 0 HB THR A 587 31.090 -7.441 8.913 1.00 0.00 H new ATOM 0 HG1 THR A 587 31.454 -5.128 9.189 1.00 0.00 H new ATOM 0 HG21 THR A 587 33.144 -7.944 10.247 1.00 0.00 H new ATOM 0 HG22 THR A 587 33.130 -8.799 8.686 1.00 0.00 H new ATOM 0 HG23 THR A 587 34.140 -7.349 8.898 1.00 0.00 H new ATOM 844 N ILE A 588 33.200 -8.537 6.135 1.00 0.00 N ATOM 845 CA ILE A 588 33.517 -9.760 5.387 1.00 0.00 C ATOM 846 C ILE A 588 34.740 -10.467 6.003 1.00 0.00 C ATOM 847 O ILE A 588 35.616 -9.822 6.580 1.00 0.00 O ATOM 848 CB ILE A 588 33.707 -9.402 3.883 1.00 0.00 C ATOM 849 CG1 ILE A 588 34.229 -10.606 3.064 1.00 0.00 C ATOM 850 CG2 ILE A 588 34.648 -8.203 3.674 1.00 0.00 C ATOM 851 CD1 ILE A 588 34.229 -10.408 1.545 1.00 0.00 C ATOM 0 H ILE A 588 34.047 -8.067 6.454 1.00 0.00 H new ATOM 0 HA ILE A 588 32.693 -10.471 5.453 1.00 0.00 H new ATOM 0 HB ILE A 588 32.715 -9.128 3.523 1.00 0.00 H new ATOM 0 HG12 ILE A 588 35.246 -10.831 3.385 1.00 0.00 H new ATOM 0 HG13 ILE A 588 33.620 -11.478 3.301 1.00 0.00 H new ATOM 0 HG21 ILE A 588 34.744 -7.998 2.608 1.00 0.00 H new ATOM 0 HG22 ILE A 588 34.238 -7.327 4.177 1.00 0.00 H new ATOM 0 HG23 ILE A 588 35.629 -8.434 4.089 1.00 0.00 H new ATOM 0 HD11 ILE A 588 34.612 -11.306 1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 588 33.212 -10.217 1.203 1.00 0.00 H new ATOM 0 HD13 ILE A 588 34.863 -9.559 1.289 1.00 0.00 H new ATOM 863 N GLU A 589 34.829 -11.797 5.867 1.00 0.00 N ATOM 864 CA GLU A 589 36.008 -12.606 6.193 1.00 0.00 C ATOM 865 C GLU A 589 36.513 -13.324 4.929 1.00 0.00 C ATOM 866 O GLU A 589 35.749 -14.013 4.245 1.00 0.00 O ATOM 867 CB GLU A 589 35.685 -13.591 7.333 1.00 0.00 C ATOM 868 CG GLU A 589 36.900 -14.452 7.714 1.00 0.00 C ATOM 869 CD GLU A 589 36.638 -15.471 8.843 1.00 0.00 C ATOM 870 OE1 GLU A 589 37.620 -15.902 9.491 1.00 0.00 O ATOM 871 OE2 GLU A 589 35.481 -15.902 9.058 1.00 0.00 O ATOM 0 H GLU A 589 34.053 -12.358 5.514 1.00 0.00 H new ATOM 0 HA GLU A 589 36.809 -11.958 6.548 1.00 0.00 H new ATOM 0 HB2 GLU A 589 35.347 -13.035 8.207 1.00 0.00 H new ATOM 0 HB3 GLU A 589 34.863 -14.239 7.030 1.00 0.00 H new ATOM 0 HG2 GLU A 589 37.239 -14.990 6.829 1.00 0.00 H new ATOM 0 HG3 GLU A 589 37.714 -13.794 8.018 1.00 0.00 H new ATOM 878 N VAL A 590 37.801 -13.158 4.620 1.00 0.00 N ATOM 879 CA VAL A 590 38.494 -13.667 3.423 1.00 0.00 C ATOM 880 C VAL A 590 39.900 -14.122 3.793 1.00 0.00 C ATOM 881 O VAL A 590 40.632 -13.429 4.496 1.00 0.00 O ATOM 