USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 557 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 616 GLN : amide:sc= 0.27 K(o=0.36,f=-0.55) USER MOD Set 1.2: A 620 GLN : amide:sc= 0.0906 K(o=0.36,f=-0.55) USER MOD Single : A 563 SER OG : rot 24:sc= 0.106 USER MOD Single : A 564 TYR OH : rot 180:sc= 0.867 USER MOD Single : A 565 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 567 GLN : amide:sc= -1.88! K(o=-1.9!,f=-0.1) USER MOD Single : A 572 GLN : amide:sc= 0.969 K(o=0.97,f=-0.0091) USER MOD Single : A 575 GLN : amide:sc= -0.217 K(o=-0.22,f=-1.1) USER MOD Single : A 583 LYS NZ :NH3+ 169:sc= 1.14 (180deg=1.04) USER MOD Single : A 588 GLN : amide:sc= -0.443 K(o=-0.44,f=1.1) USER MOD Single : A 589 THR OG1 : rot 96:sc= 1.22 USER MOD Single : A 590 GLN : amide:sc= -1.79! C(o=-1.8!,f=-3.1!) USER MOD Single : A 595 SER OG : rot -26:sc= 0.281 USER MOD Single : A 598 SER OG : rot 180:sc= 0 USER MOD Single : A 599 GLN : amide:sc= -0.425 X(o=-0.42,f=-0.22) USER MOD Single : A 601 HIS : no HD1:sc= -1.62 K(o=-1.6,f=-2.8!) USER MOD Single : A 603 GLN : amide:sc= -2.46! K(o=-2.5!,f=-3.1) USER MOD Single : A 604 THR OG1 : rot -77:sc= -0.321 USER MOD Single : A 605 GLN : amide:sc= -0.424 X(o=-0.42,f=-0.9) USER MOD Single : A 606 LYS NZ :NH3+ 171:sc= -0.028 (180deg=-0.175) USER MOD Single : A 611 MET CE :methyl 163:sc= -1.62 (180deg=-2.06) USER MOD Single : A 627 TYR OH : rot 180:sc=-0.00353 USER MOD Single : A 632 LYS NZ :NH3+ -160:sc= 1.23 (180deg=1.09) USER MOD ----------------------------------------------------------------- ATOM 198 N SER A 563 -23.095 0.122 -3.225 1.00 0.00 N ATOM 199 CA SER A 563 -23.428 0.593 -4.559 1.00 0.00 C ATOM 200 C SER A 563 -22.546 -0.083 -5.608 1.00 0.00 C ATOM 201 O SER A 563 -21.529 -0.683 -5.263 1.00 0.00 O ATOM 202 CB SER A 563 -23.225 2.102 -4.622 1.00 0.00 C ATOM 203 OG SER A 563 -23.982 2.770 -3.626 1.00 0.00 O ATOM 0 HA SER A 563 -24.468 0.345 -4.769 1.00 0.00 H new ATOM 0 HB2 SER A 563 -22.168 2.334 -4.493 1.00 0.00 H new ATOM 0 HB3 SER A 563 -23.514 2.468 -5.607 1.00 0.00 H new ATOM 0 HG SER A 563 -24.167 2.153 -2.887 1.00 0.00 H new ATOM 209 N TYR A 564 -22.914 0.015 -6.878 1.00 0.00 N ATOM 210 CA TYR A 564 -22.084 -0.533 -7.946 1.00 0.00 C ATOM 211 C TYR A 564 -20.695 0.094 -7.920 1.00 0.00 C ATOM 212 O TYR A 564 -19.690 -0.580 -8.160 1.00 0.00 O ATOM 213 CB TYR A 564 -22.711 -0.290 -9.308 1.00 0.00 C ATOM 214 CG TYR A 564 -21.871 -0.838 -10.429 1.00 0.00 C ATOM 215 CD1 TYR A 564 -21.999 -2.156 -10.833 1.00 0.00 C ATOM 216 CD2 TYR A 564 -20.927 -0.041 -11.064 1.00 0.00 C ATOM 217 CE1 TYR A 564 -21.210 -2.667 -11.837 1.00 0.00 C ATOM 218 CE2 TYR A 564 -20.135 -0.543 -12.070 1.00 0.00 C ATOM 219 CZ TYR A 564 -20.280 -1.856 -12.455 1.00 0.00 C ATOM 220 OH TYR A 564 -19.489 -2.360 -13.463 1.00 0.00 O ATOM 0 H TYR A 564 -23.774 0.464 -7.194 1.00 0.00 H new ATOM 0 HA TYR A 564 -22.004 -1.607 -7.778 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -23.698 -0.750 -9.338 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -22.854 0.781 -9.454 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -22.728 -2.792 -10.353 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -20.813 0.990 -10.763 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -21.318 -3.698 -12.140 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -19.405 0.089 -12.554 1.00 0.00 H new ATOM 0 HH TYR A 564 -18.889 -1.658 -13.790 1.00 0.00 H new ATOM 230 N LYS A 565 -20.636 1.388 -7.636 1.00 0.00 N ATOM 231 CA LYS A 565 -19.360 2.072 -7.525 1.00 0.00 C ATOM 232 C LYS A 565 -18.514 1.430 -6.444 1.00 0.00 C ATOM 233 O LYS A 565 -17.297 1.360 -6.558 1.00 0.00 O ATOM 234 CB LYS A 565 -19.550 3.561 -7.239 1.00 0.00 C ATOM 235 CG LYS A 565 -20.276 3.862 -5.939 1.00 0.00 C ATOM 236 CD LYS A 565 -20.215 5.341 -5.614 1.00 0.00 C ATOM 237 CE LYS A 565 -21.040 6.165 -6.588 1.00 0.00 C ATOM 238 NZ LYS A 565 -20.978 7.618 -6.281 1.00 0.00 N ATOM 0 H LYS A 565 -21.452 1.980 -7.480 1.00 0.00 H new ATOM 0 HA LYS A 565 -18.844 1.980 -8.481 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -18.572 4.042 -7.215 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -20.105 4.009 -8.063 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -21.316 3.546 -6.017 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -19.829 3.289 -5.127 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -20.578 5.506 -4.600 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -19.178 5.677 -5.640 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -20.681 5.993 -7.603 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -22.077 5.832 -6.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -21.554 8.143 -6.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -21.345 7.786 -5.