USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=9 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= -0.0936 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= -1.85! K(o=-1.8!,f=-0.55) USER MOD Single : A 572 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.005) USER MOD Single : A 575 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 583 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 588 GLN : amide:sc= -0.162 K(o=-0.16,f=-1.1) USER MOD Single : A 589 THR OG1 : rot 180:sc= 0 USER MOD Single : A 590 GLN : amide:sc= -0.0113 X(o=-0.011,f=-0.21) USER MOD Single : A 595 SER OG : rot 180:sc= 0 USER MOD Single : A 598 SER OG : rot 180:sc= 0 USER MOD Single : A 599 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.55) USER MOD Single : A 601 HIS : no HD1:sc= -1.99! C(o=-2!,f=-2.9!) USER MOD Single : A 603 GLN : amide:sc= -2.68! K(o=-2.7!,f=-1.9) USER MOD Single : A 604 THR OG1 : rot -150:sc= -0.751 USER MOD Single : A 605 GLN : amide:sc= -2.87! K(o=-2.9!,f=-0.46) USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 611 MET CE :methyl -111:sc= -0.61 (180deg=-2.21!) USER MOD Single : A 616 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.17) USER MOD Single : A 620 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 627 TYR OH : rot 180:sc= -0.0707 USER MOD Single : A 632 LYS NZ :NH3+ 163:sc= 1.2 (180deg=0.707) USER MOD ----------------------------------------------------------------- ATOM 198 N SER A 563 -23.049 0.749 -3.283 1.00 0.00 N ATOM 199 CA SER A 563 -23.158 1.366 -4.591 1.00 0.00 C ATOM 200 C SER A 563 -22.261 0.624 -5.574 1.00 0.00 C ATOM 201 O SER A 563 -21.385 -0.133 -5.145 1.00 0.00 O ATOM 202 CB SER A 563 -22.732 2.830 -4.499 1.00 0.00 C ATOM 203 OG SER A 563 -22.911 3.509 -5.731 1.00 0.00 O ATOM 0 HA SER A 563 -24.190 1.316 -4.938 1.00 0.00 H new ATOM 0 HB2 SER A 563 -23.311 3.329 -3.722 1.00 0.00 H new ATOM 0 HB3 SER A 563 -21.685 2.886 -4.202 1.00 0.00 H new ATOM 0 HG SER A 563 -22.630 4.443 -5.634 1.00 0.00 H new ATOM 209 N TYR A 564 -22.454 0.833 -6.875 1.00 0.00 N ATOM 210 CA TYR A 564 -21.590 0.204 -7.867 1.00 0.00 C ATOM 211 C TYR A 564 -20.145 0.610 -7.637 1.00 0.00 C ATOM 212 O TYR A 564 -19.226 -0.169 -7.899 1.00 0.00 O ATOM 213 CB TYR A 564 -21.998 0.558 -9.293 1.00 0.00 C ATOM 214 CG TYR A 564 -21.258 -0.267 -10.321 1.00 0.00 C ATOM 215 CD1 TYR A 564 -20.031 0.147 -10.826 1.00 0.00 C ATOM 216 CD2 TYR A 564 -21.776 -1.475 -10.763 1.00 0.00 C ATOM 217 CE1 TYR A 564 -19.343 -0.620 -11.743 1.00 0.00 C ATOM 218 CE2 TYR A 564 -21.097 -2.248 -11.684 1.00 0.00 C ATOM 219 CZ TYR A 564 -19.881 -1.817 -12.170 1.00 0.00 C ATOM 220 OH TYR A 564 -19.199 -2.587 -13.084 1.00 0.00 O ATOM 0 H TYR A 564 -23.190 1.424 -7.261 1.00 0.00 H new ATOM 0 HA TYR A 564 -21.696 -0.874 -7.747 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -23.071 0.405 -9.411 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -21.806 1.616 -9.472 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -19.609 1.085 -10.495 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -22.726 -1.817 -10.381 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -18.389 -0.286 -12.124 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -21.516 -3.184 -12.022 1.00 0.00 H new ATOM 0 HH TYR A 564 -19.714 -3.398 -13.278 1.00 0.00 H new ATOM 230 N LYS A 565 -19.950 1.831 -7.141 1.00 0.00 N ATOM 231 CA LYS A 565 -18.620 2.295 -6.778 1.00 0.00 C ATOM 232 C LYS A 565 -17.950 1.250 -5.911 1.00 0.00 C ATOM 233 O LYS A 565 -16.860 0.789 -6.204 1.00 0.00 O ATOM 234 CB LYS A 565 -18.676 3.598 -5.979 1.00 0.00 C ATOM 235 CG LYS A 565 -19.667 4.623 -6.487 1.00 0.00 C ATOM 236 CD LYS A 565 -19.647 5.861 -5.607 1.00 0.00 C ATOM 237 CE LYS A 565 -20.709 6.863 -6.016 1.00 0.00 C ATOM 238 NZ LYS A 565 -20.643 8.100 -5.194 1.00 0.00 N ATOM 0 H LYS A 565 -20.694 2.510 -6.983 1.00 0.00 H new ATOM 0 HA LYS A 565 -18.065 2.467 -7.700 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -18.922 3.361 -4.944 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -17.683 4.047 -5.976 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -19.424 4.895 -7.514 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -20.669 4.194 -6.500 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -19.803 5.570 -4.568 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -18.665 6.330 -5.663 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -20.583 7.118 -7.068 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -21.695 6.410 -5.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -21.384 8.762 -5.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -20.788 7.860 -4.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -19.711 8.545 -5.311 1.00 0.00 H new ATOM 252 N LEU A 566 -18.650 0.841 -4.873 1.00 0.00 N ATOM 253 CA LEU A 566 -18.107 -0.087 -3.905 1.00 0.00 C ATOM 254 C LEU A 566 -18.088 -1.491 -4.478 1.00 0.00 C ATOM 255 O LEU A 566 -17.264 -2.314 -4.095 1.00 0.00 O ATOM 256 CB LEU A 566 -18.921 -0.060 -2.615 1.00 0.00 C ATOM 257 CG LEU A 566 -18.948 1.278 -1.875 1.00 0.00 C ATOM 258 CD1 LEU A 566 -19.901 2.264 -2.530 1.00 0.00 C ATOM 259 CD2 LEU A 566 -19.336 1.054 -0.437 1.00 0.00 C ATOM 0 H LEU A 566 -19.605 1.141 -4.678 1.00 0.00 H new ATOM 0 HA LEU A 566 -17.086 0.217 -3.676 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -19.947 -0.346 -2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -18.524 -0.819 -1.941 1.00 0.00 H new ATOM 0 HG LEU A 566 -17.948 1.710 -1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -19.892 3.202 -1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -19.586 2.447 -3.557 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -20.910 1.851 -2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -19.354 2.009 0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -20.325 0.597 -0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -18.610 0.393 0.037 1.00 0.00 H new ATOM 271 N GLN A 567 -19.005 -1.753 -5.401 1.00 0.00 N ATOM 272 CA GLN A 567 -19.043 -3.032 -6.090 1.00 0.00 C ATOM 273 C GLN A 567 -17.717 -3.297 -6.785 1.00 0.00 C ATOM 274 O GLN A 567 -17.054 -4.292 -6.510 1.00 0.00 O ATOM 275 CB GLN A 567 -20.187 -3.077 -7.112 1.00 0.00 C ATOM 276 CG GLN A 567 -21.571 -3.022 -6.486 1.00 0.00 C ATOM 277 CD GLN A 567 -22.686 -3.249 -7.495 1.00 0.00 C ATOM 278 OE1 GLN A 567 -23.779 -2.695 -7.368 1.00 0.00 O ATOM 279 NE2 GLN A 567 -22.424 -4.078 -8.495 1.00 0.00 N ATOM 0 H GLN A 567 -19.731 -1.096 -5.688 1.00 0.00 H new ATOM 0 HA GLN A 567 -19.218 -3.808 -5.345 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -20.077 -2.241 -7.803 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -20.101 -3.991 -7.700 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -21.639 -3.775 -5.701 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -21.711 -2.051 -6.010 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -21.506 -4.518 -8.566 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -23.140 -4.277 -9.194 1.00 0.00 H new ATOM 288 N ARG A 568 -17.313 -2.385 -7.660 1.00 0.00 N ATOM 289 CA ARG A 568 -16.083 -2.573 -8.414 1.00 0.00 C ATOM 290 C ARG A 568 -14.869 -2.158 -7.583 1.00 0.00 C ATOM 291 O ARG A 568 -13.745 -2.575 -7.859 1.00 0.00 O ATOM 292 CB ARG A 568 -16.140 -1.835 -9.761 1.00 0.00 C ATOM 293 CG ARG A 568 -15.527 -0.446 -9.793 1.00 0.00 C ATOM 294 CD ARG A 568 -16.396 0.571 -9.085 1.00 0.00 C ATOM 295 NE ARG A 568 -15.991 1.940 -9.402 1.00 0.00 N ATOM 296 CZ ARG A 568 -15.282 2.719 -8.584 1.00 0.00 C ATOM 297 NH1 ARG A 568 -14.913 2.270 -7.394 1.00 0.00 N ATOM 298 NH2 ARG A 568 -14.951 3.947 -8.962 1.00 0.00 N ATOM 0 H ARG A 568 -17.812 -1.519 -7.863 1.00 0.00 H new ATOM 0 HA ARG A 568 -15.977 -3.635 -8.638 1.00 0.00 H new ATOM 0 HB2 ARG A 568 -15.637 -2.448 -10.509 1.00 0.00 H new ATOM 0 HB3 ARG A 568 -17.184 -1.755 -10.064 1.00 0.00 H new ATOM 0 HG2 ARG A 568 -14.543 -0.472 -9.324 1.00 0.00 H new ATOM 0 HG3 ARG A 568 -15.378 -0.139 -10.828 1.00 0.00 H new ATOM 0 HD2 ARG A 568 -17.437 0.423 -9.372 1.00 0.00 H new ATOM 0 HD3 ARG A 568 -16.337 0.414 -8.008 1.00 0.00 H new ATOM 0 HE ARG A 568 -16.268 2.323 -10.306 1.00 0.00 H new ATOM 0 HH11 ARG A 568 -15.171 1.327 -7.102 1.00 0.00 H new ATOM 0 HH12 ARG A 568 -14.371 2.867 -6.769 1.00 0.00 H new ATOM 0 HH21 ARG A 568 -15.239 4.294 -9.877 1.00 0.00 H new ATOM 0 HH22 