882 CB VAL A 590 38.463 -12.612 2.289 1.00 0.00 C ATOM 883 CG1 VAL A 590 39.608 -12.745 1.279 1.00 0.00 C ATOM 884 CG2 VAL A 590 37.160 -12.718 1.487 1.00 0.00 C ATOM 0 H VAL A 590 38.429 -12.635 5.231 1.00 0.00 H new ATOM 0 HA VAL A 590 37.974 -14.542 3.034 1.00 0.00 H new ATOM 0 HB VAL A 590 38.557 -11.656 2.803 1.00 0.00 H new ATOM 0 HG11 VAL A 590 39.514 -11.970 0.518 1.00 0.00 H new ATOM 0 HG12 VAL A 590 40.562 -12.634 1.794 1.00 0.00 H new ATOM 0 HG13 VAL A 590 39.563 -13.726 0.805 1.00 0.00 H new ATOM 0 HG21 VAL A 590 37.158 -11.969 0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 590 37.084 -13.712 1.046 1.00 0.00 H new ATOM 0 HG23 VAL A 590 36.311 -12.549 2.149 1.00 0.00 H new ATOM 894 N ASN A 591 40.252 -15.325 3.335 1.00 0.00 N ATOM 895 CA ASN A 591 41.555 -15.953 3.548 1.00 0.00 C ATOM 896 C ASN A 591 41.993 -16.004 5.034 1.00 0.00 C ATOM 897 O ASN A 591 43.168 -15.818 5.362 1.00 0.00 O ATOM 898 CB ASN A 591 42.577 -15.289 2.609 1.00 0.00 C ATOM 899 CG ASN A 591 42.231 -15.297 1.128 1.00 0.00 C ATOM 900 OD1 ASN A 591 42.432 -14.320 0.419 1.00 0.00 O ATOM 901 ND2 ASN A 591 41.717 -16.385 0.591 1.00 0.00 N ATOM 0 H ASN A 591 39.617 -15.906 2.788 1.00 0.00 H new ATOM 0 HA ASN A 591 41.484 -17.010 3.289 1.00 0.00 H new ATOM 0 HB2 ASN A 591 42.710 -14.254 2.924 1.00 0.00 H new ATOM 0 HB3 ASN A 591 43.537 -15.788 2.739 1.00 0.00 H new ATOM 0 HD21 ASN A 591 41.492 -16.405 -0.404 1.00 0.00 H new ATOM 0 HD22 ASN A 591 41.544 -17.207 1.170 1.00 0.00 H new ATOM 908 N GLY A 592 41.038 -16.226 5.945 1.00 0.00 N ATOM 909 CA GLY A 592 41.264 -16.302 7.397 1.00 0.00 C ATOM 910 C GLY A 592 41.419 -14.949 8.116 1.00 0.00 C ATOM 911 O GLY A 592 41.789 -14.928 9.294 1.00 0.00 O ATOM 0 H GLY A 592 40.060 -16.362 5.688 1.00 0.00 H new ATOM 0 HA2 GLY A 592 40.431 -16.840 7.849 1.00 0.00 H new ATOM 0 HA3 GLY A 592 42.161 -16.894 7.577 1.00 0.00 H new ATOM 915 N LYS A 593 41.159 -13.827 7.424 1.00 0.00 N ATOM 916 CA LYS A 593 41.277 -12.447 7.927 1.00 0.00 C ATOM 917 C LYS A 593 39.980 -11.662 7.716 1.00 0.00 C ATOM 918 O LYS A 593 39.249 -11.890 6.752 1.00 0.00 O ATOM 919 CB LYS A 593 42.452 -11.735 7.232 1.00 0.00 C ATOM 920 CG LYS A 593 43.816 -12.378 7.555 1.00 0.00 C ATOM 921 CD LYS A 593 44.969 -11.766 6.743 1.00 0.00 C ATOM 922 CE LYS A 593 44.866 -12.134 5.255 1.00 0.00 C ATOM 923 NZ LYS A 593 46.058 -11.664 4.496 1.00 0.00 N ATOM 0 H LYS A 593 40.846 -13.858 6.454 1.00 0.00 H new ATOM 0 