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -19.992 7.943 -6.336 1.00 0.00 H new ATOM 252 N LEU A 566 -19.174 0.918 -5.414 1.00 0.00 N ATOM 253 CA LEU A 566 -18.478 0.271 -4.321 1.00 0.00 C ATOM 254 C LEU A 566 -18.207 -1.178 -4.672 1.00 0.00 C ATOM 255 O LEU A 566 -17.280 -1.783 -4.147 1.00 0.00 O ATOM 256 CB LEU A 566 -19.280 0.359 -3.028 1.00 0.00 C ATOM 257 CG LEU A 566 -19.792 1.744 -2.666 1.00 0.00 C ATOM 258 CD1 LEU A 566 -20.290 1.737 -1.235 1.00 0.00 C ATOM 259 CD2 LEU A 566 -18.704 2.790 -2.866 1.00 0.00 C ATOM 0 H LEU A 566 -20.189 0.940 -5.317 1.00 0.00 H new ATOM 0 HA LEU A 566 -17.531 0.788 -4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -20.133 -0.316 -3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -18.658 -0.004 -2.210 1.00 0.00 H new ATOM 0 HG LEU A 566 -20.620 2.006 -3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -20.658 2.729 -0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -21.098 1.012 -1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -19.473 1.465 -0.567 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -19.092 3.774 -2.601 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -17.851 2.553 -2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -18.390 2.793 -3.910 1.00 0.00 H new ATOM 271 N GLN A 567 -19.033 -1.729 -5.559 1.00 0.00 N ATOM 272 CA GLN A 567 -18.772 -3.043 -6.129 1.00 0.00 C ATOM 273 C GLN A 567 -17.368 -3.064 -6.712 1.00 0.00 C ATOM 274 O GLN A 567 -16.528 -3.875 -6.331 1.00 0.00 O ATOM 275 CB GLN A 567 -19.799 -3.389 -7.229 1.00 0.00 C ATOM 276 CG GLN A 567 -21.149 -3.844 -6.705 1.00 0.00 C ATOM 277 CD GLN A 567 -22.022 -4.444 -7.795 1.00 0.00 C ATOM 278 OE1 GLN A 567 -23.250 -4.363 -7.743 1.00 0.00 O ATOM 279 NE2 GLN A 567 -21.390 -5.062 -8.785 1.00 0.00 N ATOM 0 H GLN A 567 -19.887 -1.284 -5.896 1.00 0.00 H new ATOM 0 HA GLN A 567 -18.861 -3.789 -5.339 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -19.945 -2.513 -7.862 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -19.385 -4.174 -7.862 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -21.000 -4.581 -5.916 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -21.666 -2.996 -6.255 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -20.371 -5.107 -8.790 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -21.923 -5.492 -9.541 1.00 0.00 H new ATOM 288 N ARG A 568 -17.110 -2.108 -7.589 1.00 0.00 N ATOM 289 CA ARG A 568 -15.850 -2.046 -8.308 1.00 0.00 C ATOM 290 C ARG A 568 -14.771 -1.427 -7.433 1.00 0.00 C ATOM 291 O ARG A 568 -13.579 -1.667 -7.632 1.00 0.00 O ATOM 292 CB ARG A 568 -16.029 -1.263 -9.618 1.00 0.00 C ATOM 293 CG ARG A 568 -16.641 -2.086 -10.743 1.00 0.00 C ATOM 294 CD ARG A 568 -17.937 -2.759 -10.312 1.00 0.00 C ATOM 295 NE ARG A 568 -17.793 -4.212 -10.198 1.00 0.00 N ATOM 296 CZ ARG A 568 -18.142 -5.090 -11.138 1.00 0.00 C ATOM 297 NH1 ARG A 568 -18.609 -4.675 -12.309 1.00 0.00 N ATOM 298 NH2 ARG A 568 -17.995 -6.389 -10.907 1.00 0.00 N ATOM 0 H ARG A 568 -17.763 -1.359 -7.821 1.00 0.00 H new ATOM 0 HA ARG A 568 -15.532 -3.058 -8.560 1.00 0.00 H new ATOM 0 HB2 ARG A 568 -16.661 -0.395 -9.429 1.00 0.00 H new ATOM 0 HB3 ARG A 568 -15.059 -0.886 -9.941 1.00 0.00 H new ATOM 0 HG2 ARG A 568 -16.834 -1.442 -11.601 1.00 0.00 H new ATOM 0 HG3 ARG A 568 -15.928 -2.844 -11.068 1.00 0.00 H new ATOM 0 HD2 ARG A 568 -18.255 -2.351 -9.353 1.00 0.00 H new ATOM 0 HD3 ARG A 568 -18.722 -2.529 -11.033 1.00 0.00 H new ATOM 0 HE ARG A 568 -17.395 -4.580 -9.334 1.00 0.00 H new ATOM 0 HH11 ARG A 568 -18.703 -3.677 -12.496 1.00 0.00 H new ATOM 0 HH12 ARG A 568 -18.874 -5.354 -13.022 1.00 0.00 H new ATOM 0 HH21 ARG A 568 -17.617 -6.709 -10.015 1.00 0.00 H new ATOM 0 HH22 ARG A 568 -18.260 -7.067 -11.621 1.00 0.00 H new ATOM 312 N GLU A 569 -15.207 -0.644 -6.454 1.00 0.00 N ATOM 313 CA GLU A 569 -14.305 -0.057 -5.475 1.00 0.00 C ATOM 314 C GLU A 569 -13.707 -1.154 -4.600 1.00 0.00 C ATOM 315 O GLU A 569 -12.506 -1.170 -4.332 1.00 0.00 O ATOM 316 CB GLU A 569 -15.060 0.955 -4.602 1.00 0.00 C ATOM 317 CG GLU A 569 -14.159 1.900 -3.835 1.00 0.00 C ATOM 318 CD GLU A 569 -13.406 2.839 -4.752 1.00 0.00 C ATOM 319 OE1 GLU A 569 -14.057 3.582 -5.517 1.00 0.00 O ATOM 320 OE2 GLU A 569 -12.157 2.839 -4.716 1.00 0.00 O ATOM 0 H GLU A 569 -16.188 -0.400 -6.318 1.00 0.00 H new ATOM 0 HA GLU A 569 -13.501 0.460 -5.999 1.00 0.00 H new ATOM 0 HB2 GLU A 569 -15.727 1.540 -5.236 1.00 0.00 H new ATOM 0 HB3 GLU A 569 -15.687 0.412 -3.894 1.00 0.00 H new ATOM 0 HG2 GLU A 569 -14.757 2.481 -3.134 1.00 0.00 H new ATOM 0 HG3 GLU A 569 -13.448 1.323 -3.245 1.00 0.00 H new ATOM 327 N LEU A 570 -14.559 -2.082 -4.185 1.00 0.00 N ATOM 328 CA LEU A 570 -14.163 -3.144 -3.274 1.00 0.00 C ATOM 329 C LEU A 570 -13.411 -4.246 -4.012 1.00 0.00 C ATOM 330 O LEU A 570 -12.349 -4.645 -3.581 1.00 0.00 O ATOM 331 CB LEU A 570 -15.402 -3.720 -2.572 1.00 0.00 C ATOM 332 CG LEU A 570 -15.162 -4.430 -1.228 1.00 0.00 C ATOM 333 