ARG A 568 -14.409 4.544 -8.338 1.00 0.00 H new ATOM 312 N GLU A 569 -15.105 -1.341 -6.560 1.00 0.00 N ATOM 313 CA GLU A 569 -14.048 -0.946 -5.637 1.00 0.00 C ATOM 314 C GLU A 569 -13.568 -2.172 -4.876 1.00 0.00 C ATOM 315 O GLU A 569 -12.377 -2.478 -4.843 1.00 0.00 O ATOM 316 CB GLU A 569 -14.564 0.111 -4.647 1.00 0.00 C ATOM 317 CG GLU A 569 -13.470 0.892 -3.938 1.00 0.00 C ATOM 318 CD GLU A 569 -12.740 1.840 -4.869 1.00 0.00 C ATOM 319 OE1 GLU A 569 -13.364 2.823 -5.331 1.00 0.00 O ATOM 320 OE2 GLU A 569 -11.544 1.617 -5.134 1.00 0.00 O ATOM 0 H GLU A 569 -16.019 -0.940 -6.350 1.00 0.00 H new ATOM 0 HA GLU A 569 -13.223 -0.514 -6.203 1.00 0.00 H new ATOM 0 HB2 GLU A 569 -15.205 0.811 -5.183 1.00 0.00 H new ATOM 0 HB3 GLU A 569 -15.185 -0.382 -3.899 1.00 0.00 H new ATOM 0 HG2 GLU A 569 -13.907 1.459 -3.116 1.00 0.00 H new ATOM 0 HG3 GLU A 569 -12.755 0.195 -3.500 1.00 0.00 H new ATOM 327 N LEU A 570 -14.522 -2.905 -4.318 1.00 0.00 N ATOM 328 CA LEU A 570 -14.233 -4.066 -3.493 1.00 0.00 C ATOM 329 C LEU A 570 -13.737 -5.236 -4.352 1.00 0.00 C ATOM 330 O LEU A 570 -13.151 -6.182 -3.845 1.00 0.00 O ATOM 331 CB LEU A 570 -15.492 -4.453 -2.712 1.00 0.00 C ATOM 332 CG LEU A 570 -15.277 -4.916 -1.267 1.00 0.00 C ATOM 333 CD1 LEU A 570 -16.601 -4.950 -0.523 1.00 0.00 C ATOM 334 CD2 LEU A 570 -14.624 -6.286 -1.217 1.00 0.00 C ATOM 0 H LEU A 570 -15.517 -2.710 -4.426 1.00 0.00 H new ATOM 0 HA LEU A 570 -13.438 -3.819 -2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -16.165 -3.596 -2.700 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -16.000 -5.250 -3.255 1.00 0.00 H new ATOM 0 HG LEU A 570 -14.609 -4.202 -0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 570 -16.434 -5.281 0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -17.040 -3.952 -0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 570 -17.281 -5.642 -1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 570 -14.485 -6.585 -0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 570 -15.262 -7.012 -1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 570 -13.655 -6.246 -1.715 1.00 0.00 H new ATOM 346 N GLU A 571 -13.985 -5.170 -5.650 1.00 0.00 N ATOM 347 CA GLU A 571 -13.505 -6.201 -6.567 1.00 0.00 C ATOM 348 C GLU A 571 -12.018 -6.043 -6.856 1.00 0.00 C ATOM 349 O GLU A 571 -11.363 -6.977 -7.320 1.00 0.00 O ATOM 350 CB GLU A 571 -14.300 -6.175 -7.872 1.00 0.00 C ATOM 351 CG GLU A 571 -15.680 -6.798 -7.743 1.00 0.00 C ATOM 352 CD GLU A 571 -15.615 -8.268 -7.379 1.00 0.00 C ATOM 353 OE1 GLU A 571 -15.608 -8.591 -6.170 1.00 0.00 O ATOM 354 OE2 GLU A 571 -15.555 -9.106 -8.300 1.00 0.00 O ATOM 0 H GLU A 571 -14.513 -4.419 -6.095 1.00 0.00 H new ATOM 0 HA GLU A 571 -13.654 -7.166 -6.082 1.00 0.00 H new ATOM 0 HB2 GLU A 571 -14.404 -5.143 -8.206 1.00 0.00 H new ATOM 0 HB3 GLU A 571 -13.740 -6.705 -8.642 1.00 0.00 H new ATOM 0 HG2 GLU A 571 -16.249 -6.262 -6.983 1.00 0.00 H new ATOM 0 HG3 GLU A 571 -16.218 -6.682 -8.684 1.00 0.00 H new ATOM 361 N GLN A 572 -11.481 -4.865 -6.584 1.00 0.00 N ATOM 362 CA GLN A 572 -10.068 -4.605 -6.828 1.00 0.00 C ATOM 363 C GLN A 572 -9.306 -4.401 -5.528 1.00 0.00 C ATOM 364 O GLN A 572 -8.155 -4.811 -5.397 1.00 0.00 O ATOM 365 CB GLN A 572 -9.901 -3.362 -7.699 1.00 0.00 C ATOM 366 CG GLN A 572 -10.512 -3.486 -9.085 1.00 0.00 C ATOM 367 CD GLN A 572 -10.303 -2.243 -9.928 1.00 0.00 C ATOM 368 OE1 GLN A 572 -11.133 -1.901 -10.773 1.00 0.00 O ATOM 369 NE2 GLN A 572 -9.188 -1.565 -9.716 1.00 0.00 N ATOM 0 H GLN A 572 -11.998 -4.076 -6.196 1.00 0.00 H new ATOM 0 HA GLN A 572 -9.661 -5.477 -7.340 1.00 0.00 H new ATOM 0 HB2 GLN A 572 -10.354 -2.511 -7.189 1.00 0.00 H new ATOM 0 HB3 GLN A 572 -8.838 -3.144 -7.801 1.00 0.00 H new ATOM 0 HG2 GLN A 572 -10.075 -4.344 -9.595 1.00 0.00 H new ATOM 0 HG3 GLN A 572 -11.580 -3.681 -8.991 1.00 0.00 H new ATOM 0 HE21 GLN A 572 -8.526 -1.881 -9.007 1.00 0.00 H new ATOM 0 HE22 GLN A 572 -8.990 -0.726 -10.261 1.00 0.00 H new ATOM 378 N LEU A 573 -9.971 -3.766 -4.582 1.00 0.00 N ATOM 379 CA LEU A 573 -9.362 -3.309 -3.334 1.00 0.00 C ATOM 380 C LEU A 573 -8.566 -4.420 -2.607 1.00 0.00 C ATOM 381 O LEU A 573 -7.420 -4.192 -2.242 1.00 0.00 O ATOM 382 CB LEU A 573 -10.464 -2.735 -2.431 1.00 0.00 C ATOM 383 CG LEU A 573 -10.067 -1.551 -1.548 1.00 0.00 C ATOM 384 CD1 LEU A 573 -11.238 -1.110 -0.694 1.00 0.00 C ATOM 385 CD2 LEU A 573 -8.872 -1.878 -0.678 1.00 0.00 C ATOM 0 H LEU A 573 -10.965 -3.547 -4.654 1.00 0.00 H new ATOM 0 HA LEU A 573 -8.632 -2.536 -3.574 1.00 0.00 H new ATOM 0 HB2 LEU A 573 -11.298 -2.427 -3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 573 -10.830 -3.535 -1.787 1.00 0.00 H new ATOM 0 HG LEU A 573 -9.782 -0.731 -2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 573 -10.938 -0.267 -0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 573 -12.065 -0.810 -1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 573 -11.555 -1.936 -0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 573 -8.620 -1.012 -0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 573 -9.112 -2.722 -0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 573 -8.022 -2.135 -1.310 1.00 0.00 H new ATOM 397 N PRO A 574 -9.137 -5.630 -2.372 1.00 0.00 N ATOM 398 CA PRO A 574 -8.402 -6.725 -1.711 1.00 0.00 C ATOM 399 C PRO A 574 -7.086 -7.050 -2.414 1.00 0.00 C ATOM 400 O PRO A 574 -6.038 -7.176 -1.775 1.00 0.00 O ATOM 401 CB PRO A 574 -9.360 -7.914 -1.802 1.00 0.00 C ATOM 402 CG PRO A 574 -10.710 -7.304 -1.928 1.00 0.00 C ATOM 403 CD PRO A 574 -10.518 -6.027 -2.696 1.00 0.00 C ATOM 0 HA PRO A 574 -8.125 -6.463 -0.690 1.00 0.00 H new ATOM 0 HB2 PRO A 574 -9.129 -8.544 -2.661 1.00 0.00 H new ATOM 0 HB3 PRO A 574 -9.292 -8.546 -0.916 1.00 0.00 H new ATOM 0 HG2 PRO A 574 -11.394 -7.974 -2.450 1.00 0.00 H new ATOM 0 HG3 PRO A 574 -11.143 -7.108 -0.947 1.00 0.00 H new ATOM 0 HD2 PRO A 574 -10.650 -6.180 -3.767 1.00 0.00 H new ATOM 0 HD3 PRO A 574 -11.236 -5.265 -2.392 1.00 0.00 H new ATOM 411 N GLN A 575 -7.150 -7.164 -3.737 1.00 0.00 N ATOM 412 CA GLN A 575 -5.966 -7.416 -4.552 1.00 0.00 C ATOM 413 C GLN A 575 -4.998 -6.240 -4.466 1.00 0.00 C ATOM 414 O GLN A 575 -3.784 -6.404 -4.568 1.00 0.00 O ATOM 415 CB GLN A 575 -6.379 -7.662 -6.006 1.00 0.00 C ATOM 416 CG GLN A 575 -7.062 -9.005 -6.226 1.00 0.00 C ATOM 417 CD GLN A 575 -7.733 -9.107 -7.585 1.00 0.00 C ATOM 418 OE1 GLN A 575 -7.109 -9.494 -8.576 1.00 0.00 O ATOM 419 NE2 GLN A 575 -9.015 -8.779 -7.641 1.00 0.00 N ATOM 0 H GLN A 575 -8.016 -7.085 -4.271 1.00 0.00 H new ATOM 0 HA GLN A 575 -5.460 -8.304 -4.173 1.00 0.00 H new ATOM 0 HB2 GLN A 575 -7.052 -6.865 -6.324 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -5.495 -7.605 -6.641 1.00 0.00 H new ATOM 0 HG2 GLN A 575 -6.325 -9.803 -6.128 1.00 0.00 H new ATOM 0 HG3 GLN A 575 -7.806 -9.161 -5.445 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -9.498 -8.463 -6.800 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -9.520 -8.842 -8.525 1.00 0.00 H new ATOM 428 N LEU A 576 -5.552 -5.058 -4.263 1.00 0.00 N ATOM 429 CA LEU A 576 -4.762 -3.848 -4.105 1.00 0.00 C ATOM 430 C LEU A 576 -4.083 -3.812 -2.734 1.00 0.00 C ATOM 431 O LEU A 576 -2.995 -3.264 -2.590 1.00 0.00 O ATOM 432 CB LEU A 576 -5.658 -2.625 -4.289 1.00 0.00 C ATOM 433 CG LEU A 576 -5.018 -1.289 -3.929 1.00 0.00 C ATOM 434 CD1 LEU A 576 -4.015 -0.864 -4.993 1.00 0.00 C ATOM 435 CD2 LEU A 576 -6.083 -0.221 -3.725 1.00 0.00 C ATOM 0 H LEU A 576 -6.559 -4.909 -4.203 1.00 0.00 H new ATOM 0 HA LEU A 576 -3.980 -3.839 -4.864 1.00 0.00 H new ATOM 0 HB2 LEU A 576 -5.982 -2.586 -5.329 1.00 0.00 H new ATOM 0 HB3 LEU A 576 -6.553 -2.756 -3.681 1.00 0.00 H new ATOM 0 HG LEU A 576 -4.478 -1.411 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 576 -3.572 0.092 -4.714 1.00 0.00 H new ATOM 0 HD12 LEU A 576 -3.231 -1.617 -5.076 1.00 0.00 H new ATOM 0 HD13 LEU A 576 -4.523 -0.762 -5.952 1.00 0.00 H new ATOM 0 HD21 LEU A 576 -5.605 0.725 -3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 576 -6.658 -0.100 -4.643 1.00 0.00 H new ATOM 0 HD23 LEU A 576 -6.750 -0.522 -2.917 1.00 0.00 H new ATOM 447 N LEU A 577 -4.725 -4.398 -1.731 1.00 0.00 N ATOM 448 CA LEU A 577 -4.146 -4.464 -0.393 1.00 0.00 C ATOM 449 C LEU A 577 -2.873 -5.275 -0.395 1.00 0.00 C ATOM 450 O LEU A 577 -1.830 -4.795 0.029 1.00 0.00 O ATOM 451 CB LEU A 577 -5.135 -5.057 0.609 