HA LYS A 593 41.466 -12.492 9.000 1.00 0.00 H new ATOM 0 HB2 LYS A 593 42.294 -11.751 6.154 1.00 0.00 H new ATOM 0 HB3 LYS A 593 42.468 -10.688 7.536 1.00 0.00 H new ATOM 0 HG2 LYS A 593 44.025 -12.262 8.619 1.00 0.00 H new ATOM 0 HG3 LYS A 593 43.765 -13.448 7.355 1.00 0.00 H new ATOM 0 HD2 LYS A 593 44.957 -10.682 6.852 1.00 0.00 H new ATOM 0 HD3 LYS A 593 45.922 -12.116 7.141 1.00 0.00 H new ATOM 0 HE2 LYS A 593 44.770 -13.215 5.152 1.00 0.00 H new ATOM 0 HE3 LYS A 593 43.965 -11.692 4.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 45.958 -11.928 3.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 46.135 -10.630 4.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 46.915 -12.106 4.887 1.00 0.00 H new ATOM 937 N TYR A 594 39.692 -10.721 8.617 1.00 0.00 N ATOM 938 CA TYR A 594 38.523 -9.830 8.537 1.00 0.00 C ATOM 939 C TYR A 594 38.833 -8.544 7.758 1.00 0.00 C ATOM 940 O TYR A 594 39.963 -8.055 7.772 1.00 0.00 O ATOM 941 CB TYR A 594 37.997 -9.511 9.940 1.00 0.00 C ATOM 942 CG TYR A 594 37.057 -10.583 10.473 1.00 0.00 C ATOM 943 CD1 TYR A 594 35.677 -10.314 10.543 1.00 0.00 C ATOM 944 CD2 TYR A 594 37.545 -11.852 10.841 1.00 0.00 C ATOM 945 CE1 TYR A 594 34.783 -11.309 10.985 1.00 0.00 C ATOM 946 CE2 TYR A 594 36.654 -12.852 11.272 1.00 0.00 C ATOM 947 CZ TYR A 594 35.270 -12.582 11.352 1.00 0.00 C ATOM 948 OH TYR A 594 34.399 -13.544 11.774 1.00 0.00 O ATOM 0 H TYR A 594 40.272 -10.550 9.439 1.00 0.00 H new ATOM 0 HA TYR A 594 37.744 -10.356 7.985 1.00 0.00 H new ATOM 0 HB2 TYR A 594 38.839 -9.400 10.623 1.00 0.00 H new ATOM 0 HB3 TYR A 594 37.476 -8.554 9.919 1.00 0.00 H new ATOM 0 HD1 TYR A 594 35.303 -9.342 10.257 1.00 0.00 H new ATOM 0 HD2 TYR A 594 38.604 -12.058 10.792 1.00 0.00 H new ATOM 0 HE1 TYR A 594 33.725 -11.098 11.043 1.00 0.00 H new ATOM 0 HE2 TYR A 594 37.029 -13.828 11.542 1.00 0.00 H new ATOM 0 HH TYR A 594 34.894 -14.362 11.987 1.00 0.00 H new ATOM 958 N PHE A 595 37.814 -8.004 7.089 1.00 0.00 N ATOM 959 CA PHE A 595 37.871 -6.785 6.280 1.00 0.00 C ATOM 960 C PHE A 595 36.508 -6.071 6.246 1.00 0.00 C ATOM 961 O PHE A 595 35.465 -6.664 6.532 1.00 0.00 O ATOM 962 CB PHE A 595 38.305 -7.137 4.845 1.00 0.00 C ATOM 963 CG PHE A 595 39.662 -7.802 4.673 1.00 0.00 C ATOM 964 CD1 PHE A 595 39.747 -9.203 4.520 1.00 0.00 C ATOM 965 CD2 PHE A 595 40.831 -7.020 4.626 1.00 0.00 C ATOM 966 CE1 PHE A 595 40.997 -9.812 4.313 1.00 0.00 C ATOM 967 CE2 PHE A 595 42.079 -7.633 