CD1 LEU A 570 -16.490 -4.733 -0.557 1.00 0.00 C ATOM 334 CD2 LEU A 570 -14.377 -5.722 -1.400 1.00 0.00 C ATOM 0 H LEU A 570 -15.538 -2.119 -4.469 1.00 0.00 H new ATOM 0 HA LEU A 570 -13.492 -2.723 -2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -16.109 -2.907 -2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -15.881 -4.426 -3.250 1.00 0.00 H new ATOM 0 HG LEU A 570 -14.573 -3.758 -0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 570 -16.311 -5.236 0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -17.029 -3.802 -0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 570 -17.085 -5.379 -1.203 1.00 0.00 H new ATOM 0 HD21 LEU A 570 -14.230 -6.191 -0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 570 -14.930 -6.400 -2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 570 -13.407 -5.502 -1.847 1.00 0.00 H new ATOM 346 N GLU A 571 -13.957 -4.712 -5.130 1.00 0.00 N ATOM 347 CA GLU A 571 -13.407 -5.872 -5.847 1.00 0.00 C ATOM 348 C GLU A 571 -11.931 -5.722 -6.216 1.00 0.00 C ATOM 349 O GLU A 571 -11.212 -6.716 -6.336 1.00 0.00 O ATOM 350 CB GLU A 571 -14.239 -6.152 -7.098 1.00 0.00 C ATOM 351 CG GLU A 571 -15.587 -6.789 -6.791 1.00 0.00 C ATOM 352 CD GLU A 571 -16.481 -6.901 -8.007 1.00 0.00 C ATOM 353 OE1 GLU A 571 -17.240 -5.952 -8.283 1.00 0.00 O ATOM 354 OE2 GLU A 571 -16.439 -7.944 -8.692 1.00 0.00 O ATOM 0 H GLU A 571 -14.785 -4.306 -5.567 1.00 0.00 H new ATOM 0 HA GLU A 571 -13.463 -6.717 -5.160 1.00 0.00 H new ATOM 0 HB2 GLU A 571 -14.400 -5.218 -7.636 1.00 0.00 H new ATOM 0 HB3 GLU A 571 -13.676 -6.809 -7.761 1.00 0.00 H new ATOM 0 HG2 GLU A 571 -15.426 -7.783 -6.373 1.00 0.00 H new ATOM 0 HG3 GLU A 571 -16.095 -6.200 -6.027 1.00 0.00 H new ATOM 361 N GLN A 572 -11.477 -4.497 -6.383 1.00 0.00 N ATOM 362 CA GLN A 572 -10.097 -4.241 -6.764 1.00 0.00 C ATOM 363 C GLN A 572 -9.205 -4.096 -5.539 1.00 0.00 C ATOM 364 O GLN A 572 -7.993 -4.322 -5.586 1.00 0.00 O ATOM 365 CB GLN A 572 -10.051 -2.946 -7.562 1.00 0.00 C ATOM 366 CG GLN A 572 -10.002 -1.695 -6.690 1.00 0.00 C ATOM 367 CD GLN A 572 -10.146 -0.413 -7.487 1.00 0.00 C ATOM 368 OE1 GLN A 572 -9.156 0.179 -7.922 1.00 0.00 O ATOM 369 NE2 GLN A 572 -11.377 0.014 -7.706 1.00 0.00 N ATOM 0 H GLN A 572 -12.044 -3.658 -6.261 1.00 0.00 H new ATOM 0 HA GLN A 572 -9.734 -5.081 -7.356 1.00 0.00 H new ATOM 0 HB2 GLN A 572 -9.176 -2.960 -8.212 1.00 0.00 H new ATOM 0 HB3 GLN A 572 -10.928 -2.895 -8.208 1.00 0.00 H new ATOM 0 HG2 GLN A 572 -10.797 -1.746 -5.946 1.00 0.00 H new ATOM 0 HG3 GLN A 572 -9.058 -1.674 -6.146 1.00 0.00 H new ATOM 0 HE21 GLN A 572 -12.171 -0.504 -7.329 1.00 0.00 H new ATOM 0 HE22 GLN A 572 -11.533 0.861 -8.252 1.00 0.00 H new ATOM 378 N LEU A 573 -9.839 -3.730 -4.452 1.00 0.00 N ATOM 379 CA LEU A 573 -9.159 -3.231 -3.268 1.00 0.00 C ATOM 380 C LEU A 573 -8.332 -4.323 -2.541 1.00 0.00 C ATOM 381 O LEU A 573 -7.212 -4.040 -2.140 1.00 0.00 O ATOM 382 CB LEU A 573 -10.215 -2.590 -2.361 1.00 0.00 C ATOM 383 CG LEU A 573 -9.771 -1.377 -1.530 1.00 0.00 C ATOM 384 CD1 LEU A 573 -10.956 -0.801 -0.765 1.00 0.00 C ATOM 385 CD2 LEU A 573 -8.646 -1.736 -0.577 1.00 0.00 C ATOM 0 H LEU A 573 -10.854 -3.768 -4.357 1.00 0.00 H new ATOM 0 HA LEU A 573 -8.420 -2.485 -3.560 1.00 0.00 H new ATOM 0 HB2 LEU A 573 -11.057 -2.286 -2.983 1.00 0.00 H new ATOM 0 HB3 LEU A 573 -10.584 -3.354 -1.677 1.00 0.00 H new ATOM 0 HG LEU A 573 -9.391 -0.621 -2.217 1.00 0.00 H new ATOM 0 HD11 LEU A 573 -10.628 0.058 -0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 573 -11.726 -0.488 -1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 573 -11.362 -1.561 -0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 573 -8.358 -0.854 -0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 573 -8.982 -2.516 0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 573 -7.789 -2.096 -1.146 1.00 0.00 H new ATOM 397 N PRO A 574 -8.822 -5.576 -2.360 1.00 0.00 N ATOM 398 CA PRO A 574 -8.012 -6.643 -1.745 1.00 0.00 C ATOM 399 C PRO A 574 -6.737 -6.914 -2.542 1.00 0.00 C ATOM 400 O PRO A 574 -5.663 -7.114 -1.975 1.00 0.00 O ATOM 401 CB PRO A 574 -8.931 -7.868 -1.767 1.00 0.00 C ATOM 402 CG PRO A 574 -10.304 -7.308 -1.869 1.00 0.00 C ATOM 403 CD PRO A 574 -10.168 -6.064 -2.693 1.00 0.00 C ATOM 0 HA PRO A 574 -7.680 -6.376 -0.742 1.00 0.00 H new ATOM 0 HB2 PRO A 574 -8.705 -8.518 -2.612 1.00 0.00 H new ATOM 0 HB3 PRO A 574 -8.814 -8.467 -0.864 1.00 0.00 H new ATOM 0 HG2 PRO A 574 -10.984 -8.018 -2.340 1.00 0.00 H new ATOM 0 HG3 PRO A 574 -10.711 -7.083 -0.883 1.00 0.00 H new ATOM 0 HD2 PRO A 574 -10.266 -6.275 -3.758 1.00 0.00 H new ATOM 0 HD3 PRO A 574 -10.934 -5.331 -2.442 1.00 0.00 H new ATOM 411 N GLN A 575 -6.863 -6.889 -3.865 1.00 0.00 N ATOM 412 CA GLN A 575 -5.715 -7.050 -4.749 1.00 0.00 C ATOM 413 C GLN A 575 -4.759 -5.876 -4.596 1.00 0.00 C ATOM 414 O GLN A 575 -3.559 -5.991 -4.840 