1.00 0.00 C ATOM 452 CG LEU A 577 -6.042 -4.056 1.326 1.00 0.00 C ATOM 453 CD1 LEU A 577 -5.873 -2.642 0.778 1.00 0.00 C ATOM 454 CD2 LEU A 577 -7.489 -4.501 1.229 1.00 0.00 C ATOM 0 H LEU A 577 -5.643 -4.833 -1.817 1.00 0.00 H new ATOM 0 HA LEU A 577 -3.913 -3.443 -0.089 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.764 -5.778 0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -4.573 -5.611 1.361 1.00 0.00 H new ATOM 0 HG LEU A 577 -5.748 -4.031 2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -6.535 -1.962 1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -4.840 -2.322 0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -6.124 -2.631 -0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -8.126 -3.781 1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -7.782 -4.561 0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -7.600 -5.481 1.694 1.00 0.00 H new ATOM 466 N GLU A 578 -2.953 -6.497 -0.882 1.00 0.00 N ATOM 467 CA GLU A 578 -1.764 -7.325 -0.990 1.00 0.00 C ATOM 468 C GLU A 578 -0.756 -6.685 -1.941 1.00 0.00 C ATOM 469 O GLU A 578 0.448 -6.884 -1.801 1.00 0.00 O ATOM 470 CB GLU A 578 -2.118 -8.739 -1.447 1.00 0.00 C ATOM 471 CG GLU A 578 -2.975 -8.786 -2.695 1.00 0.00 C ATOM 472 CD GLU A 578 -3.111 -10.185 -3.240 1.00 0.00 C ATOM 473 OE1 GLU A 578 -4.006 -10.927 -2.785 1.00 0.00 O ATOM 474 OE2 GLU A 578 -2.308 -10.563 -4.115 1.00 0.00 O ATOM 0 H GLU A 578 -3.815 -6.936 -1.206 1.00 0.00 H new ATOM 0 HA GLU A 578 -1.310 -7.399 -0.002 1.00 0.00 H new ATOM 0 HB2 GLU A 578 -1.197 -9.292 -1.630 1.00 0.00 H new ATOM 0 HB3 GLU A 578 -2.642 -9.251 -0.639 1.00 0.00 H new ATOM 0 HG2 GLU A 578 -3.964 -8.388 -2.469 1.00 0.00 H new ATOM 0 HG3 GLU A 578 -2.538 -8.141 -3.458 1.00 0.00 H new ATOM 481 N ASP A 579 -1.257 -5.894 -2.889 1.00 0.00 N ATOM 482 CA ASP A 579 -0.397 -5.156 -3.810 1.00 0.00 C ATOM 483 C ASP A 579 0.445 -4.159 -3.036 1.00 0.00 C ATOM 484 O ASP A 579 1.666 -4.178 -3.104 1.00 0.00 O ATOM 485 CB ASP A 579 -1.224 -4.377 -4.834 1.00 0.00 C ATOM 486 CG ASP A 579 -0.528 -4.231 -6.173 1.00 0.00 C ATOM 487 OD1 ASP A 579 -0.604 -5.166 -6.997 1.00 0.00 O ATOM 488 OD2 ASP A 579 0.089 -3.172 -6.414 1.00 0.00 O ATOM 0 H ASP A 579 -2.255 -5.748 -3.039 1.00 0.00 H new ATOM 0 HA ASP A 579 0.233 -5.880 -4.326 1.00 0.00 H new ATOM 0 HB2 ASP A 579 -2.179 -4.882 -4.981 1.00 0.00 H new ATOM 0 HB3 ASP A 579 -1.445 -3.387 -4.436 1.00 0.00 H new ATOM 493 N LEU A 580 -0.239 -3.299 -2.292 1.00 0.00 N ATOM 494 CA LEU A 580 0.403 -2.232 -1.537 1.00 0.00 C ATOM 495 C LEU A 580 1.220 -2.785 -0.383 1.00 0.00 C ATOM 496 O LEU A 580 2.260 -2.235 -0.031 1.00 0.00 O ATOM 497 CB LEU A 580 -0.652 -1.262 -1.010 1.00 0.00 C ATOM 498 CG LEU A 580 -1.519 -0.620 -2.087 1.00 0.00 C ATOM 499 CD1 LEU A 580 -2.612 0.225 -1.458 1.00 0.00 C ATOM 500 CD2 LEU A 580 -0.663 0.211 -3.029 1.00 0.00 C ATOM 0 H LEU A 580 -1.254 -3.322 -2.195 1.00 0.00 H new ATOM 0 HA LEU A 580 1.081 -1.704 -2.208 1.00 0.00 H new ATOM 0 HB2 LEU A 580 -1.298 -1.793 -0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 580 -0.153 -0.474 -0.447 1.00 0.00 H new ATOM 0 HG LEU A 580 -1.996 -1.410 -2.667 1.00 0.00 H new ATOM 0 HD11 LEU A 580 -3.221 0.675 -2.242 1.00 0.00 H new ATOM 0 HD12 LEU A 580 -3.240 -0.404 -0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 580 -2.161 1.011 -0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 580 -1.296 0.663 -3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 580 -0.158 0.995 -2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 580 0.080 -0.429 -3.506 1.00 0.00 H new ATOM 512 N GLU A 581 0.743 -3.869 0.204 1.00 0.00 N ATOM 513 CA GLU A 581 1.468 -4.543 1.268 1.00 0.00 C ATOM 514 C GLU A 581 2.802 -5.046 0.740 1.00 0.00 C ATOM 515 O GLU A 581 3.864 -4.727 1.277 1.00 0.00 O ATOM 516 CB GLU A 581 0.654 -5.718 1.800 1.00 0.00 C ATOM 517 CG GLU A 581 1.283 -6.390 3.007 1.00 0.00 C ATOM 518 CD GLU A 581 0.537 -7.637 3.433 1.00 0.00 C ATOM 519 OE1 GLU A 581 0.671 -8.677 2.753 1.00 0.00 O ATOM 520 OE2 GLU A 581 -0.191 -7.584 4.448 1.00 0.00 O ATOM 0 H GLU A 581 -0.147 -4.303 -0.039 1.00 0.00 H new ATOM 0 HA GLU A 581 1.640 -3.835 2.079 1.00 0.00 H new ATOM 0 HB2 GLU A 581 -0.343 -5.368 2.067 1.00 0.00 H new ATOM 0 HB3 GLU A 581 0.532 -6.455 1.006 1.00 0.00 H new ATOM 0 HG2 GLU A 581 2.316 -6.650 2.776 1.00 0.00 H new ATOM 0 HG3 GLU A 581 1.310 -5.685 3.838 1.00 0.00 H new ATOM 527 N ALA A 582 2.731 -5.810 -0.340 1.00 0.00 N ATOM 528 CA ALA A 582 3.921 -6.345 -0.983 1.00 0.00 C ATOM 529 C ALA A 582 4.736 -5.223 -1.614 1.00 0.00 C ATOM 530 O ALA A 582 5.923 -5.383 -1.893 1.00 0.00 O ATOM 531 CB ALA A 582 3.528 -7.376 -2.027 1.00 0.00 C ATOM 0 H ALA A 582 1.855 -6.074 -0.792 1.00 0.00 H new ATOM 0 HA ALA A 582 4.540 -6.831 -0.229 1.00 0.00 H new ATOM 0 HB1 ALA A 582 4.425 -7.771 -2.504 1.00 0.00 H new ATOM 0 HB2 ALA A 582 2.983 -8.189 -1.548 1.00 0.00 H new ATOM 0 HB3 ALA A 582 2.894 -6.908 -2.780 1.00 0.00 H new ATOM 537 N LYS A 583 4.093 -4.083 -1.833 1.00 0.00 N ATOM 538 CA LYS A 583 4.774 -2.918 -2.367 1.00 0.00 C ATOM 539 C LYS A 583 5.623 -2.301 -1.273 1.00 0.00 C ATOM 540 O LYS A 583 6.790 -1.976 -1.478 1.00 0.00 O ATOM 541 CB LYS A 583 3.770 -1.890 -2.904 1.00 0.00 C ATOM 542 CG LYS A 583 4.430 -0.640 -3.460 1.00 0.00 C ATOM 543 CD LYS A 583 3.417 0.364 -3.979 1.00 0.00 C ATOM 544 CE LYS A 583 4.106 1.628 -4.460 1.00 0.00 C ATOM 545 NZ LYS A 583 3.163 2.551 -5.141 1.00 0.00 N ATOM 0 H LYS A 583 3.100 -3.944 -1.648 1.00 0.00 H new ATOM 0 HA LYS A 583 5.408 -3.226 -3.198 1.00 0.00 H new ATOM 0 HB2 LYS A 583 3.169 -2.354 -3.686 1.00 0.00 H new ATOM 0 HB3 LYS A 583 3.087 -1.606 -2.103 1.00 0.00 H new ATOM 0 HG2 LYS A 583 5.034 -0.174 -2.682 1.00 0.00 H new ATOM 0 HG3 LYS A 583 5.109 -0.918 -4.266 1.00 0.00 H new ATOM 0 HD2 LYS A 583 2.847 -0.078 -4.796 1.00 0.00 H new ATOM 0 HD3 LYS A 583 2.706 0.610 -3.191 1.00 0.00 H new ATOM 0 HE2 LYS A 583 4.563 2.137 -3.611 1.00 0.00 H new ATOM 0 HE3 LYS A 583 4.912 1.363 -5.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 3.674 3.401 -5.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 2.746 2.075 -5.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 2.407 2.825 -4.481 1.00 0.00 H new ATOM 559 N LEU A 584 5.028 -2.182 -0.097 1.00 0.00 N ATOM 560 CA LEU A 584 5.713 -1.672 1.062 1.00 0.00 C ATOM 561 C LEU A 584 6.860 -2.611 1.422 1.00 0.00 C ATOM 562 O LEU A 584 7.985 -2.167 1.636 1.00 0.00 O ATOM 563 CB LEU A 584 4.697 -1.511 2.207 1.00 0.00 C ATOM 564 CG LEU A 584 5.243 -1.034 3.557 1.00 0.00 C ATOM 565 CD1 LEU A 584 5.855 -2.198 4.314 1.00 0.00 C ATOM 566 CD2 LEU A 584 6.255 0.086 3.365 1.00 0.00 C ATOM 0 H LEU A 584 4.056 -2.439 0.073 1.00 0.00 H new ATOM 0 HA LEU A 584 6.148 -0.692 0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 584 3.930 -0.807 1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 584 4.204 -2.471 2.361 1.00 0.00 H new ATOM 0 HG LEU A 584 4.417 -0.637 4.147 1.00 0.00 H new ATOM 0 HD11 LEU A 584 6.240 -1.847 5.272 1.00 0.00 H new ATOM 0 HD12 LEU A 584 5.095 -2.960 4.485 1.00 0.00 H new ATOM 0 HD13 LEU A 584 6.671 -2.624 3.729 1.00 0.00 H new ATOM 0 HD21 LEU A 584 6.629 0.409 4.337 1.00 0.00 H new ATOM 0 HD22 LEU A 584 7.085 -0.274 2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 584 5.776 0.927 2.863 1.00 0.00 H new ATOM 578 N GLU A 585 6.576 -3.912 1.453 1.00 0.00 N ATOM 579 CA GLU A 585 7.601 -4.919 1.721 1.00 0.00 C ATOM 580 C GLU A 585 8.757 -4.806 0.730 1.00 0.00 C ATOM 581 O GLU A 585 9.925 -4.888 1.110 1.00 0.00 O ATOM 582 CB GLU A 585 6.996 -6.323 1.652 1.00 0.00 C ATOM 583 CG GLU A 585 6.049 -6.636 2.798 1.00 0.00 C ATOM 584 CD GLU A 585 6.749 -6.640 4.141 1.00 0.00 C ATOM 585 OE1 GLU A 585 7.428 -7.640 4.462 1.00 0.00 O ATOM 586 OE2 GLU A 585 6.640 -5.643 4.879 1.00 0.00 O ATOM 0 H GLU A 585 5.643 -4.294 1.296 1.00 0.00 H new ATOM 0 HA GLU A 585 7.989 -4.742 2.724 1.00 0.00 H new ATOM 0 HB2 GLU A 585 6.460 -6.432 0.709 1.00 0.00 H new ATOM 0 HB3 GLU A 585 7.802 -7.057 1.647 1.00 0.00 H new ATOM 0 HG2 GLU A 585 5.245 -5.900 2.813 1.00 0.00 H new ATOM 0 HG3 GLU A 585 5.588 -7.609 2.629 1.00 0.00 H new ATOM 593 N ALA A 586 8.424 -4.587 -0.537 1.00 0.00 N ATOM 594 CA ALA A 586 9.426 -4.509 -1.592 1.00 0.00 C ATOM 595 C ALA A 586 10.304 -3.276 -1.432 1.00 0.00 C ATOM 596 O ALA A 586 11.480 -3.287 -1.794 1.00 0.00 O ATOM 597 CB