4.415 1.00 0.00 C ATOM 968 CZ PHE A 595 42.163 -9.028 4.263 1.00 0.00 C ATOM 0 H PHE A 595 36.884 -8.423 7.096 1.00 0.00 H new ATOM 0 HA PHE A 595 38.597 -6.110 6.733 1.00 0.00 H new ATOM 0 HB2 PHE A 595 37.550 -7.795 4.415 1.00 0.00 H new ATOM 0 HB3 PHE A 595 38.301 -6.220 4.256 1.00 0.00 H new ATOM 0 HD1 PHE A 595 38.852 -9.806 4.562 1.00 0.00 H new ATOM 0 HD2 PHE A 595 40.770 -5.949 4.752 1.00 0.00 H new ATOM 0 HE1 PHE A 595 41.062 -10.883 4.192 1.00 0.00 H new ATOM 0 HE2 PHE A 595 42.974 -7.031 4.370 1.00 0.00 H new ATOM 0 HZ PHE A 595 43.123 -9.497 4.108 1.00 0.00 H new ATOM 978 N HIS A 596 36.505 -4.795 5.852 1.00 0.00 N ATOM 979 CA HIS A 596 35.281 -4.053 5.519 1.00 0.00 C ATOM 980 C HIS A 596 34.831 -4.460 4.115 1.00 0.00 C ATOM 981 O HIS A 596 35.671 -4.596 3.217 1.00 0.00 O ATOM 982 CB HIS A 596 35.531 -2.542 5.510 1.00 0.00 C ATOM 983 CG HIS A 596 35.658 -1.835 6.826 1.00 0.00 C ATOM 984 ND1 HIS A 596 36.778 -1.087 7.151 1.00 0.00 N ATOM 985 CD2 HIS A 596 34.717 -1.708 7.806 1.00 0.00 C ATOM 986 CE1 HIS A 596 36.512 -0.515 8.334 1.00 0.00 C ATOM 987 NE2 HIS A 596 35.278 -0.869 8.754 1.00 0.00 N ATOM 0 H HIS A 596 37.356 -4.242 5.754 1.00 0.00 H new ATOM 0 HA HIS A 596 34.525 -4.285 6.270 1.00 0.00 H new ATOM 0 HB2 HIS A 596 36.445 -2.360 4.945 1.00 0.00 H new ATOM 0 HB3 HIS A 596 34.716 -2.073 4.958 1.00 0.00 H new ATOM 0 HD2 HIS A 596 33.739 -2.166 7.836 1.00 0.00 H new ATOM 0 HE1 HIS A 596 37.186 0.134 8.873 1.00 0.00 H new ATOM 0 HE2 HIS A 596 34.835 -0.569 9.622 1.00 0.00 H new ATOM 995 N SER A 597 33.528 -4.613 3.888 1.00 0.00 N ATOM 996 CA SER A 597 33.005 -4.986 2.565 1.00 0.00 C ATOM 997 C SER A 597 33.277 -3.893 1.518 1.00 0.00 C ATOM 998 O SER A 597 33.701 -4.214 0.411 1.00 0.00 O ATOM 999 CB SER A 597 31.514 -5.339 2.633 1.00 0.00 C ATOM 1000 OG SER A 597 31.273 -6.339 3.615 1.00 0.00 O ATOM 0 H SER A 597 32.810 -4.485 4.601 1.00 0.00 H new ATOM 0 HA SER A 597 33.540 -5.880 2.245 1.00 0.00 H new ATOM 0 HB2 SER A 597 30.935 -4.446 2.868 1.00 0.00 H new ATOM 0 HB3 SER A 597 31.175 -5.691 1.659 1.00 0.00 H new ATOM 0 HG SER A 597 30.499 -6.878 3.350 1.00 0.00 H new ATOM 1006 N THR A 598 33.149 -2.609 1.876 1.00 0.00 N ATOM 1007 CA THR A 598 33.530 -1.473 1.009 1.00 0.00 C ATOM 1008 C THR A 598 35.028 -1.452 0.674 1.00 0.00 C ATOM 1009 O THR A 598 35.388 -1.305 -0.494 1.00 0.00 O ATOM 1010 CB THR A 598 33.142 -0.120 1.647 1.00 0.00 C ATOM 1011 OG1 THR A 598 33.581 -0.035 