1.00 0.00 O ATOM 415 CB GLN A 575 -6.176 -7.167 -6.201 1.00 0.00 C ATOM 416 CG GLN A 575 -6.464 -8.595 -6.624 1.00 0.00 C ATOM 417 CD GLN A 575 -5.209 -9.444 -6.637 1.00 0.00 C ATOM 418 OE1 GLN A 575 -4.117 -8.943 -6.896 1.00 0.00 O ATOM 419 NE2 GLN A 575 -5.352 -10.729 -6.366 1.00 0.00 N ATOM 0 H GLN A 575 -7.751 -6.758 -4.349 1.00 0.00 H new ATOM 0 HA GLN A 575 -5.191 -7.965 -4.472 1.00 0.00 H new ATOM 0 HB2 GLN A 575 -7.075 -6.566 -6.340 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -5.409 -6.749 -6.854 1.00 0.00 H new ATOM 0 HG2 GLN A 575 -7.193 -9.035 -5.944 1.00 0.00 H new ATOM 0 HG3 GLN A 575 -6.913 -8.596 -7.617 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -6.276 -11.106 -6.156 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -4.538 -11.344 -6.367 1.00 0.00 H new ATOM 428 N LEU A 576 -5.310 -4.752 -4.179 1.00 0.00 N ATOM 429 CA LEU A 576 -4.533 -3.553 -3.944 1.00 0.00 C ATOM 430 C LEU A 576 -3.864 -3.600 -2.570 1.00 0.00 C ATOM 431 O LEU A 576 -2.755 -3.102 -2.392 1.00 0.00 O ATOM 432 CB LEU A 576 -5.438 -2.330 -4.060 1.00 0.00 C ATOM 433 CG LEU A 576 -4.810 -1.020 -3.616 1.00 0.00 C ATOM 434 CD1 LEU A 576 -3.747 -0.567 -4.606 1.00 0.00 C ATOM 435 CD2 LEU A 576 -5.875 0.048 -3.428 1.00 0.00 C ATOM 0 H LEU A 576 -6.307 -4.646 -3.994 1.00 0.00 H new ATOM 0 HA LEU A 576 -3.746 -3.488 -4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 576 -5.756 -2.229 -5.098 1.00 0.00 H new ATOM 0 HB3 LEU A 576 -6.336 -2.504 -3.467 1.00 0.00 H new ATOM 0 HG LEU A 576 -4.322 -1.182 -2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 576 -3.311 0.373 -4.267 1.00 0.00 H new ATOM 0 HD12 LEU A 576 -2.967 -1.325 -4.674 1.00 0.00 H new ATOM 0 HD13 LEU A 576 -4.201 -0.424 -5.587 1.00 0.00 H new ATOM 0 HD21 LEU A 576 -5.405 0.979 -3.110 1.00 0.00 H new ATOM 0 HD22 LEU A 576 -6.399 0.210 -4.370 1.00 0.00 H new ATOM 0 HD23 LEU A 576 -6.586 -0.277 -2.669 1.00 0.00 H new ATOM 447 N LEU A 577 -4.543 -4.199 -1.601 1.00 0.00 N ATOM 448 CA LEU A 577 -3.973 -4.379 -0.273 1.00 0.00 C ATOM 449 C LEU A 577 -2.726 -5.232 -0.342 1.00 0.00 C ATOM 450 O LEU A 577 -1.661 -4.813 0.098 1.00 0.00 O ATOM 451 CB LEU A 577 -4.981 -5.003 0.696 1.00 0.00 C ATOM 452 CG LEU A 577 -5.848 -4.019 1.493 1.00 0.00 C ATOM 453 CD1 LEU A 577 -5.528 -2.570 1.144 1.00 0.00 C ATOM 454 CD2 LEU A 577 -7.324 -4.321 1.287 1.00 0.00 C ATOM 0 H LEU A 577 -5.488 -4.568 -1.709 1.00 0.00 H new ATOM 0 HA LEU A 577 -3.711 -3.391 0.105 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.640 -5.660 0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -4.436 -5.630 1.402 1.00 0.00 H new ATOM 0 HG LEU A 577 -5.614 -4.151 2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -6.163 -1.906 1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -4.482 -2.364 1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -5.710 -2.403 0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -7.924 -3.613 1.860 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -7.569 -4.232 0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -7.539 -5.335 1.625 1.00 0.00 H new ATOM 466 N GLU A 578 -2.846 -6.418 -0.916 1.00 0.00 N ATOM 467 CA GLU A 578 -1.688 -7.286 -1.068 1.00 0.00 C ATOM 468 C GLU A 578 -0.651 -6.626 -1.974 1.00 0.00 C ATOM 469 O GLU A 578 0.541 -6.900 -1.864 1.00 0.00 O ATOM 470 CB GLU A 578 -2.081 -8.662 -1.608 1.00 0.00 C ATOM 471 CG GLU A 578 -2.743 -8.639 -2.974 1.00 0.00 C ATOM 472 CD GLU A 578 -2.940 -10.029 -3.536 1.00 0.00 C ATOM 473 OE1 GLU A 578 -3.871 -10.731 -3.090 1.00 0.00 O ATOM 474 OE2 GLU A 578 -2.154 -10.434 -4.416 1.00 0.00 O ATOM 0 H GLU A 578 -3.720 -6.799 -1.280 1.00 0.00 H new ATOM 0 HA GLU A 578 -1.250 -7.437 -0.081 1.00 0.00 H new ATOM 0 HB2 GLU A 578 -1.188 -9.285 -1.662 1.00 0.00 H new ATOM 0 HB3 GLU A 578 -2.759 -9.136 -0.898 1.00 0.00 H new ATOM 0 HG2 GLU A 578 -3.709 -8.139 -2.900 1.00 0.00 H new ATOM 0 HG3 GLU A 578 -2.133 -8.054 -3.662 1.00 0.00 H new ATOM 481 N ASP A 579 -1.114 -5.740 -2.853 1.00 0.00 N ATOM 482 CA ASP A 579 -0.222 -4.977 -3.718 1.00 0.00 C ATOM 483 C ASP A 579 0.674 -4.098 -2.880 1.00 0.00 C ATOM 484 O ASP A 579 1.891 -4.193 -2.943 1.00 0.00 O ATOM 485 CB ASP A 579 -1.012 -4.064 -4.654 1.00 0.00 C ATOM 486 CG ASP A 579 -0.282 -3.774 -5.945 1.00 0.00 C ATOM 487 OD1 ASP A 579 0.536 -2.829 -5.973 1.00 0.00 O ATOM 488 OD2 ASP A 579 -0.527 -4.485 -6.943 1.00 0.00 O ATOM 0 H ASP A 579 -2.104 -5.534 -2.984 1.00 0.00 H new ATOM 0 HA ASP A 579 0.360 -5.691 -4.301 1.00 0.00 H new ATOM 0 HB2 ASP A 579 -1.972 -4.528 -4.881 1.00 0.00 H new ATOM 0 HB3 ASP A 579 -1.225 -3.125 -4.144 1.00 0.00 H new ATOM 493 N LEU A 580 0.039 -3.245 -2.090 1.00 0.00 N ATOM 494 CA LEU A 580 0.733 -2.260 -1.277 1.00 0.00 C ATOM 495 C LEU A 580 1.497 -2.922 -0.143 1.00 0.00 C ATOM 496 O LEU A 580 2.537 -2.430 0.283 1.00 0.00 O ATOM 497 CB LEU A 580 -0.274 -1.263 -0.715 1.00 