ALA A 586 8.752 -4.489 -2.951 1.00 0.00 C ATOM 0 H ALA A 586 7.464 -4.460 -0.859 1.00 0.00 H new ATOM 0 HA ALA A 586 10.062 -5.391 -1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 586 9.510 -4.431 -3.732 1.00 0.00 H new ATOM 0 HB2 ALA A 586 8.167 -5.400 -3.080 1.00 0.00 H new ATOM 0 HB3 ALA A 586 8.094 -3.622 -3.018 1.00 0.00 H new ATOM 603 N LEU A 587 9.728 -2.214 -0.897 1.00 0.00 N ATOM 604 CA LEU A 587 10.452 -0.969 -0.700 1.00 0.00 C ATOM 605 C LEU A 587 11.210 -0.993 0.623 1.00 0.00 C ATOM 606 O LEU A 587 12.350 -0.544 0.706 1.00 0.00 O ATOM 607 CB LEU A 587 9.480 0.208 -0.745 1.00 0.00 C ATOM 608 CG LEU A 587 8.734 0.370 -2.071 1.00 0.00 C ATOM 609 CD1 LEU A 587 7.565 1.321 -1.912 1.00 0.00 C ATOM 610 CD2 LEU A 587 9.677 0.872 -3.153 1.00 0.00 C ATOM 0 H LEU A 587 8.756 -2.189 -0.590 1.00 0.00 H new ATOM 0 HA LEU A 587 11.180 -0.853 -1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 587 8.749 0.089 0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 587 10.032 1.125 -0.540 1.00 0.00 H new ATOM 0 HG LEU A 587 8.349 -0.605 -2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 587 7.047 1.423 -2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 587 6.875 0.928 -1.165 1.00 0.00 H new ATOM 0 HD13 LEU A 587 7.931 2.296 -1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 587 9.130 0.982 -4.090 1.00 0.00 H new ATOM 0 HD22 LEU A 587 10.089 1.837 -2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 587 10.489 0.157 -3.288 1.00 0.00 H new ATOM 622 N GLN A 588 10.578 -1.551 1.647 1.00 0.00 N ATOM 623 CA GLN A 588 11.171 -1.629 2.975 1.00 0.00 C ATOM 624 C GLN A 588 12.363 -2.566 2.990 1.00 0.00 C ATOM 625 O GLN A 588 13.303 -2.355 3.741 1.00 0.00 O ATOM 626 CB GLN A 588 10.140 -2.093 4.003 1.00 0.00 C ATOM 627 CG GLN A 588 9.362 -0.961 4.659 1.00 0.00 C ATOM 628 CD GLN A 588 10.217 -0.144 5.613 1.00 0.00 C ATOM 629 OE1 GLN A 588 11.181 -0.647 6.188 1.00 0.00 O ATOM 630 NE2 GLN A 588 9.854 1.113 5.817 1.00 0.00 N ATOM 0 H GLN A 588 9.646 -1.960 1.581 1.00 0.00 H new ATOM 0 HA GLN A 588 11.512 -0.628 3.239 1.00 0.00 H new ATOM 0 HB2 GLN A 588 9.436 -2.768 3.516 1.00 0.00 H new ATOM 0 HB3 GLN A 588 10.648 -2.667 4.778 1.00 0.00 H new ATOM 0 HG2 GLN A 588 8.958 -0.306 3.886 1.00 0.00 H new ATOM 0 HG3 GLN A 588 8.512 -1.375 5.202 1.00 0.00 H new ATOM 0 HE21 GLN A 588 9.049 1.498 5.323 1.00 0.00 H new ATOM 0 HE22 GLN A 588 10.379 1.696 6.468 1.00 0.00 H new ATOM 639 N THR A 589 12.332 -3.591 2.152 1.00 0.00 N ATOM 640 CA THR A 589 13.416 -4.561 2.117 1.00 0.00 C ATOM 641 C THR A 589 14.664 -3.953 1.467 1.00 0.00 C ATOM 642 O THR A 589 15.787 -4.362 1.762 1.00 0.00 O ATOM 643 CB THR A 589 12.990 -5.859 1.388 1.00 0.00 C ATOM 644 OG1 THR A 589 13.904 -6.921 1.685 1.00 0.00 O ATOM 645 CG2 THR A 589 12.932 -5.654 -0.119 1.00 0.00 C ATOM 0 H THR A 589 11.575 -3.772 1.492 1.00 0.00 H new ATOM 0 HA THR A 589 13.659 -4.827 3.146 1.00 0.00 H new ATOM 0 HB THR A 589 11.994 -6.123 1.743 1.00 0.00 H new ATOM 0 HG1 THR A 589 13.622 -7.736 1.219 1.00 0.00 H new ATOM 0 HG21 THR A 589 12.630 -6.584 -0.601 1.00 0.00 H new ATOM 0 HG22 THR A 589 12.209 -4.873 -0.352 1.00 0.00 H new ATOM 0 HG23 THR A 589 13.916 -5.359 -0.484 1.00 0.00 H new ATOM 653 N GLN A 590 14.465 -2.960 0.600 1.00 0.00 N ATOM 654 CA GLN A 590 15.580 -2.193 0.055 1.00 0.00 C ATOM 655 C GLN A 590 16.228 -1.410 1.178 1.00 0.00 C ATOM 656 O GLN A 590 17.444 -1.401 1.342 1.00 0.00 O ATOM 657 CB GLN A 590 15.093 -1.198 -1.002 1.00 0.00 C ATOM 658 CG GLN A 590 14.364 -1.824 -2.171 1.00 0.00 C ATOM 659 CD GLN A 590 15.254 -2.737 -2.991 1.00 0.00 C ATOM 660 OE1 GLN A 590 15.327 -3.940 -2.744 1.00 0.00 O ATOM 661 NE2 GLN A 590 15.950 -2.166 -3.963 1.00 0.00 N ATOM 0 H GLN A 590 13.547 -2.671 0.263 1.00 0.00 H new ATOM 0 HA GLN A 590 16.286 -2.885 -0.403 1.00 0.00 H new ATOM 0 HB2 GLN A 590 14.432 -0.475 -0.524 1.00 0.00 H new ATOM 0 HB3 GLN A 590 15.951 -0.643 -1.381 1.00 0.00 H new ATOM 0 HG2 GLN A 590 13.510 -2.392 -1.800 1.00 0.00 H new ATOM 0 HG3 GLN A 590 13.969 -1.036 -2.812 1.00 0.00 H new ATOM 0 HE21 GLN A 590 15.860 -1.165 -4.134 1.00 0.00 H new ATOM 0 HE22 GLN A 590 16.576 -2.728 -4.540 1.00 0.00 H new ATOM 670 N VAL A 591 15.368 -0.781 1.958 1.00 0.00 N ATOM 671 CA VAL A 591 15.764 0.094 3.047 1.00 0.00 C ATOM 672 C VAL A 591 16.237 -0.725 4.250 1.00 0.00 C ATOM 673 O VAL A 591 16.922 -0.220 5.144 1.00 0.00 O ATOM 674 CB VAL A 591 14.561 0.983 3.428 1.00 0.00 C ATOM 675 CG1 VAL A 591 14.936 2.054 4.433 1.00 0.00 C ATOM 676 CG2 VAL A 591 13.967 1.609 2.173 1.00 0.00 C ATOM 0 H VAL A 591 14.357 -0.865 1.851 1.00 0.00 H new ATOM 0 HA VAL A 591 16.596 0.723 2.730 1.00 0.00 H new ATOM 0 HB VAL A 591 13.815 0.348 3.906 1.00 0.00 H new ATOM 0 HG11 VAL A 591 14.057 2.654 4.670 1.00 0.00 H new ATOM 0 HG12 VAL A 591 15.311 1.584 5.342 1.00 0.00 H new ATOM 0 HG13 VAL A 591 15.710 2.695 4.010 1.00 0.00 H new ATOM 0 HG21 VAL A 591 13.118 2.236 2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 591 14.723 2.218 1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 591 13.634 0.822 1.496 1.00 0.00 H new ATOM 686 N ALA A 592 15.866 -2.000 4.255 1.00 0.00 N ATOM 687 CA ALA A 592 16.307 -2.934 5.277 1.00 0.00 C ATOM 688 C ALA A 592 17.773 -3.282 5.064 1.00 0.00 C ATOM 689 O ALA A 592 18.480 -3.668 5.994 1.00 0.00 O ATOM 690 CB ALA A 592 15.454 -4.194 5.252 1.00 0.00 C ATOM 0 H ALA A 592 15.253 -2.412 3.552 1.00 0.00 H new ATOM 0 HA ALA A 592 16.194 -2.464 6.254 1.00 0.00 H new ATOM 0 HB1 ALA A 592 15.799 -4.882 6.024 1.00 0.00 H new ATOM 0 HB2 ALA A 592 14.412 -3.932 5.438 1.00 0.00 H new ATOM 0 HB3 ALA A 592 15.539 -4.672 4.276 1.00 0.00 H new ATOM 696 N ASP A 593 18.210 -3.134 3.822 1.00 0.00 N ATOM 697 CA ASP A 593 19.587 -3.397 3.440 1.00 0.00 C ATOM 698 C ASP A 593 20.469 -2.212 3.807 1.00 0.00 C ATOM 699 O ASP A 593 20.165 -1.069 3.471 1.00 0.00 O ATOM 700 CB ASP A 593 19.659 -3.679 1.935 1.00 0.00 C ATOM 701 CG ASP A 593 21.071 -3.914 1.442 1.00 0.00 C ATOM 702 OD1 ASP A 593 21.588 -5.038 1.609 1.00 0.00 O ATOM 703 OD2 ASP A 593 21.662 -2.979 0.866 1.00 0.00 O ATOM 0 H ASP A 593 17.618 -2.828 3.050 1.00 0.00 H new ATOM 0 HA ASP A 593 19.950 -4.272 3.979 1.00 0.00 H new ATOM 0 HB2 ASP A 593 19.050 -4.554 1.706 1.00 0.00 H new ATOM 0 HB3 ASP A 593 19.226 -2.838 1.393 1.00 0.00 H new ATOM 708 N ALA A 594 21.559 -2.497 4.508 1.00 0.00 N ATOM 709 CA ALA A 594 22.436 -1.458 5.032 1.00 0.00 C ATOM 710 C ALA A 594 23.136 -0.698 3.915 1.00 0.00 C ATOM 711 O ALA A 594 23.501 0.467 4.080 1.00 0.00 O ATOM 712 CB ALA A 594 23.463 -2.064 5.975 1.00 0.00 C ATOM 0 H ALA A 594 21.858 -3.447 4.728 1.00 0.00 H new ATOM 0 HA ALA A 594 21.817 -0.748 5.581 1.00 0.00 H new ATOM 0 HB1 ALA A 594 24.112 -1.278 6.360 1.00 0.00 H new ATOM 0 HB2 ALA A 594 22.952 -2.551 6.805 1.00 0.00 H new ATOM 0 HB3 ALA A 594 24.062 -2.798 5.437 1.00 0.00 H new ATOM 718 N SER A 595 23.306 -1.349 2.774 1.00 0.00 N ATOM 719 CA SER A 595 24.010 -0.753 1.652 1.00 0.00 C ATOM 720 C SER A 595 23.091 0.192 0.873 1.00 0.00 C ATOM 721 O SER A 595 23.539 0.905 -0.027 1.00 0.00 O ATOM 722 CB SER A 595 24.552 -1.857 0.741 1.00 0.00 C ATOM 723 OG SER A 595 25.237 -2.848 1.498 1.00 0.00 O ATOM 0 H SER A 595 22.964 -2.294 2.602 1.00 0.00 H new ATOM 0 HA SER A 595 24.846 -0.165 2.031 1.00 0.00 H new ATOM 0 HB2 SER A 595 23.731 -2.317 0.191 1.00 0.00 H new ATOM 0 HB3 SER A 595 25.228 -1.426 0.003 1.00 0.00 H new ATOM 0 HG SER A 595 25.574 -3.545 0.896 1.00 0.00 H new ATOM 729 N PHE A 596 21.808 0.197 1.239 1.00 0.00 N ATOM 730 CA PHE A 596 20.819 1.069 0.604 1.00 0.00 C ATOM 731 C PHE A 596 21.220 2.537 0.697 1.00 0.00 C ATOM 732 O PHE A 596 21.328 3.223 -0.315 1.00 0.00 O ATOM 733 CB PHE A 596 19.443 0.862 1.247 1.00 0.00 C ATOM 734 CG PHE A 596 18.393 1.835 0.791 1.00 0.00 C ATOM 735 CD1 PHE A 596 17.839 1.742 -0.474 1.00 0.00 C ATOM 736 CD2 PHE A 596 17.956 2.842 1.638 1.00 0.00 C ATOM 737 CE1 PHE A 596 16.871 2.635 -0.886 1.00 0.00 C ATOM 738 CE2 PHE A 596 16.990 3.736 1.230 1.00 0.00 C ATOM 739 CZ PHE A 596 16.447 3.633 -0.032 1.00 0.00 C ATOM 0 H PHE A 596 21.428 -0.397 1.976 1.00 0.00 H new ATOM 0 HA PHE A 596 20.772 0.801 -0.452 1.00 0.00 H new ATOM 0 HB2 PHE A 596 19.102 -0.150 1.029 1.00 0.00 H new ATOM 0 HB3 PHE A 596 19.546 0.938 2.329 1.00 0.00 H new ATOM 0 HD1 PHE A 596 18.168 0.963 -1.145 1.00 0.00 H new