2.988 1.00 0.00 O ATOM 1012 CG2 THR A 598 31.636 0.137 1.639 1.00 0.00 C ATOM 0 H THR A 598 32.776 -2.321 2.781 1.00 0.00 H new ATOM 0 HA THR A 598 32.975 -1.617 0.082 1.00 0.00 H new ATOM 0 HB THR A 598 33.635 0.632 1.031 1.00 0.00 H new ATOM 0 HG1 THR A 598 33.466 0.883 3.312 1.00 0.00 H new ATOM 0 HG21 THR A 598 31.429 1.103 2.101 1.00 0.00 H new ATOM 0 HG22 THR A 598 31.273 0.141 0.611 1.00 0.00 H new ATOM 0 HG23 THR A 598 31.130 -0.649 2.199 1.00 0.00 H new ATOM 1020 N CYS A 599 35.903 -1.645 1.668 1.00 0.00 N ATOM 1021 CA CYS A 599 37.352 -1.695 1.489 1.00 0.00 C ATOM 1022 C CYS A 599 37.760 -2.836 0.534 1.00 0.00 C ATOM 1023 O CYS A 599 38.445 -2.604 -0.468 1.00 0.00 O ATOM 1024 CB CYS A 599 38.014 -1.830 2.873 1.00 0.00 C ATOM 1025 SG CYS A 599 37.813 -0.308 3.858 1.00 0.00 S ATOM 0 H CYS A 599 35.614 -1.773 2.638 1.00 0.00 H new ATOM 0 HA CYS A 599 37.698 -0.773 1.021 1.00 0.00 H new ATOM 0 HB2 CYS A 599 37.574 -2.672 3.408 1.00 0.00 H new ATOM 0 HB3 CYS A 599 39.075 -2.049 2.751 1.00 0.00 H new ATOM 0 HG CYS A 599 37.472 -0.619 5.073 1.00 0.00 H new ATOM 1030 N TYR A 600 37.327 -4.064 0.834 1.00 0.00 N ATOM 1031 CA TYR A 600 37.647 -5.247 0.033 1.00 0.00 C ATOM 1032 C TYR A 600 37.092 -5.145 -1.399 1.00 0.00 C ATOM 1033 O TYR A 600 37.814 -5.441 -2.354 1.00 0.00 O ATOM 1034 CB TYR A 600 37.144 -6.497 0.768 1.00 0.00 C ATOM 1035 CG TYR A 600 37.397 -7.781 -0.004 1.00 0.00 C ATOM 1036 CD1 TYR A 600 38.666 -8.385 0.049 1.00 0.00 C ATOM 1037 CD2 TYR A 600 36.395 -8.332 -0.830 1.00 0.00 C ATOM 1038 CE1 TYR A 600 38.938 -9.530 -0.721 1.00 0.00 C ATOM 1039 CE2 TYR A 600 36.659 -9.485 -1.592 1.00 0.00 C ATOM 1040 CZ TYR A 600 37.935 -10.092 -1.538 1.00 0.00 C ATOM 1041 OH TYR A 600 38.194 -11.212 -2.262 1.00 0.00 O ATOM 0 H TYR A 600 36.741 -4.265 1.644 1.00 0.00 H new ATOM 0 HA TYR A 600 38.729 -5.318 -0.081 1.00 0.00 H new ATOM 0 HB2 TYR A 600 37.633 -6.562 1.740 1.00 0.00 H new ATOM 0 HB3 TYR A 600 36.075 -6.396 0.955 1.00 0.00 H new ATOM 0 HD1 TYR A 600 39.434 -7.968 0.683 1.00 0.00 H new ATOM 0 HD2 TYR A 600 35.421 -7.867 -0.878 1.00 0.00 H new ATOM 0 HE1 TYR A 600 39.919 -9.981 -0.687 1.00 0.00 H new ATOM 0 HE2 TYR A 600 35.887 -9.907 -2.218 1.00 0.00 H new ATOM 0 HH TYR A 600 37.395 -11.466 -2.769 1.00 0.00 H new ATOM 1051 N HIS A 601 35.858 -4.651 -1.575 1.00 0.00 N ATOM 1052 CA HIS A 601 35.239 -4.428 -2.891 1.00 0.00 C ATOM 1053 C HIS A 601 36.023 -3.417 -3.743 1.00 0.00 C