0.00 C ATOM 498 CG LEU A 580 -1.099 -0.537 -1.770 1.00 0.00 C ATOM 499 CD1 LEU A 580 -2.204 0.272 -1.116 1.00 0.00 C ATOM 500 CD2 LEU A 580 -0.207 0.351 -2.623 1.00 0.00 C ATOM 0 H LEU A 580 -0.976 -3.217 -1.995 1.00 0.00 H new ATOM 0 HA LEU A 580 1.453 -1.739 -1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 580 -0.950 -1.789 -0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 580 0.260 -0.524 -0.117 1.00 0.00 H new ATOM 0 HG LEU A 580 -1.562 -1.278 -2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 580 -2.783 0.784 -1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 580 -2.857 -0.394 -0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 580 -1.766 1.008 -0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 580 -0.812 0.862 -3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 580 0.285 1.088 -1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 580 0.546 -0.260 -3.121 1.00 0.00 H new ATOM 512 N GLU A 581 0.972 -4.032 0.346 1.00 0.00 N ATOM 513 CA GLU A 581 1.630 -4.782 1.397 1.00 0.00 C ATOM 514 C GLU A 581 2.912 -5.399 0.868 1.00 0.00 C ATOM 515 O GLU A 581 3.987 -5.212 1.437 1.00 0.00 O ATOM 516 CB GLU A 581 0.714 -5.873 1.925 1.00 0.00 C ATOM 517 CG GLU A 581 1.266 -6.556 3.157 1.00 0.00 C ATOM 518 CD GLU A 581 0.338 -7.615 3.707 1.00 0.00 C ATOM 519 OE1 GLU A 581 0.249 -8.708 3.109 1.00 0.00 O ATOM 520 OE2 GLU A 581 -0.314 -7.355 4.738 1.00 0.00 O ATOM 0 H GLU A 581 0.089 -4.433 0.030 1.00 0.00 H new ATOM 0 HA GLU A 581 1.869 -4.100 2.213 1.00 0.00 H new ATOM 0 HB2 GLU A 581 -0.259 -5.442 2.159 1.00 0.00 H new ATOM 0 HB3 GLU A 581 0.554 -6.616 1.144 1.00 0.00 H new ATOM 0 HG2 GLU A 581 2.226 -7.012 2.914 1.00 0.00 H new ATOM 0 HG3 GLU A 581 1.454 -5.808 3.928 1.00 0.00 H new ATOM 527 N ALA A 582 2.789 -6.118 -0.245 1.00 0.00 N ATOM 528 CA ALA A 582 3.948 -6.724 -0.891 1.00 0.00 C ATOM 529 C ALA A 582 4.886 -5.635 -1.393 1.00 0.00 C ATOM 530 O ALA A 582 6.100 -5.828 -1.480 1.00 0.00 O ATOM 531 CB ALA A 582 3.517 -7.628 -2.039 1.00 0.00 C ATOM 0 H ALA A 582 1.902 -6.294 -0.716 1.00 0.00 H new ATOM 0 HA ALA A 582 4.475 -7.337 -0.160 1.00 0.00 H new ATOM 0 HB1 ALA A 582 4.398 -8.069 -2.506 1.00 0.00 H new ATOM 0 HB2 ALA A 582 2.874 -8.421 -1.656 1.00 0.00 H new ATOM 0 HB3 ALA A 582 2.970 -7.042 -2.778 1.00 0.00 H new ATOM 537 N LYS A 583 4.307 -4.482 -1.709 1.00 0.00 N ATOM 538 CA LYS A 583 5.075 -3.330 -2.146 1.00 0.00 C ATOM 539 C LYS A 583 5.915 -2.812 -0.988 1.00 0.00 C ATOM 540 O LYS A 583 7.111 -2.566 -1.134 1.00 0.00 O ATOM 541 CB LYS A 583 4.138 -2.228 -2.661 1.00 0.00 C ATOM 542 CG LYS A 583 4.866 -0.986 -3.146 1.00 0.00 C ATOM 543 CD LYS A 583 3.915 0.134 -3.532 1.00 0.00 C ATOM 544 CE LYS A 583 4.698 1.373 -3.931 1.00 0.00 C ATOM 545 NZ LYS A 583 3.830 2.492 -4.382 1.00 0.00 N ATOM 0 H LYS A 583 3.300 -4.323 -1.669 1.00 0.00 H new ATOM 0 HA LYS A 583 5.734 -3.627 -2.962 1.00 0.00 H new ATOM 0 HB2 LYS A 583 3.536 -2.627 -3.477 1.00 0.00 H new ATOM 0 HB3 LYS A 583 3.449 -1.947 -1.864 1.00 0.00 H new ATOM 0 HG2 LYS A 583 5.538 -0.634 -2.363 1.00 0.00 H new ATOM 0 HG3 LYS A 583 5.485 -1.244 -4.005 1.00 0.00 H new ATOM 0 HD2 LYS A 583 3.281 -0.186 -4.359 1.00 0.00 H new ATOM 0 HD3 LYS A 583 3.256 0.365 -2.696 1.00 0.00 H new ATOM 0 HE2 LYS A 583 5.297 1.705 -3.083 1.00 0.00 H new ATOM 0 HE3 LYS A 583 5.392 1.115 -4.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 4.397 3.360 -4.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 3.419 2.261 -5.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 3.066 2.639 -3.691 1.00 0.00 H new ATOM 559 N LEU A 584 5.276 -2.669 0.167 1.00 0.00 N ATOM 560 CA LEU A 584 5.958 -2.231 1.368 1.00 0.00 C ATOM 561 C LEU A 584 7.038 -3.234 1.740 1.00 0.00 C ATOM 562 O LEU A 584 8.155 -2.842 2.057 1.00 0.00 O ATOM 563 CB LEU A 584 4.955 -2.033 2.518 1.00 0.00 C ATOM 564 CG LEU A 584 5.531 -1.447 3.818 1.00 0.00 C ATOM 565 CD1 LEU A 584 6.138 -2.537 4.688 1.00 0.00 C ATOM 566 CD2 LEU A 584 6.565 -0.378 3.498 1.00 0.00 C ATOM 0 H LEU A 584 4.280 -2.853 0.292 1.00 0.00 H new ATOM 0 HA LEU A 584 6.434 -1.269 1.180 1.00 0.00 H new ATOM 0 HB2 LEU A 584 4.157 -1.378 2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 584 4.500 -2.996 2.747 1.00 0.00 H new ATOM 0 HG LEU A 584 4.715 -0.990 4.378 1.00 0.00 H new ATOM 0 HD11 LEU A 584 6.538 -2.094 5.600 1.00 0.00 H new ATOM 0 HD12 LEU A 584 5.370 -3.267 4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 584 6.942 -3.032 4.143 1.00 0.00 H new ATOM 0 HD21 LEU A 584 6.966 0.030 4.426 1.00 0.00 H new ATOM 0 HD22 LEU A 584 7.374 -0.818 2.915 1.00 0.00 H new ATOM 0 HD23 LEU A 584 6.096 0.421 2.923 1.00 0.00 H new ATOM 578 N GLU A 585 6.702 -4.523 1.689 1.00 0.00 N ATOM 579 CA GLU A 585 7.687 -5.576 1.911 1.00 0.00 C ATOM 580 C GLU A 585 8.933 -5.342 1.063 1.00 0.00 C ATOM 581 O GLU A 585 10.024 -5.200 1.595 1.00 0.00 O ATOM 582 CB