ATOM 0 HD2 PHE A 596 18.377 2.927 2.629 1.00 0.00 H new ATOM 0 HE1 PHE A 596 16.446 2.553 -1.875 1.00 0.00 H new ATOM 0 HE2 PHE A 596 16.659 4.517 1.899 1.00 0.00 H new ATOM 0 HZ PHE A 596 15.690 4.333 -0.353 1.00 0.00 H new ATOM 749 N PHE A 597 21.471 3.005 1.912 1.00 0.00 N ATOM 750 CA PHE A 597 21.750 4.420 2.148 1.00 0.00 C ATOM 751 C PHE A 597 23.109 4.830 1.582 1.00 0.00 C ATOM 752 O PHE A 597 23.457 6.011 1.572 1.00 0.00 O ATOM 753 CB PHE A 597 21.694 4.732 3.642 1.00 0.00 C ATOM 754 CG PHE A 597 20.334 4.535 4.250 1.00 0.00 C ATOM 755 CD1 PHE A 597 19.366 5.521 4.140 1.00 0.00 C ATOM 756 CD2 PHE A 597 20.024 3.367 4.926 1.00 0.00 C ATOM 757 CE1 PHE A 597 18.113 5.344 4.693 1.00 0.00 C ATOM 758 CE2 PHE A 597 18.773 3.185 5.484 1.00 0.00 C ATOM 759 CZ PHE A 597 17.817 4.175 5.366 1.00 0.00 C ATOM 0 H PHE A 597 21.488 2.427 2.752 1.00 0.00 H new ATOM 0 HA PHE A 597 20.982 4.995 1.630 1.00 0.00 H new ATOM 0 HB2 PHE A 597 22.411 4.098 4.164 1.00 0.00 H new ATOM 0 HB3 PHE A 597 22.007 5.764 3.801 1.00 0.00 H new ATOM 0 HD1 PHE A 597 19.594 6.438 3.616 1.00 0.00 H new ATOM 0 HD2 PHE A 597 20.768 2.590 5.018 1.00 0.00 H new ATOM 0 HE1 PHE A 597 17.366 6.118 4.599 1.00 0.00 H new ATOM 0 HE2 PHE A 597 18.543 2.271 6.011 1.00 0.00 H new ATOM 0 HZ PHE A 597 16.838 4.035 5.800 1.00 0.00 H new ATOM 769 N SER A 598 23.871 3.852 1.110 1.00 0.00 N ATOM 770 CA SER A 598 25.157 4.125 0.489 1.00 0.00 C ATOM 771 C SER A 598 24.965 4.525 -0.972 1.00 0.00 C ATOM 772 O SER A 598 25.905 4.951 -1.648 1.00 0.00 O ATOM 773 CB SER A 598 26.055 2.895 0.603 1.00 0.00 C ATOM 774 OG SER A 598 26.219 2.527 1.964 1.00 0.00 O ATOM 0 H SER A 598 23.620 2.864 1.146 1.00 0.00 H new ATOM 0 HA SER A 598 25.637 4.956 1.006 1.00 0.00 H new ATOM 0 HB2 SER A 598 25.619 2.066 0.045 1.00 0.00 H new ATOM 0 HB3 SER A 598 27.027 3.104 0.156 1.00 0.00 H new ATOM 0 HG SER A 598 26.795 1.736 2.022 1.00 0.00 H new ATOM 780 N GLN A 599 23.736 4.393 -1.448 1.00 0.00 N ATOM 781 CA GLN A 599 23.376 4.799 -2.790 1.00 0.00 C ATOM 782 C GLN A 599 23.097 6.296 -2.822 1.00 0.00 C ATOM 783 O GLN A 599 23.023 6.932 -1.770 1.00 0.00 O ATOM 784 CB GLN A 599 22.157 4.000 -3.255 1.00 0.00 C ATOM 785 CG GLN A 599 22.479 2.552 -3.574 1.00 0.00 C ATOM 786 CD GLN A 599 23.488 2.422 -4.694 1.00 0.00 C ATOM 787 OE1 GLN A 599 24.695 2.386 -4.461 1.00 0.00 O ATOM 788 NE2 GLN A 599 23.000 2.353 -5.917 1.00 0.00 N ATOM 0 H GLN A 599 22.963 4.001 -0.911 1.00 0.00 H new ATOM 0 HA GLN A 599 24.203 4.595 -3.471 1.00 0.00 H new ATOM 0 HB2 GLN A 599 21.391 4.033 -2.480 1.00 0.00 H new ATOM 0 HB3 GLN A 599 21.735 4.475 -4.140 1.00 0.00 H new ATOM 0 HG2 GLN A 599 22.866 2.063 -2.680 1.00 0.00 H new ATOM 0 HG3 GLN A 599 21.563 2.031 -3.851 1.00 0.00 H new ATOM 0 HE21 GLN A 599 21.992 2.386 -6.066 1.00 0.00 H new ATOM 0 HE22 GLN A 599 23.631 2.266 -6.714 1.00 0.00 H new ATOM 797 N PRO A 600 22.953 6.892 -4.020 1.00 0.00 N ATOM 798 CA PRO A 600 22.731 8.334 -4.161 1.00 0.00 C ATOM 799 C PRO A 600 21.388 8.770 -3.585 1.00 0.00 C ATOM 800 O PRO A 600 20.399 8.034 -3.631 1.00 0.00 O ATOM 801 CB PRO A 600 22.774 8.556 -5.681 1.00 0.00 C ATOM 802 CG PRO A 600 23.453 7.345 -6.218 1.00 0.00 C ATOM 803 CD PRO A 600 22.996 6.232 -5.334 1.00 0.00 C ATOM 0 HA PRO A 600 23.472 8.919 -3.616 1.00 0.00 H new ATOM 0 HB2 PRO A 600 21.771 8.664 -6.094 1.00 0.00 H new ATOM 0 HB3 PRO A 600 23.323 9.463 -5.934 1.00 0.00 H new ATOM 0 HG2 PRO A 600 23.177 7.164 -7.257 1.00 0.00 H new ATOM 0 HG3 PRO A 600 24.537 7.454 -6.190 1.00 0.00 H new ATOM 0 HD2 PRO A 600 22.020 5.848 -5.631 1.00 0.00 H new ATOM 0 HD3 PRO A 600 23.687 5.389 -5.346 1.00 0.00 H new ATOM 811 N HIS A 601 21.388 9.988 -3.052 1.00 0.00 N ATOM 812 CA HIS A 601 20.242 10.577 -2.354 1.00 0.00 C ATOM 813 C HIS A 601 19.000 10.578 -3.220 1.00 0.00 C ATOM 814 O HIS A 601 17.896 10.420 -2.723 1.00 0.00 O ATOM 815 CB HIS A 601 20.600 12.012 -1.952 1.00 0.00 C ATOM 816 CG HIS A 601 19.569 12.750 -1.152 1.00 0.00 C ATOM 817 ND1 HIS A 601 19.553 12.761 0.225 1.00 0.00 N ATOM 818 CD2 HIS A 601 18.556 13.555 -1.545 1.00 0.00 C ATOM 819 CE1 HIS A 601 18.576 13.543 0.646 1.00 0.00 C ATOM 820 NE2 HIS A 601 17.955 14.037 -0.409 1.00 0.00 N ATOM 0 H HIS A 601 22.197 10.607 -3.092 1.00 0.00 H new ATOM 0 HA HIS A 601 20.023 9.976 -1.471 1.00 0.00 H new ATOM 0 HB2 HIS A 601 21.526 11.986 -1.378 1.00 0.00 H new ATOM 0 HB3 HIS A 601 20.803 12.582 -2.859 1.00 0.00 H new ATOM 0 HD2 HIS A 601 18.273 13.777 -2.563 1.00 0.00 H new ATOM 0 HE1 HIS A 601 18.327 13.744 1.678 1.00 0.00 H new ATOM 0 HE2 HIS A 601 17.158 14.673 -0.384 1.00 0.00 H new ATOM 829 N GLU A 602 19.184 10.751 -4.515 1.00 0.00 N ATOM 830 CA GLU A 602 18.062 10.815 -5.430 1.00 0.00 C ATOM 831 C GLU A 602 17.414 9.443 -5.608 1.00 0.00 C ATOM 832 O GLU A 602 16.213 9.353 -5.862 1.00 0.00 O ATOM 833 CB GLU A 602 18.520 11.383 -6.772 1.00 0.00 C ATOM 834 CG GLU A 602 19.185 12.745 -6.645 1.00 0.00 C ATOM 835 CD GLU A 602 19.639 13.304 -7.975 1.00 0.00 C ATOM 836 OE1 GLU A 602 20.552 12.713 -8.589 1.00 0.00 O ATOM 837 OE2 GLU A 602 19.091 14.339 -8.406 1.00 0.00 O ATOM 0 H GLU A 602 20.098 10.850 -4.956 1.00 0.00 H new ATOM 0 HA GLU A 602 17.307 11.478 -5.007 1.00 0.00 H new ATOM 0 HB2 GLU A 602 19.218 10.686 -7.236 1.00 0.00 H new ATOM 0 HB3 GLU A 602 17.661 11.465 -7.438 1.00 0.00 H new ATOM 0 HG2 GLU A 602 18.487 13.443 -6.182 1.00 0.00 H new ATOM 0 HG3 GLU A 602 20.044 12.664 -5.978 1.00 0.00 H new ATOM 844 N GLN A 603 18.198 8.373 -5.455 1.00 0.00 N ATOM 845 CA GLN A 603 17.654 7.028 -5.596 1.00 0.00 C ATOM 846 C GLN A 603 17.054 6.585 -4.261 1.00 0.00 C ATOM 847 O GLN A 603 15.972 5.998 -4.216 1.00 0.00 O ATOM 848 CB GLN A 603 18.731 6.029 -6.086 1.00 0.00 C ATOM 849 CG GLN A 603 19.474 5.258 -4.997 1.00 0.00 C ATOM 850 CD GLN A 603 18.734 4.009 -4.539 1.00 0.00 C ATOM 851 OE1 GLN A 603 18.827 3.604 -3.381 1.00 0.00 O ATOM 852 NE2 GLN A 603 18.016 3.374 -5.450 1.00 0.00 N ATOM 0 H GLN A 603 19.194 8.413 -5.237 1.00 0.00 H new ATOM 0 HA GLN A 603 16.870 7.042 -6.353 1.00 0.00 H new ATOM 0 HB2 GLN A 603 18.255 5.310 -6.752 1.00 0.00 H new ATOM 0 HB3 GLN A 603 19.463 6.577 -6.679 1.00 0.00 H new ATOM 0 HG2 GLN A 603 20.459 4.974 -5.369 1.00 0.00 H new ATOM 0 HG3 GLN A 603 19.633 5.913 -4.141 1.00 0.00 H new ATOM 0 HE21 GLN A 603 17.961 3.738 -6.401 1.00 0.00 H new ATOM 0 HE22 GLN A 603 17.517 2.520 -5.202 1.00 0.00 H new ATOM 861 N THR A 604 17.753 6.894 -3.170 1.00 0.00 N ATOM 862 CA THR A 604 17.315 6.485 -1.845 1.00 0.00 C ATOM 863 C THR A 604 16.037 7.202 -1.451 1.00 0.00 C ATOM 864 O THR A 604 15.078 6.578 -1.007 1.00 0.00 O ATOM 865 CB THR A 604 18.388 6.748 -0.773 1.00 0.00 C ATOM 866 OG1 THR A 604 18.890 8.084 -0.900 1.00 0.00 O ATOM 867 CG2 THR A 604 19.529 5.752 -0.882 1.00 0.00 C ATOM 0 H THR A 604 18.623 7.426 -3.182 1.00 0.00 H new ATOM 0 HA THR A 604 17.134 5.411 -1.897 1.00 0.00 H new ATOM 0 HB THR A 604 17.925 6.627 0.207 1.00 0.00 H new ATOM 0 HG1 THR A 604 19.822 8.113 -0.599 1.00 0.00 H new ATOM 0 HG21 THR A 604 20.271 5.963 -0.112 1.00 0.00 H new ATOM 0 HG22 THR A 604 19.144 4.741 -0.747 1.00 0.00 H new ATOM 0 HG23 THR A 604 19.992 5.836 -1.865 1.00 0.00 H new ATOM 875 N GLN A 605 16.034 8.517 -1.630 1.00 0.00 N ATOM 876 CA GLN A 605 14.873 9.338 -1.321 1.00 0.00 C ATOM 877 C GLN A 605 13.658 8.892 -2.122 1.00 0.00 C ATOM 878 O GLN A 605 12.538 8.922 -1.624 1.00 0.00 O ATOM 879 CB GLN A 605 15.194 10.805 -1.589 1.00 0.00 C ATOM 880 CG GLN A 605 16.048 11.442 -0.505 1.00 0.00 C ATOM 881 CD GLN A 605 15.314 11.574 0.814 1.00 0.00 C ATOM 882 OE1 GLN A 605 14.660 12.581 1.068 1.00 0.00 O ATOM 883 NE2 GLN A 605 15.422 10.565 1.666 1.00 0.00 N ATOM 0 H GLN A 605 16.831 9.041 -1.991 1.00 0.00 H new ATOM 0 HA GLN A 605 14.630 9.217 -0.265 1.00 0.00 H new ATOM 0 HB2 GLN A 605 15.711 10.888 -2.545 1.00 0.00 H new ATOM 0 HB3 GLN A 605 14.262 11.362 -1.682 1.00 0.00 H new ATOM 0 HG2 GLN A 605 16.947 10.844 -0.358 1.00 0.00 H new ATOM 0 HG3 GLN A 605 16.372 12.429 -0.836 1.00 0.00 H new ATOM 0 HE21 GLN A 605 15.975 9.745 1.418 1.00 0.00 H new ATOM 0 HE22 GLN A 605 14.952 10.608 2.570 1.00 0.00 H new ATOM 892 N LYS A 606 13.895 8.460 -3.356 1.00 0.00 N ATOM 893 CA LYS A 606 12.851 7.887 -4.189 1.00 0.00 C ATOM 894 C LYS A 606 12.208 6.710 -3.473 1.00 0.00 C ATOM 895 O LYS A 606 10.989 6.663 -3.303 1.00 0.00 O ATOM 896 CB LYS A 606 13.451 7.444 -5.531 1.00 0.00 C ATOM 897 CG LYS A 606 12.453 6.847 -6.511 1.00 0.00 C ATOM 898 CD LYS A 606 12.280 5.351 -6.296 1.00 0.00 C ATOM 899 CE LYS A 606 11.522 4.694 -7.439 1.00 0.00 C ATOM 900 NZ LYS A 606 10.083 5.072 -7.472 1.00 0.00 N ATOM 0 H LYS A 606 14.811 8.498 -3.802 1.00 0.00 H new ATOM 0 HA LYS A 606 12.082 8.636 -4.379 1.00 0.00 H new ATOM 0 HB2 LYS A 606 13.930 8.304 -6.000 1.00 0.00 H new ATOM 0 HB3 LYS A 606 14.233 6.710 -5.338 1.00 0.00 H new ATOM 0 HG2 LYS A 606 11.490 7.345 -6.398 1.00 0.00 H new ATOM 0 HG3 LYS A 606 12.790 7.032 -7.531 1.00 0.00 H new ATOM 0 HD2 LYS A 606 13.260 4.884 -6.195 1.00 0.00 H new ATOM 0 HD3 LYS A 606 11.747 5.179 -5.361 1.00 0.00 H new ATOM 0 HE2 LYS A 606 11.987 4.972 -8.384 1.00 0.00 H new ATOM 0 HE3 LYS A 606 11.606 3.611 -7.