ATOM 1054 O HIS A 601 36.261 -3.662 -4.926 1.00 0.00 O ATOM 1055 CB HIS A 601 33.789 -3.956 -2.690 1.00 0.00 C ATOM 1056 CG HIS A 601 33.024 -3.623 -3.952 1.00 0.00 C ATOM 1057 ND1 HIS A 601 32.066 -2.610 -4.060 1.00 0.00 N ATOM 1058 CD2 HIS A 601 33.090 -4.290 -5.141 1.00 0.00 C ATOM 1059 CE1 HIS A 601 31.587 -2.686 -5.313 1.00 0.00 C ATOM 1060 NE2 HIS A 601 32.183 -3.685 -5.984 1.00 0.00 N ATOM 0 H HIS A 601 35.253 -4.391 -0.796 1.00 0.00 H new ATOM 0 HA HIS A 601 35.253 -5.371 -3.437 1.00 0.00 H new ATOM 0 HB2 HIS A 601 33.245 -4.733 -2.152 1.00 0.00 H new ATOM 0 HB3 HIS A 601 33.799 -3.073 -2.050 1.00 0.00 H new ATOM 0 HD2 HIS A 601 33.729 -5.129 -5.376 1.00 0.00 H new ATOM 0 HE1 HIS A 601 30.829 -2.035 -5.723 1.00 0.00 H new ATOM 0 HE2 HIS A 601 31.997 -3.950 -6.951 1.00 0.00 H new ATOM 1068 N GLU A 602 36.457 -2.297 -3.158 1.00 0.00 N ATOM 1069 CA GLU A 602 37.242 -1.269 -3.859 1.00 0.00 C ATOM 1070 C GLU A 602 38.692 -1.709 -4.163 1.00 0.00 C ATOM 1071 O GLU A 602 39.243 -1.349 -5.206 1.00 0.00 O ATOM 1072 CB GLU A 602 37.198 0.030 -3.031 1.00 0.00 C ATOM 1073 CG GLU A 602 37.915 1.205 -3.717 1.00 0.00 C ATOM 1074 CD GLU A 602 37.551 2.559 -3.071 1.00 0.00 C ATOM 1075 OE1 GLU A 602 36.388 3.017 -3.204 1.00 0.00 O ATOM 1076 OE2 GLU A 602 38.441 3.200 -2.462 1.00 0.00 O ATOM 0 H GLU A 602 36.274 -2.074 -2.180 1.00 0.00 H new ATOM 0 HA GLU A 602 36.792 -1.101 -4.837 1.00 0.00 H new ATOM 0 HB2 GLU A 602 36.159 0.303 -2.848 1.00 0.00 H new ATOM 0 HB3 GLU A 602 37.656 -0.150 -2.058 1.00 0.00 H new ATOM 0 HG2 GLU A 602 38.993 1.055 -3.661 1.00 0.00 H new ATOM 0 HG3 GLU A 602 37.650 1.224 -4.774 1.00 0.00 H new ATOM 1083 N THR A 603 39.306 -2.501 -3.275 1.00 0.00 N ATOM 1084 CA THR A 603 40.735 -2.871 -3.339 1.00 0.00 C ATOM 1085 C THR A 603 41.011 -4.141 -4.151 1.00 0.00 C ATOM 1086 O THR A 603 41.977 -4.183 -4.916 1.00 0.00 O ATOM 1087 CB THR A 603 41.312 -3.019 -1.919 1.00 0.00 C ATOM 1088 OG1 THR A 603 41.173 -1.797 -1.226 1.00 0.00 O ATOM 1089 CG2 THR A 603 42.802 -3.366 -1.874 1.00 0.00 C ATOM 0 H THR A 603 38.821 -2.912 -2.477 1.00 0.00 H new ATOM 0 HA THR A 603 41.233 -2.057 -3.865 1.00 0.00 H new ATOM 0 HB THR A 603 40.753 -3.840 -1.470 1.00 0.00 H new ATOM 0 HG1 THR A 603 40.282 -1.751 -0.820 1.00 0.00 H new ATOM 0 HG21 THR A 603 43.125 -3.451 -0.836 1.00 0.00 H new ATOM 0 HG22 THR A 603 42.970 -4.314 -2.385 1.00 0.00 H new ATOM 0 HG23 THR A 603 43.374 -2.581 -2.368 1.00 0.00 H new