GLU A 585 7.090 -6.946 1.592 1.00 0.00 C ATOM 583 CG GLU A 585 6.189 -7.480 2.687 1.00 0.00 C ATOM 584 CD GLU A 585 6.944 -7.690 3.980 1.00 0.00 C ATOM 585 OE1 GLU A 585 7.801 -8.595 4.030 1.00 0.00 O ATOM 586 OE2 GLU A 585 6.705 -6.942 4.947 1.00 0.00 O ATOM 0 H GLU A 585 5.759 -4.860 1.497 1.00 0.00 H new ATOM 0 HA GLU A 585 7.973 -5.552 2.963 1.00 0.00 H new ATOM 0 HB2 GLU A 585 6.522 -6.879 0.664 1.00 0.00 H new ATOM 0 HB3 GLU A 585 7.899 -7.655 1.419 1.00 0.00 H new ATOM 0 HG2 GLU A 585 5.368 -6.783 2.854 1.00 0.00 H new ATOM 0 HG3 GLU A 585 5.747 -8.423 2.367 1.00 0.00 H new ATOM 593 N ALA A 586 8.743 -5.274 -0.250 1.00 0.00 N ATOM 594 CA ALA A 586 9.821 -5.051 -1.203 1.00 0.00 C ATOM 595 C ALA A 586 10.633 -3.809 -0.849 1.00 0.00 C ATOM 596 O ALA A 586 11.855 -3.868 -0.734 1.00 0.00 O ATOM 597 CB ALA A 586 9.236 -4.915 -2.603 1.00 0.00 C ATOM 0 H ALA A 586 7.826 -5.373 -0.686 1.00 0.00 H new ATOM 0 HA ALA A 586 10.496 -5.906 -1.166 1.00 0.00 H new ATOM 0 HB1 ALA A 586 10.041 -4.748 -3.319 1.00 0.00 H new ATOM 0 HB2 ALA A 586 8.702 -5.828 -2.864 1.00 0.00 H new ATOM 0 HB3 ALA A 586 8.546 -4.071 -2.629 1.00 0.00 H new ATOM 603 N LEU A 587 9.939 -2.697 -0.654 1.00 0.00 N ATOM 604 CA LEU A 587 10.588 -1.423 -0.370 1.00 0.00 C ATOM 605 C LEU A 587 11.328 -1.468 0.967 1.00 0.00 C ATOM 606 O LEU A 587 12.515 -1.173 1.026 1.00 0.00 O ATOM 607 CB LEU A 587 9.550 -0.302 -0.394 1.00 0.00 C ATOM 608 CG LEU A 587 8.813 -0.169 -1.730 1.00 0.00 C ATOM 609 CD1 LEU A 587 7.675 0.823 -1.626 1.00 0.00 C ATOM 610 CD2 LEU A 587 9.772 0.242 -2.834 1.00 0.00 C ATOM 0 H LEU A 587 8.921 -2.651 -0.687 1.00 0.00 H new ATOM 0 HA LEU A 587 11.332 -1.226 -1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 587 8.821 -0.478 0.396 1.00 0.00 H new ATOM 0 HB3 LEU A 587 10.044 0.643 -0.167 1.00 0.00 H new ATOM 0 HG LEU A 587 8.394 -1.144 -1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 587 7.169 0.898 -2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 587 6.967 0.486 -0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 587 8.069 1.800 -1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 587 9.228 0.331 -3.774 1.00 0.00 H new ATOM 0 HD22 LEU A 587 10.224 1.202 -2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 587 10.553 -0.511 -2.937 1.00 0.00 H new ATOM 622 N GLN A 588 10.638 -1.889 2.021 1.00 0.00 N ATOM 623 CA GLN A 588 11.244 -2.041 3.351 1.00 0.00 C ATOM 624 C GLN A 588 12.383 -3.056 3.329 1.00 0.00 C ATOM 625 O GLN A 588 13.233 -3.070 4.210 1.00 0.00 O ATOM 626 CB GLN A 588 10.184 -2.485 4.365 1.00 0.00 C ATOM 627 CG GLN A 588 9.600 -1.348 5.187 1.00 0.00 C ATOM 628 CD GLN A 588 10.559 -0.865 6.260 1.00 0.00 C ATOM 629 OE1 GLN A 588 11.388 0.011 6.026 1.00 0.00 O ATOM 630 NE2 GLN A 588 10.449 -1.432 7.450 1.00 0.00 N ATOM 0 H GLN A 588 9.649 -2.135 1.985 1.00 0.00 H new ATOM 0 HA GLN A 588 11.650 -1.073 3.644 1.00 0.00 H new ATOM 0 HB2 GLN A 588 9.376 -2.988 3.834 1.00 0.00 H new ATOM 0 HB3 GLN A 588 10.626 -3.218 5.040 1.00 0.00 H new ATOM 0 HG2 GLN A 588 9.347 -0.518 4.528 1.00 0.00 H new ATOM 0 HG3 GLN A 588 8.672 -1.679 5.654 1.00 0.00 H new ATOM 0 HE21 GLN A 588 9.748 -2.156 7.607 1.00 0.00 H new ATOM 0 HE22 GLN A 588 11.065 -1.145 8.211 1.00 0.00 H new ATOM 639 N THR A 589 12.375 -3.902 2.321 1.00 0.00 N ATOM 640 CA THR A 589 13.366 -4.950 2.166 1.00 0.00 C ATOM 641 C THR A 589 14.614 -4.446 1.445 1.00 0.00 C ATOM 642 O THR A 589 15.734 -4.780 1.829 1.00 0.00 O ATOM 643 CB THR A 589 12.710 -6.125 1.413 1.00 0.00 C ATOM 644 OG1 THR A 589 11.889 -6.876 2.314 1.00 0.00 O ATOM 645 CG2 THR A 589 13.705 -7.035 0.730 1.00 0.00 C ATOM 0 H THR A 589 11.675 -3.883 1.579 1.00 0.00 H new ATOM 0 HA THR A 589 13.701 -5.284 3.148 1.00 0.00 H new ATOM 0 HB THR A 589 12.102 -5.690 0.620 1.00 0.00 H new ATOM 0 HG1 THR A 589 10.960 -6.572 2.241 1.00 0.00 H new ATOM 0 HG21 THR A 589 13.173 -7.839 0.221 1.00 0.00 H new ATOM 0 HG22 THR A 589 14.281 -6.463 0.003 1.00 0.00 H new ATOM 0 HG23 THR A 589 14.379 -7.460 1.474 1.00 0.00 H new ATOM 653 N GLN A 590 14.436 -3.627 0.423 1.00 0.00 N ATOM 654 CA GLN A 590 15.576 -3.044 -0.266 1.00 0.00 C ATOM 655 C GLN A 590 16.113 -1.850 0.519 1.00 0.00 C ATOM 656 O GLN A 590 17.268 -1.467 0.368 1.00 0.00 O ATOM 657 CB GLN A 590 15.207 -2.663 -1.702 1.00 0.00 C ATOM 658 CG GLN A 590 13.991 -1.763 -1.818 1.00 0.00 C ATOM 659 CD GLN A 590 13.425 -1.738 -3.224 1.00 0.00 C ATOM 660 OE1 GLN A 590 12.895 -0.727 -3.678 1.00 0.00 O ATOM 661 NE2 GLN A 590 13.505 -2.865 -3.913 1.00 0.00 N ATOM 0 H GLN A 590 13.525 -3.353 0.055 1.00 0.00 H new ATOM 0 HA GLN A 590 16.371 -3.788 -0.325 1.00 0.00 H new ATOM 0 HB2 GLN A 590 16.059 -2.163 -2.163 1.00 0.00 H new ATOM 0 HB3 GLN A 590 15.025 -3.574 -2.272 1.00 0.00 H new ATOM 0 HG2 GLN A 590 13.222 -2.104 -1.125 1.00 0.00 H new ATOM 0 HG3 GLN A 590 14.262 -0.750 -1.520 1.00 0.00 