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 9.617 4.595 -8.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 9.628 4.783 -6.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 9.997 6.102 -7.586 1.00 0.00 H new ATOM 914 N VAL A 607 13.042 5.781 -3.035 1.00 0.00 N ATOM 915 CA VAL A 607 12.564 4.575 -2.372 1.00 0.00 C ATOM 916 C VAL A 607 11.955 4.906 -1.012 1.00 0.00 C ATOM 917 O VAL A 607 10.872 4.433 -0.675 1.00 0.00 O ATOM 918 CB VAL A 607 13.699 3.547 -2.186 1.00 0.00 C ATOM 919 CG1 VAL A 607 13.178 2.292 -1.503 1.00 0.00 C ATOM 920 CG2 VAL A 607 14.337 3.199 -3.522 1.00 0.00 C ATOM 0 H VAL A 607 14.056 5.838 -3.126 1.00 0.00 H new ATOM 0 HA VAL A 607 11.798 4.139 -3.013 1.00 0.00 H new ATOM 0 HB VAL A 607 14.462 3.996 -1.549 1.00 0.00 H new ATOM 0 HG11 VAL A 607 13.993 1.579 -1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 607 12.773 2.551 -0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 607 12.393 1.845 -2.113 1.00 0.00 H new ATOM 0 HG21 VAL A 607 15.135 2.473 -3.366 1.00 0.00 H new ATOM 0 HG22 VAL A 607 13.584 2.774 -4.185 1.00 0.00 H new ATOM 0 HG23 VAL A 607 14.751 4.101 -3.974 1.00 0.00 H new ATOM 930 N LEU A 608 12.657 5.730 -0.245 1.00 0.00 N ATOM 931 CA LEU A 608 12.211 6.125 1.083 1.00 0.00 C ATOM 932 C LEU A 608 10.848 6.808 1.029 1.00 0.00 C ATOM 933 O LEU A 608 9.931 6.445 1.770 1.00 0.00 O ATOM 934 CB LEU A 608 13.242 7.056 1.726 1.00 0.00 C ATOM 935 CG LEU A 608 14.584 6.401 2.060 1.00 0.00 C ATOM 936 CD1 LEU A 608 15.566 7.431 2.584 1.00 0.00 C ATOM 937 CD2 LEU A 608 14.395 5.293 3.081 1.00 0.00 C ATOM 0 H LEU A 608 13.547 6.141 -0.525 1.00 0.00 H new ATOM 0 HA LEU A 608 12.112 5.224 1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 608 13.421 7.895 1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 608 12.817 7.467 2.642 1.00 0.00 H new ATOM 0 HG LEU A 608 14.989 5.969 1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 608 16.514 6.945 2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 608 15.727 8.198 1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 608 15.164 7.891 3.487 1.00 0.00 H new ATOM 0 HD21 LEU A 608 15.359 4.838 3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 608 13.967 5.708 3.993 1.00 0.00 H new ATOM 0 HD23 LEU A 608 13.723 4.536 2.677 1.00 0.00 H new ATOM 949 N ALA A 609 10.718 7.774 0.132 1.00 0.00 N ATOM 950 CA ALA A 609 9.487 8.537 -0.008 1.00 0.00 C ATOM 951 C ALA A 609 8.361 7.671 -0.564 1.00 0.00 C ATOM 952 O ALA A 609 7.214 7.768 -0.121 1.00 0.00 O ATOM 953 CB ALA A 609 9.728 9.747 -0.901 1.00 0.00 C ATOM 0 H ALA A 609 11.457 8.050 -0.515 1.00 0.00 H new ATOM 0 HA ALA A 609 9.179 8.881 0.980 1.00 0.00 H new ATOM 0 HB1 ALA A 609 8.803 10.314 -1.002 1.00 0.00 H new ATOM 0 HB2 ALA A 609 10.495 10.380 -0.456 1.00 0.00 H new ATOM 0 HB3 ALA A 609 10.058 9.413 -1.885 1.00 0.00 H new ATOM 959 N ASP A 610 8.695 6.808 -1.517 1.00 0.00 N ATOM 960 CA ASP A 610 7.701 5.943 -2.145 1.00 0.00 C ATOM 961 C ASP A 610 7.215 4.895 -1.154 1.00 0.00 C ATOM 962 O ASP A 610 6.035 4.543 -1.133 1.00 0.00 O ATOM 963 CB ASP A 610 8.292 5.267 -3.382 1.00 0.00 C ATOM 964 CG ASP A 610 7.234 4.677 -4.294 1.00 0.00 C ATOM 965 OD1 ASP A 610 6.618 5.444 -5.064 1.00 0.00 O ATOM 966 OD2 ASP A 610 7.035 3.448 -4.271 1.00 0.00 O ATOM 0 H ASP A 610 9.644 6.688 -1.872 1.00 0.00 H new ATOM 0 HA ASP A 610 6.852 6.553 -2.454 1.00 0.00 H new ATOM 0 HB2 ASP A 610 8.881 5.994 -3.940 1.00 0.00 H new ATOM 0 HB3 ASP A 610 8.975 4.478 -3.067 1.00 0.00 H new ATOM 971 N MET A 611 8.134 4.409 -0.322 1.00 0.00 N ATOM 972 CA MET A 611 7.796 3.459 0.730 1.00 0.00 C ATOM 973 C MET A 611 6.759 4.034 1.677 1.00 0.00 C ATOM 974 O MET A 611 5.788 3.364 2.031 1.00 0.00 O ATOM 975 CB MET A 611 9.039 3.055 1.524 1.00 0.00 C ATOM 976 CG MET A 611 8.716 2.594 2.935 1.00 0.00 C ATOM 977 SD MET A 611 9.247 3.775 4.184 1.00 0.00 S ATOM 978 CE MET A 611 11.023 3.749 3.946 1.00 0.00 C ATOM 0 H MET A 611 9.122 4.660 -0.358 1.00 0.00 H new ATOM 0 HA MET A 611 7.380 2.576 0.245 1.00 0.00 H new ATOM 0 HB2 MET A 611 9.557 2.255 0.996 1.00 0.00 H new ATOM 0 HB3 MET A 611 9.724 3.901 1.572 1.00 0.00 H new ATOM 0 HG2 MET A 611 7.642 2.434 3.024 1.00 0.00 H new ATOM 0 HG3 MET A 611 9.198 1.634 3.119 1.00 0.00 H new ATOM 0 HE1 MET A 611 11.499 3.280 4.807 1.00 0.00 H new ATOM 0 HE2 MET A 611 11.261 3.181 3.046 1.00 0.00 H new ATOM 0 HE3 MET A 611 11.391 4.770 3.839 1.00 0.00 H new ATOM 988 N ALA A 612 6.967 5.274 2.086 1.00 0.00 N ATOM 989 CA ALA A 612 6.080 5.899 3.042 1.00 0.00 C ATOM 990 C ALA A 612 4.689 6.063 2.441 1.00 0.00 C ATOM 991 O ALA A 612 3.678 5.883 3.118 1.00 0.00 O ATOM 992 CB ALA A 612 6.639 7.239 3.493 1.00 0.00 C ATOM 0 H ALA A 612 7.739 5.862 1.771 1.00 0.00 H new ATOM 0 HA ALA A 612 6.001 5.256 3.918 1.00 0.00 H new ATOM 0 HB1 ALA A 612 5.958 7.694 4.212 1.00 0.00 H new ATOM 0 HB2 ALA A 612 7.612 7.089 3.960 1.00 0.00 H new ATOM 0 HB3 ALA A 612 6.748 7.896 2.631 1.00 0.00 H new ATOM 998 N ALA A 613 4.644 6.384 1.154 1.00 0.00 N ATOM 999 CA ALA A 613 3.381 6.488 0.441 1.00 0.00 C ATOM 1000 C ALA A 613 2.711 5.124 0.346 1.00 0.00 C ATOM 1001 O ALA A 613 1.486 5.017 0.403 1.00 0.00 O ATOM 1002 CB ALA A 613 3.600 7.067 -0.949 1.00 0.00 C ATOM 0 H ALA A 613 5.468 6.576 0.585 1.00 0.00 H new ATOM 0 HA ALA A 613 2.726 7.159 0.996 1.00 0.00 H new ATOM 0 HB1 ALA A 613 2.644 7.138 -1.468 1.00 0.00 H new ATOM 0 HB2 ALA A 613 4.041 8.060 -0.864 1.00 0.00 H new ATOM 0 HB3 ALA A 613 4.272 6.418 -1.512 1.00 0.00 H new ATOM 1008 N ALA A 614 3.529 4.087 0.207 1.00 0.00 N ATOM 1009 CA ALA A 614 3.045 2.718 0.094 1.00 0.00 C ATOM 1010 C ALA A 614 2.320 2.266 1.357 1.00 0.00 C ATOM 1011 O ALA A 614 1.180 1.806 1.290 1.00 0.00 O ATOM 1012 CB ALA A 614 4.199 1.777 -0.214 1.00 0.00 C ATOM 0 H ALA A 614 4.545 4.172 0.170 1.00 0.00 H new ATOM 0 HA ALA A 614 2.327 2.689 -0.726 1.00 0.00 H new ATOM 0 HB1 ALA A 614 3.824 0.757 -0.296 1.00 0.00 H new ATOM 0 HB2 ALA A 614 4.665 2.069 -1.155 1.00 0.00 H new ATOM 0 HB3 ALA A 614 4.935 1.830 0.588 1.00 0.00 H new ATOM 1018 N GLU A 615 2.981 2.402 2.503 1.00 0.00 N ATOM 1019 CA GLU A 615 2.404 1.973 3.776 1.00 0.00 C ATOM 1020 C GLU A 615 1.145 2.769 4.104 1.00 0.00 C ATOM 1021 O GLU A 615 0.157 2.216 4.591 1.00 0.00 O ATOM 1022 CB GLU A 615 3.425 2.108 4.913 1.00 0.00 C ATOM 1023 CG GLU A 615 4.055 3.485 5.016 1.00 0.00 C ATOM 1024 CD GLU A 615 4.908 3.647 6.254 1.00 0.00 C ATOM 1025 OE1 GLU A 615 6.046 3.135 6.270 1.00 0.00 O ATOM 1026 OE2 GLU A 615 4.447 4.299 7.214 1.00 0.00 O ATOM 0 H GLU A 615 3.915 2.805 2.578 1.00 0.00 H new ATOM 0 HA GLU A 615 2.131 0.922 3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 615 2.935 1.872 5.858 1.00 0.00 H new ATOM 0 HB3 GLU A 615 4.213 1.369 4.770 1.00 0.00 H new ATOM 0 HG2 GLU A 615 4.667 3.667 4.132 1.00 0.00 H new ATOM 0 HG3 GLU A 615 3.269 4.240 5.020 1.00 0.00 H new ATOM 1033 N GLN A 616 1.177 4.064 3.817 1.00 0.00 N ATOM 1034 CA GLN A 616 0.033 4.927 4.080 1.00 0.00 C ATOM 1035 C GLN A 616 -1.129 4.596 3.145 1.00 0.00 C ATOM 1036 O GLN A 616 -2.292 4.635 3.549 1.00 0.00 O ATOM 1037 CB GLN A 616 0.433 6.399 3.951 1.00 0.00 C ATOM 1038 CG GLN A 616 1.418 6.850 5.021 1.00 0.00 C ATOM 1039 CD GLN A 616 0.843 6.765 6.421 1.00 0.00 C ATOM 1040 OE1 GLN A 616 1.561 6.502 7.387 1.00 0.00 O ATOM 1041 NE2 GLN A 616 -0.453 7.006 6.546 1.00 0.00 N ATOM 0 H GLN A 616 1.980 4.538 3.404 1.00 0.00 H new ATOM 0 HA GLN A 616 -0.300 4.749 5.102 1.00 0.00 H new ATOM 0 HB2 GLN A 616 0.874 6.564 2.968 1.00 0.00 H new ATOM 0 HB3 GLN A 616 -0.462 7.018 4.007 1.00 0.00 H new ATOM 0 HG2 GLN A 616 2.316 6.235 4.964 1.00 0.00 H new ATOM 0 HG3 GLN A 616 1.722 7.877 4.819 1.00 0.00 H new ATOM 0 HE21 GLN A 616 -1.014 7.220 5.721 1.00 0.00 H new ATOM 0 HE22 GLN A 616 -0.891 6.977 7.467 1.00 0.00 H new ATOM 1050 N GLU A 617 -0.809 4.249 1.903 1.00 0.00 N ATOM 1051 CA GLU A 617 -1.826 3.862 0.935 1.00 0.00 C ATOM 1052 C GLU A 617 -2.438 2.534 1.341 1.00 0.00 C ATOM 1053 O GLU A 617 -3.656 2.362 1.296 1.00 0.00 O ATOM 1054 CB GLU A 617 -1.228 3.740 -0.466 1.00 0.00 C ATOM 1055 CG GLU A 617 -2.272 3.605 -1.560 1.00 0.00 C ATOM 1056 CD GLU A 617 -3.096 4.865 -1.722 1.00 0.00 C ATOM 1057 OE1 GLU A 617 -2.496 5.951 -1.887 1.00 0.00 O ATOM 1058 OE2 GLU A 617 -4.340 4.780 -1.702 1.00 0.00 O ATOM 0 H GLU A 617 0.146 4.228 1.544 1.00 0.00 H new ATOM 0 HA GLU A 617 -2.595 4.634 0.918 1.00 0.00 H new ATOM 0 HB2 GLU A 617 -0.613 4.617 -0.668 1.00 0.00 H new ATOM 0 HB3 GLU A 617 -0.567 2.874 -0.496 1.00 0.00 H new ATOM 0 HG2 GLU A 617 -1.779 3.371 -2.504 1.00 0.00 H new ATOM 0 HG3 GLU A 617 -2.932 2.769 -1.329 1.00 0.00 H new ATOM 1065 N LEU A 618 -1.576 1.605 1.740 1.00 0.00 N ATOM 1066 CA LEU A 618 -2.007 0.299 2.219 1.00 0.00 C ATOM 1067 C LEU A 618 -3.073 0.454 3.272 1.00 0.00 C ATOM 1068 O LEU A 618 -4.195 -0.031 3.120 1.00 0.00 O ATOM 1069 CB LEU A 618 -0.810 -0.462 2.827 1.00 0.00 C ATOM 1070 CG LEU A 618 -1.086 -1.865 3.417 1.00 0.00 C ATOM 1071 CD1 LEU A 618 -1.869 -1.826 4.717 1.00 0.00 C ATOM 1072 CD2 LEU A 618 -1.758 -2.757 2.385 1.00 0.00 C ATOM 0 H LEU A 618 -0.564 1.736 1.740 1.00 0.00 H new ATOM 0 HA LEU A 618 -2.409 -0.261 1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 618 -0.048 -0.565 2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 618 -0.382 0.157 3.616 1.00 0.00 H new ATOM 0 HG LEU A 618 -0.117 -2.295 3.670 1.00 0.00 H new ATOM 0 HD11 LEU A 618 -2.028 -2.843 5.077 1.00 0.00 H new ATOM 0 HD12 LEU A 618 -1.309 -1.261 5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 618 -2.833 -1.346 4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 618 -1.944 -3.739 2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 618 -2.704 -2.311 2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 618 -1.108 -2.861 1.516 1.00 0.00 H new ATOM 1084 N GLU A 619 -2.710 1.135 4.343 1.00 0.00 N ATOM 1085 CA GLU A 619 -3.515 1.102 5.534 1.00 0.00 C ATOM 1086 C GLU A 619 -4.877 1.757 5.306 1.00 0.00 C ATOM 1087 O GLU A 619 -5.899 1.250 5.767 1.00 0.00 O ATOM 1088 CB GLU A 619 -2.796 1.769 6.706 1.00 0.00 C ATOM 1089 CG GLU A 619 -2.309 3.178 6.414 1.00 0.00 C ATOM 1090 CD GLU A 619 -1.790 3.882 7.651 1.00 0.00 C ATOM 1091 OE1 GLU A 619 -0.695 3.523 8.133 1.00 0.00 O ATOM 1092 OE2 GLU A 619 -2.486 4.789 8.159 1.00 0.00 O ATOM 0 H GLU A 619 -1.870 1.710 4.406 1.00 0.00 H new ATOM 0 HA GLU A 619 -3.679 0.054 5.783 1.00 0.00 H new ATOM 0 HB2 GLU A 619 -3.470 1.799 7.562 1.00 0.00 H new ATOM 0 HB3 GLU A 619 -1.943 1.154 6.993 1.00 0.00 H new ATOM 0 HG2 GLU A 619 -1.518 3.137 5.665 1.00 0.00 H new ATOM 0 HG3 GLU A 619 -3.125 3.759 5.985 1.00 0.00 H new ATOM 1099 N GLN A 620 -4.892 2.878 4.578 1.00 0.00 N ATOM 1100 CA GLN A 620 -6.143 3.573 4.299 1.00 0.00 C ATOM 1101 C GLN A 620 -7.022 2.731 3.389 1.00 0.00 C ATOM 1102 O GLN A 620 -8.246 2.712 3.534 1.00 0.00 O ATOM 1103 CB GLN A 620 -5.908 4.945 3.661 1.00 0.00 C ATOM 1104 CG GLN A 620 -5.258 4.895 2.287 1.00 0.00 C ATOM 1105 CD GLN A 620 -5.246 6.244 1.602 1.00 0.00 C ATOM 1106 OE1 GLN A 620 -6.192 6.608 0.899 1.00 0.00 O ATOM 1107 NE2 GLN A 620 -4.177 6.994 1.800 1.00 0.00 N ATOM 0 H GLN A 620 -4.062 3.315 4.178 1.00 0.00 H new ATOM 0 HA GLN A 620 -6.645 3.729 5.254 1.00 0.00 H new ATOM 0 HB2 GLN A 620 -6.864 5.463 3.579 1.00 0.00 H new ATOM 0 HB3 GLN A 620 -5.280 5.539 4.325 1.00 0.00 H new ATOM 0 HG2 GLN A 620 -4.235 4.532 2.386 1.00 0.00 H new ATOM 0 HG3 GLN A 620 -5.791 4.179 1.662 1.00 0.00 H new ATOM 0 HE21 GLN A 620 -3.417 6.654 2.389 1.00 0.00 H new ATOM 0 HE22 GLN A 620 -4.111 7.914 1.364 1.00 0.00 H new ATOM 1116 N ALA A 621 -6.396 2.020 2.462 1.00 0.00 N ATOM 1117 CA ALA A 621 -7.127 1.160 1.560 1.00 0.00 C ATOM 1118 C ALA A 621 -7.720 -0.011 2.334 1.00 0.00 C ATOM 1119 O ALA A 621 -8.849 -0.426 2.091 1.00 0.00 O ATOM 1120 CB ALA A 621 -6.221 0.669 0.445 1.00 0.00 C ATOM 0 H ALA A 621 -5.386 2.026 2.320 1.00 0.00 H new ATOM 0 HA ALA A 621 -7.940 1.726 1.106 1.00 0.00 H new ATOM 0 HB1 ALA A 621 -6.787 0.022 -0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 621 -5.836 1.522 -0.113 1.00 0.00 H new ATOM 0 HB3 ALA A 621 -5.389 0.109 0.872 1.00 0.00 H new ATOM 1126 N PHE A 622 -6.944 -0.517 3.285 1.00 0.00 N ATOM 1127 CA PHE A 622 -7.393 -1.578 4.173 1.00 0.00 C ATOM 1128 C PHE A 622 -8.608 -1.130 4.973 1.00 0.00 C ATOM 1129 O PHE A 622 -9.611 -1.842 5.061 1.00 0.00 O ATOM 1130 CB PHE A 622 -6.276 -1.968 5.137 1.00 0.00 C ATOM 1131 CG PHE A 622 -5.761 -3.364 4.935 1.00 0.00 C ATOM 1132 CD1 PHE A 622 -6.569 -4.457 5.213 1.00 0.00 C ATOM 1133 CD2 PHE A 622 -4.473 -3.589 4.462 1.00 0.00 C ATOM 1134 CE1 PHE A 622 -6.107 -5.745 5.024 1.00 0.00 C ATOM 1135 CE2 PHE A 622 -4.008 -4.878 4.274 1.00 0.00 C ATOM 1136 CZ PHE A 622 -4.826 -5.955 4.554 1.00 0.00 C ATOM 0 H PHE A 622 -5.989 -0.204 3.461 1.00 0.00 H new ATOM 0 HA PHE A 622 -7.664 -2.438 3.561 1.00 0.00 H new ATOM 0 HB2 PHE A 622 -5.450 -1.266 5.024 1.00 0.00 H new ATOM 0 HB3 PHE A 622 -6.640 -1.870 6.160 1.00 0.00 H new ATOM 0 HD1 PHE A 622 -7.572 -4.299 5.582 1.00 0.00 H new ATOM 0 HD2 PHE A 622 -3.830 -2.750 4.240 1.00 0.00 H new ATOM 0 HE1 PHE A 622 -6.747 -6.587 5.244 1.00 0.00 H new ATOM 0 HE2 PHE A 622 -3.005 -5.042 3.908 1.00 0.00 H new ATOM 0 HZ PHE A 622 -4.464 -6.961 4.405 1.00 0.00 H new ATOM 1146 N GLU A 623 -8.506 0.057 5.554 1.00 0.00 N ATOM 1147 CA GLU A 623 -9.592 0.630 6.336 1.00 0.00 C ATOM 1148 C GLU A 623 -10.829 0.852 5.472 1.00 0.00 C ATOM 1149 O GLU A 623 -11.960 0.699 5.938 1.00 0.00 O ATOM 1150 CB GLU A 623 -9.137 1.935 6.984 1.00 0.00 C ATOM 1151 CG GLU A 623 -8.136 1.731 8.111 1.00 0.00 C ATOM 1152 CD GLU A 623 -7.696 3.032 8.751 1.00 0.00 C ATOM 1153 OE1 GLU A 623 -8.555 3.738 9.322 1.00 0.00 O ATOM 1154 OE2 GLU A 623 -6.492 3.357 8.686 1.00 0.00 O ATOM 0 H GLU A 623 -7.675 0.646 5.498 1.00 0.00 H new ATOM 0 HA GLU A 623 -9.862 -0.074 7.123 1.00 0.00 H new ATOM 0 HB2 GLU A 623 -8.691 2.574 6.222 1.00 0.00 H new ATOM 0 HB3 GLU A 623 -10.008 2.463 7.372 1.00 0.00 H new ATOM 0 HG2 GLU A 623 -8.579 1.089 8.872 1.00 0.00 H new ATOM 0 HG3 GLU A 623 -7.261 1.209 7.723 1.00 0.00 H new ATOM 1161 N ARG A 624 -10.604 1.204 4.211 1.00 0.00 N ATOM 1162 CA ARG A 624 -11.688 1.331 3.245 1.00 0.00 C ATOM 1163 C ARG A 624 -12.320 -0.030 2.997 1.00 0.00 C ATOM 1164 O ARG A 624 -13.539 -0.165 2.994 1.00 0.00 O ATOM 1165 CB ARG A 624 -11.173 1.889 1.916 1.00 0.00 C ATOM 1166 CG ARG A 624 -12.269 2.176 0.902 1.00 0.00 C ATOM 1167 CD ARG A 624 -12.981 3.480 1.214 1.00 0.00 C ATOM 1168 NE ARG A 624 -12.081 4.630 1.086 1.00 0.00 N ATOM 1169 CZ ARG A 624 -12.309 5.828 1.625 1.00 0.00 C ATOM 1170 NH1 ARG A 624 -13.383 6.034 2.380 1.00 0.00 N ATOM 1171 NH2 ARG A 624 -11.449 6.814 1.421 1.00 0.00 N ATOM 0 H ARG A 624 -9.678 1.407 3.834 1.00 0.00 H new ATOM 0 HA ARG A 624 -12.428 2.018 3.655 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -10.620 2.809 2.109 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -10.468 1.179 1.484 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -11.838 2.224 -0.098 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -12.989 1.358 0.900 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -13.828 3.603 0.539 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -13.383 3.443 2.227 1.00 0.00 H new ATOM 0 HE ARG A 624 -11.223 4.505 0.549 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -14.040 5.273 2.551 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -13.550 6.953 2.789 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -10.616 6.655 0.854 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -11.619 7.732 1.831 1.00 0.00 H new ATOM 1185 N TRP A 625 -11.470 -1.032 2.800 1.00 0.00 N ATOM 1186 CA TRP A 625 -11.918 -2.379 2.484 1.00 0.00 C ATOM 1187 C TRP A 625 -12.828 -2.941 3.567 1.00 0.00 C ATOM 1188 O TRP A 625 -13.937 -3.399 3.280 1.00 0.00 O ATOM 1189 CB TRP A 625 -10.723 -3.311 2.283 1.00 0.00 C ATOM 1190 CG TRP A 625 -11.149 -4.723 2.038 1.00 0.00 C ATOM 1191 CD1 TRP A 625 -11.782 -5.203 0.929 1.00 0.00 C ATOM 1192 CD2 TRP A 625 -10.996 -5.832 2.926 1.00 0.00 C ATOM 1193 NE1 TRP A 625 -12.045 -6.541 1.080 1.00 0.00 N ATOM 1194 CE2 TRP A 625 -11.566 -6.951 2.295 1.00 0.00 C ATOM 1195 CE3 TRP A 625 -10.432 -5.988 4.194 1.00 0.00 C ATOM 1196 CZ2 TRP A 625 -11.592 -8.208 2.891 1.00 0.00 C ATOM 1197 CZ3 TRP A 625 -10.456 -7.236 4.783 1.00 0.00 C ATOM 1198 CH2 TRP A 625 -11.030 -8.332 4.132 1.00 0.00 C ATOM 0 H TRP A 625 -10.456 -0.932 2.855 1.00 0.00 H new ATOM 0 HA TRP A 625 -12.489 -2.318 1.558 1.00 0.00 H new ATOM 0 HB2 TRP A 625 -10.128 -2.960 1.440 1.00 0.00 H new ATOM 0 HB3 TRP A 625 -10.082 -3.273 3.164 1.00 0.00 H new ATOM 0 HD1 TRP A 625 -12.038 -4.616 0.060 1.00 0.00 H new ATOM 0 HE1 TRP A 625 -12.520 -7.133 0.399 1.00 0.00 H new ATOM 0 HE3 TRP A 625 -9.985 -5.148 4.