H new ATOM 0 HE21 GLN A 590 13.953 -3.684 -3.501 1.00 0.00 H new ATOM 0 HE22 GLN A 590 13.119 -2.915 -4.856 1.00 0.00 H new ATOM 670 N VAL A 591 15.267 -1.284 1.372 1.00 0.00 N ATOM 671 CA VAL A 591 15.690 -0.253 2.317 1.00 0.00 C ATOM 672 C VAL A 591 16.329 -0.906 3.544 1.00 0.00 C ATOM 673 O VAL A 591 17.130 -0.291 4.248 1.00 0.00 O ATOM 674 CB VAL A 591 14.489 0.633 2.746 1.00 0.00 C ATOM 675 CG1 VAL A 591 14.863 1.608 3.855 1.00 0.00 C ATOM 676 CG2 VAL A 591 13.939 1.396 1.553 1.00 0.00 C ATOM 0 H VAL A 591 14.277 -1.523 1.430 1.00 0.00 H new ATOM 0 HA VAL A 591 16.424 0.386 1.826 1.00 0.00 H new ATOM 0 HB VAL A 591 13.721 -0.035 3.136 1.00 0.00 H new ATOM 0 HG11 VAL A 591 13.992 2.206 4.122 1.00 0.00 H new ATOM 0 HG12 VAL A 591 15.203 1.052 4.729 1.00 0.00 H new ATOM 0 HG13 VAL A 591 15.662 2.264 3.509 1.00 0.00 H new ATOM 0 HG21 VAL A 591 13.098 2.012 1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 591 14.719 2.034 1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 591 13.605 0.690 0.793 1.00 0.00 H new ATOM 686 N ALA A 592 15.989 -2.176 3.774 1.00 0.00 N ATOM 687 CA ALA A 592 16.551 -2.932 4.890 1.00 0.00 C ATOM 688 C ALA A 592 18.045 -3.146 4.690 1.00 0.00 C ATOM 689 O ALA A 592 18.803 -3.308 5.650 1.00 0.00 O ATOM 690 CB ALA A 592 15.853 -4.277 5.042 1.00 0.00 C ATOM 0 H ALA A 592 15.327 -2.700 3.201 1.00 0.00 H new ATOM 0 HA ALA A 592 16.393 -2.353 5.800 1.00 0.00 H new ATOM 0 HB1 ALA A 592 16.290 -4.821 5.880 1.00 0.00 H new ATOM 0 HB2 ALA A 592 14.791 -4.117 5.227 1.00 0.00 H new ATOM 0 HB3 ALA A 592 15.978 -4.857 4.128 1.00 0.00 H new ATOM 696 N ASP A 593 18.449 -3.157 3.428 1.00 0.00 N ATOM 697 CA ASP A 593 19.852 -3.303 3.061 1.00 0.00 C ATOM 698 C ASP A 593 20.641 -2.076 3.508 1.00 0.00 C ATOM 699 O ASP A 593 20.288 -0.945 3.175 1.00 0.00 O ATOM 700 CB ASP A 593 19.978 -3.484 1.546 1.00 0.00 C ATOM 701 CG ASP A 593 21.359 -3.944 1.125 1.00 0.00 C ATOM 702 OD1 ASP A 593 22.314 -3.145 1.206 1.00 0.00 O ATOM 703 OD2 ASP A 593 21.495 -5.112 0.711 1.00 0.00 O ATOM 0 H ASP A 593 17.818 -3.065 2.632 1.00 0.00 H new ATOM 0 HA ASP A 593 20.259 -4.183 3.559 1.00 0.00 H new ATOM 0 HB2 ASP A 593 19.239 -4.210 1.208 1.00 0.00 H new ATOM 0 HB3 ASP A 593 19.747 -2.541 1.051 1.00 0.00 H new ATOM 708 N ALA A 594 21.710 -2.308 4.260 1.00 0.00 N ATOM 709 CA ALA A 594 22.504 -1.221 4.828 1.00 0.00 C ATOM 710 C ALA A 594 23.204 -0.398 3.748 1.00 0.00 C ATOM 711 O ALA A 594 23.559 0.758 3.974 1.00 0.00 O ATOM 712 CB ALA A 594 23.526 -1.771 5.813 1.00 0.00 C ATOM 0 H ALA A 594 22.049 -3.241 4.492 1.00 0.00 H new ATOM 0 HA ALA A 594 21.817 -0.557 5.354 1.00 0.00 H new ATOM 0 HB1 ALA A 594 24.110 -0.950 6.228 1.00 0.00 H new ATOM 0 HB2 ALA A 594 23.010 -2.293 6.619 1.00 0.00 H new ATOM 0 HB3 ALA A 594 24.191 -2.465 5.298 1.00 0.00 H new ATOM 718 N SER A 595 23.396 -0.988 2.577 1.00 0.00 N ATOM 719 CA SER A 595 24.092 -0.312 1.496 1.00 0.00 C ATOM 720 C SER A 595 23.122 0.533 0.672 1.00 0.00 C ATOM 721 O SER A 595 23.543 1.304 -0.193 1.00 0.00 O ATOM 722 CB SER A 595 24.814 -1.334 0.611 1.00 0.00 C ATOM 723 OG SER A 595 25.625 -0.703 -0.366 1.00 0.00 O ATOM 0 H SER A 595 23.080 -1.932 2.353 1.00 0.00 H new ATOM 0 HA SER A 595 24.836 0.358 1.927 1.00 0.00 H new ATOM 0 HB2 SER A 595 25.432 -1.982 1.233 1.00 0.00 H new ATOM 0 HB3 SER A 595 24.080 -1.971 0.118 1.00 0.00 H new ATOM 0 HG SER A 595 25.270 0.190 -0.559 1.00 0.00 H new ATOM 729 N PHE A 596 21.824 0.392 0.947 1.00 0.00 N ATOM 730 CA PHE A 596 20.804 1.171 0.252 1.00 0.00 C ATOM 731 C PHE A 596 21.039 2.668 0.429 1.00 0.00 C ATOM 732 O PHE A 596 21.105 3.419 -0.543 1.00 0.00 O ATOM 733 CB PHE A 596 19.409 0.802 0.766 1.00 0.00 C ATOM 734 CG PHE A 596 18.336 1.768 0.351 1.00 0.00 C ATOM 735 CD1 PHE A 596 17.824 1.749 -0.935 1.00 0.00 C ATOM 736 CD2 PHE A 596 17.851 2.707 1.247 1.00 0.00 C ATOM 737 CE1 PHE A 596 16.847 2.647 -1.318 1.00 0.00 C ATOM 738 CE2 PHE A 596 16.876 3.607 0.870 1.00 0.00 C ATOM 739 CZ PHE A 596 16.373 3.578 -0.413 1.00 0.00 C ATOM 0 H PHE A 596 21.457 -0.254 1.646 1.00 0.00 H new ATOM 0 HA PHE A 596 20.870 0.935 -0.810 1.00 0.00 H new ATOM 0 HB2 PHE A 596 19.150 -0.193 0.404 1.00 0.00 H new ATOM 0 HB3 PHE A 596 19.435 0.748 1.854 1.00 0.00 H new ATOM 0 HD1 PHE A 596 18.192 1.024 -1.646 1.00 0.00 H new ATOM 0 HD2 PHE A 596 18.241 2.735 2.254 1.00 0.00 H new ATOM 0 HE1 PHE A 596 16.454 2.622 -2.324 1.00 0.00 H new ATOM 0 HE2 PHE A 596 16.507 4.333 1.579 1.00 0.00 H new ATOM 0 HZ PHE A 596 15.610 4.282 -0.711 1.00 0.00 H new ATOM 749 N PHE A 597 21.187 3.087 1.679 1.00 0.00 N ATOM 750 CA PHE A 597 21.352 4.504 2.007 1.00 0.00 C ATOM 751 C PHE A 597 22.677 5.052 1.492 1.00 0.00 C ATOM 752 O PHE A 597 22.886 6.266 1.464 1.00 0.00 O ATOM 753 CB PHE A 597 21.262 4.718 3.516 1.00 0.00 C ATOM 754 CG PHE A 597 19.901 4.446 4.083 1.00 0.00 C ATOM 755 CD1 PHE A 597 18.935 