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 625 -12.040 -9.055 2.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 625 -10.024 -7.368 5.764 1.00 0.00 H new ATOM 0 HH2 TRP A 625 -11.030 -9.296 4.619 1.00 0.00 H new ATOM 1209 N GLU A 626 -12.362 -2.910 4.808 1.00 0.00 N ATOM 1210 CA GLU A 626 -13.140 -3.447 5.914 1.00 0.00 C ATOM 1211 C GLU A 626 -14.433 -2.662 6.088 1.00 0.00 C ATOM 1212 O GLU A 626 -15.447 -3.211 6.510 1.00 0.00 O ATOM 1213 CB GLU A 626 -12.328 -3.443 7.208 1.00 0.00 C ATOM 1214 CG GLU A 626 -11.050 -4.262 7.117 1.00 0.00 C ATOM 1215 CD GLU A 626 -10.435 -4.530 8.471 1.00 0.00 C ATOM 1216 OE1 GLU A 626 -9.744 -3.638 9.003 1.00 0.00 O ATOM 1217 OE2 GLU A 626 -10.638 -5.635 9.009 1.00 0.00 O ATOM 0 H GLU A 626 -11.456 -2.522 5.072 1.00 0.00 H new ATOM 0 HA GLU A 626 -13.393 -4.481 5.680 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -12.075 -2.415 7.467 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -12.945 -3.833 8.017 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -11.265 -5.211 6.625 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -10.329 -3.735 6.492 1.00 0.00 H new ATOM 1224 N TYR A 627 -14.394 -1.380 5.743 1.00 0.00 N ATOM 1225 CA TYR A 627 -15.594 -0.555 5.730 1.00 0.00 C ATOM 1226 C TYR A 627 -16.551 -1.023 4.636 1.00 0.00 C ATOM 1227 O TYR A 627 -17.754 -1.099 4.856 1.00 0.00 O ATOM 1228 CB TYR A 627 -15.229 0.925 5.536 1.00 0.00 C ATOM 1229 CG TYR A 627 -16.302 1.758 4.860 1.00 0.00 C ATOM 1230 CD1 TYR A 627 -17.541 1.990 5.457 1.00 0.00 C ATOM 1231 CD2 TYR A 627 -16.070 2.308 3.607 1.00 0.00 C ATOM 1232 CE1 TYR A 627 -18.508 2.744 4.817 1.00 0.00 C ATOM 1233 CE2 TYR A 627 -17.032 3.061 2.966 1.00 0.00 C ATOM 1234 CZ TYR A 627 -18.249 3.276 3.573 1.00 0.00 C ATOM 1235 OH TYR A 627 -19.213 4.020 2.931 1.00 0.00 O ATOM 0 H TYR A 627 -13.543 -0.890 5.468 1.00 0.00 H new ATOM 0 HA TYR A 627 -16.096 -0.659 6.692 1.00 0.00 H new ATOM 0 HB2 TYR A 627 -15.009 1.362 6.510 1.00 0.00 H new ATOM 0 HB3 TYR A 627 -14.315 0.986 4.945 1.00 0.00 H new ATOM 0 HD1 TYR A 627 -17.748 1.575 6.432 1.00 0.00 H new ATOM 0 HD2 TYR A 627 -15.118 2.143 3.124 1.00 0.00 H new ATOM 0 HE1 TYR A 627 -19.463 2.915 5.291 1.00 0.00 H new ATOM 0 HE2 TYR A 627 -16.831 3.480 1.991 1.00 0.00 H new ATOM 0 HH TYR A 627 -18.870 4.322 2.064 1.00 0.00 H new ATOM 1245 N LEU A 628 -16.013 -1.353 3.469 1.00 0.00 N ATOM 1246 CA LEU A 628 -16.841 -1.785 2.348 1.00 0.00 C ATOM 1247 C LEU A 628 -17.529 -3.109 2.668 1.00 0.00 C ATOM 1248 O LEU A 628 -18.719 -3.278 2.398 1.00 0.00 O ATOM 1249 CB LEU A 628 -16.010 -1.915 1.065 1.00 0.00 C ATOM 1250 CG LEU A 628 -15.271 -0.645 0.625 1.00 0.00 C ATOM 1251 CD1 LEU A 628 -14.671 -0.824 -0.761 1.00 0.00 C ATOM 1252 CD2 LEU A 628 -16.196 0.560 0.652 1.00 0.00 C ATOM 0 H LEU A 628 -15.012 -1.330 3.273 1.00 0.00 H new ATOM 0 HA LEU A 628 -17.604 -1.024 2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -15.278 -2.710 1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -16.670 -2.229 0.256 1.00 0.00 H new ATOM 0 HG LEU A 628 -14.460 -0.467 1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -14.152 0.089 -1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -13.965 -1.655 -0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -15.465 -1.034 -1.477 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -15.647 1.447 0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -17.034 0.391 -0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -16.572 0.708 1.664 1.00 0.00 H new ATOM 1264 N GLU A 629 -16.780 -4.043 3.247 1.00 0.00 N ATOM 1265 CA GLU A 629 -17.352 -5.310 3.693 1.00 0.00 C ATOM 1266 C GLU A 629 -18.392 -5.079 4.785 1.00 0.00 C ATOM 1267 O GLU A 629 -19.486 -5.646 4.746 1.00 0.00 O ATOM 1268 CB GLU A 629 -16.260 -6.254 4.207 1.00 0.00 C ATOM 1269 CG GLU A 629 -15.592 -7.081 3.118 1.00 0.00 C ATOM 1270 CD GLU A 629 -16.585 -7.936 2.351 1.00 0.00 C ATOM 1271 OE1 GLU A 629 -17.203 -8.831 2.964 1.00 0.00 O ATOM 1272 OE2 GLU A 629 -16.758 -7.718 1.134 1.00 0.00 O ATOM 0 H GLU A 629 -15.779 -3.947 3.418 1.00 0.00 H new ATOM 0 HA GLU A 629 -17.838 -5.774 2.835 1.00 0.00 H new ATOM 0 HB2 GLU A 629 -15.499 -5.667 4.721 1.00 0.00 H new ATOM 0 HB3 GLU A 629 -16.695 -6.928 4.945 1.00 0.00 H new ATOM 0 HG2 GLU A 629 -15.077 -6.416 2.425 1.00 0.00 H new ATOM 0 HG3 GLU A 629 -14.834 -7.723 3.566 1.00 0.00 H new ATOM 1279 N ALA A 630 -18.045 -4.234 5.748 1.00 0.00 N ATOM 1280 CA ALA A 630 -18.947 -3.907 6.847 1.00 0.00 C ATOM 1281 C ALA A 630 -20.214 -3.237 6.332 1.00 0.00 C ATOM 1282 O ALA A 630 -21.310 -3.528 6.799 1.00 0.00 O ATOM 1283 CB ALA A 630 -18.253 -3.010 7.860 1.00 0.00 C ATOM 0 H ALA A 630 -17.142 -3.761 5.791 1.00 0.00 H new ATOM 0 HA ALA A 630 -19.228 -4.838 7.339 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -18.942 -2.777 8.672 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -17.379 -3.523 8.261 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -17.940 -2.086 7.374 1.00 0.00 H new ATOM 1289 N LEU A 631 -20.055 -2.346 5.361 1.00 0.00 N ATOM 1290 CA LEU A 631 -21.183 -1.635 4.773 1.00 0.00 C ATOM 1291 C LEU A 631 -22.088 -2.604 4.034 1.00 0.00 C ATOM 1292 O LEU A 631 -23.311 -2.542 4.138 1.00 0.00 O ATOM 1293 CB LEU A 631 -20.695 -0.569 3.795 1.00 0.00 C ATOM 1294 CG LEU A 631 -21.706 0.532 3.498 1.00 0.00 C ATOM 1295 CD1 LEU A 631 -21.903 1.398 4.725 1.00 0.00 C ATOM 1296 CD2 LEU A 631 -21.256 1.367 2.317 1.00 0.00 C ATOM 0 H LEU A 631 -19.150 -2.098 4.962 1.00 0.00 H new ATOM 0 HA LEU A 631 -21.738 -1.157 5.581 1.00 0.00 H new ATOM 0 HB2 LEU A 631 -19.790 -0.114 4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 631 -20.420 -1.053 2.858 1.00 0.00 H new ATOM 0 HG LEU A 631 -22.660 0.072 3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 631 -22.627 2.182 4.504 1.00 0.00 H new ATOM 0 HD12 LEU A 631 -22.271 0.785 5.548 1.00 0.00 H new ATOM 0 HD13 LEU A 631 -20.952 1.851 5.007 1.00 0.00 H new ATOM 0 HD21 LEU A 631 -21.992 2.147 2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 631 -20.292 1.825 2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 631 -21.160 0.731 1.437 1.00 0.00 H new ATOM 1308 N LYS A 632 -21.463 -3.498 3.283 1.00 0.00 N ATOM 1309 CA LYS A 632 -22.182 -4.487 2.506 1.00 0.00 C ATOM 1310 C LYS A 632 -23.010 -5.393 3.415 1.00 0.00 C ATOM 1311 O LYS A 632 -24.196 -5.627 3.172 1.00 0.00 O ATOM 1312 CB LYS A 632 -21.189 -5.337 1.708 1.00 0.00 C ATOM 1313 CG LYS A 632 -21.828 -6.483 0.938 1.00 0.00 C ATOM 1314 CD LYS A 632 -20.788 -7.506 0.502 1.00 0.00 C ATOM 1315 CE LYS A 632 -19.772 -6.911 -0.457 1.00 0.00 C ATOM 1316 NZ LYS A 632 -18.664 -7.860 -0.750 1.00 0.00 N ATOM 0 H LYS A 632 -20.448 -3.556 3.197 1.00 0.00 H new ATOM 0 HA LYS A 632 -22.855 -3.967 1.824 1.00 0.00 H new ATOM 0 HB2 LYS A 632 -20.659 -4.693 1.006 1.00 0.00 H new ATOM 0 HB3 LYS A 632 -20.444 -5.744 2.392 1.00 0.00 H new ATOM 0 HG2 LYS A 632 -22.579 -6.968 1.561 1.00 0.00 H new ATOM 0 HG3 LYS A 632 -22.345 -6.091 0.062 1.00 0.00 H new ATOM 0 HD2 LYS A 632 -20.273 -7.896 1.380 1.00 0.00 H new ATOM 0 HD3 LYS A 632 -21.287 -8.349 0.024 1.00 0.00 H new ATOM 0 HE2 LYS A 632 -20.269 -6.635 -1.387 1.00 0.00 H new ATOM 0 HE3 LYS A 632 -19.363 -5.995 -0.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 632 -18.158 -7.550 -1.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 632 -18.005 -7.883 0.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 632 -19.054 -8.812 -0.905 1.00 0.00 H new