5.437 4.091 1.00 0.00 C ATOM 756 CD2 PHE A 597 19.589 3.205 4.612 1.00 0.00 C ATOM 757 CE1 PHE A 597 17.681 5.197 4.615 1.00 0.00 C ATOM 758 CE2 PHE A 597 18.336 2.958 5.136 1.00 0.00 C ATOM 759 CZ PHE A 597 17.380 3.955 5.140 1.00 0.00 C ATOM 0 H PHE A 597 21.197 2.466 2.488 1.00 0.00 H new ATOM 0 HA PHE A 597 20.545 5.045 1.514 1.00 0.00 H new ATOM 0 HB2 PHE A 597 21.987 4.071 4.010 1.00 0.00 H new ATOM 0 HB3 PHE A 597 21.543 5.746 3.746 1.00 0.00 H new ATOM 0 HD1 PHE A 597 19.165 6.410 3.682 1.00 0.00 H new ATOM 0 HD2 PHE A 597 20.333 2.422 4.615 1.00 0.00 H new ATOM 0 HE1 PHE A 597 16.936 5.979 4.615 1.00 0.00 H new ATOM 0 HE2 PHE A 597 18.103 1.985 5.543 1.00 0.00 H new ATOM 0 HZ PHE A 597 16.400 3.764 5.552 1.00 0.00 H new ATOM 769 N SER A 598 23.564 4.156 1.081 1.00 0.00 N ATOM 770 CA SER A 598 24.862 4.543 0.550 1.00 0.00 C ATOM 771 C SER A 598 24.725 5.053 -0.885 1.00 0.00 C ATOM 772 O SER A 598 25.683 5.541 -1.483 1.00 0.00 O ATOM 773 CB SER A 598 25.807 3.344 0.603 1.00 0.00 C ATOM 774 OG SER A 598 25.848 2.795 1.912 1.00 0.00 O ATOM 0 H SER A 598 23.405 3.149 1.106 1.00 0.00 H new ATOM 0 HA SER A 598 25.271 5.351 1.157 1.00 0.00 H new ATOM 0 HB2 SER A 598 25.478 2.584 -0.105 1.00 0.00 H new ATOM 0 HB3 SER A 598 26.808 3.650 0.300 1.00 0.00 H new ATOM 0 HG SER A 598 26.457 2.027 1.926 1.00 0.00 H new ATOM 780 N GLN A 599 23.521 4.931 -1.423 1.00 0.00 N ATOM 781 CA GLN A 599 23.215 5.385 -2.763 1.00 0.00 C ATOM 782 C GLN A 599 22.794 6.855 -2.742 1.00 0.00 C ATOM 783 O GLN A 599 22.618 7.435 -1.667 1.00 0.00 O ATOM 784 CB GLN A 599 22.118 4.499 -3.353 1.00 0.00 C ATOM 785 CG GLN A 599 22.581 3.082 -3.657 1.00 0.00 C ATOM 786 CD GLN A 599 23.673 3.048 -4.706 1.00 0.00 C ATOM 787 OE1 GLN A 599 23.394 2.973 -5.899 1.00 0.00 O ATOM 788 NE2 GLN A 599 24.923 3.081 -4.272 1.00 0.00 N ATOM 0 H GLN A 599 22.728 4.512 -0.937 1.00 0.00 H new ATOM 0 HA GLN A 599 24.102 5.308 -3.391 1.00 0.00 H new ATOM 0 HB2 GLN A 599 21.281 4.458 -2.656 1.00 0.00 H new ATOM 0 HB3 GLN A 599 21.747 4.956 -4.270 1.00 0.00 H new ATOM 0 HG2 GLN A 599 22.945 2.617 -2.741 1.00 0.00 H new ATOM 0 HG3 GLN A 599 21.732 2.490 -4.000 1.00 0.00 H new ATOM 0 HE21 GLN A 599 25.114 3.144 -3.272 1.00 0.00 H new ATOM 0 HE22 GLN A 599 25.695 3.044 -4.938 1.00 0.00 H new ATOM 797 N PRO A 600 22.640 7.484 -3.920 1.00 0.00 N ATOM 798 CA PRO A 600 22.298 8.909 -4.027 1.00 0.00 C ATOM 799 C PRO A 600 20.936 9.237 -3.425 1.00 0.00 C ATOM 800 O PRO A 600 20.012 8.429 -3.472 1.00 0.00 O ATOM 801 CB PRO A 600 22.280 9.154 -5.543 1.00 0.00 C ATOM 802 CG PRO A 600 23.105 8.052 -6.103 1.00 0.00 C ATOM 803 CD PRO A 600 22.789 6.870 -5.249 1.00 0.00 C ATOM 0 HA PRO A 600 23.004 9.534 -3.481 1.00 0.00 H new ATOM 0 HB2 PRO A 600 21.264 9.131 -5.938 1.00 0.00 H new ATOM 0 HB3 PRO A 600 22.697 10.130 -5.793 1.00 0.00 H new ATOM 0 HG2 PRO A 600 22.857 7.863 -7.148 1.00 0.00 H new ATOM 0 HG3 PRO A 600 24.167 8.294 -6.066 1.00 0.00 H new ATOM 0 HD2 PRO A 600 21.877 6.367 -5.570 1.00 0.00 H new ATOM 0 HD3 PRO A 600 23.587 6.128 -5.268 1.00 0.00 H new ATOM 811 N HIS A 601 20.838 10.447 -2.872 1.00 0.00 N ATOM 812 CA HIS A 601 19.608 10.966 -2.260 1.00 0.00 C ATOM 813 C HIS A 601 18.441 10.855 -3.220 1.00 0.00 C ATOM 814 O HIS A 601 17.317 10.579 -2.827 1.00 0.00 O ATOM 815 CB HIS A 601 19.818 12.441 -1.896 1.00 0.00 C ATOM 816 CG HIS A 601 18.715 13.080 -1.105 1.00 0.00 C ATOM 817 ND1 HIS A 601 18.700 13.099 0.271 1.00 0.00 N ATOM 818 CD2 HIS A 601 17.617 13.768 -1.503 1.00 0.00 C ATOM 819 CE1 HIS A 601 17.644 13.772 0.689 1.00 0.00 C ATOM 820 NE2 HIS A 601 16.969 14.190 -0.366 1.00 0.00 N ATOM 0 H HIS A 601 21.618 11.104 -2.835 1.00 0.00 H new ATOM 0 HA HIS A 601 19.384 10.380 -1.369 1.00 0.00 H new ATOM 0 HB2 HIS A 601 20.744 12.528 -1.328 1.00 0.00 H new ATOM 0 HB3 HIS A 601 19.955 13.007 -2.817 1.00 0.00 H new ATOM 0 HD2 HIS A 601 17.309 13.950 -2.522 1.00 0.00 H new ATOM 0 HE1 HIS A 601 17.377 13.951 1.720 1.00 0.00 H new ATOM 0 HE2 HIS A 601 16.108 14.736 -0.342 1.00 0.00 H new ATOM 829 N GLU A 602 18.734 11.087 -4.480 1.00 0.00 N ATOM 830 CA GLU A 602 17.724 11.107 -5.514 1.00 0.00 C ATOM 831 C GLU A 602 17.162 9.710 -5.759 1.00 0.00 C ATOM 832 O GLU A 602 15.993 9.558 -6.111 1.00 0.00 O ATOM 833 CB GLU A 602 18.313 11.695 -6.799 1.00 0.00 C ATOM 834 CG GLU A 602 19.135 12.958 -6.560 1.00 0.00 C ATOM 835 CD GLU A 602 20.599 12.668 -6.292 1.00 0.00 C ATOM 836 OE1 GLU A 602 20.962 12.424 -5.123 1.00 0.00 O ATOM 837 OE2 GLU A 602 21.397 12.690 -7.250 1.00 0.00 O ATOM 0 H GLU A 602 19.680 11.267 -4.817 1.00 0.00 H new ATOM 0 HA GLU A 602 16.898 11.737 -5.185 1.00 0.00 H new ATOM 0 HB2 GLU A 602 18.942 10.945 -7.279 1.00 0.00 H new ATOM 0 HB3 GLU A 602 17.503 11.922 -7.492 1.00 0.00 H new ATOM 0 HG2 GLU A 602 19.052 13.609 -7.430 1.00 0.00 H new ATOM 0 HG3 GLU A 602 18.717 13.503 -5.713 1.00 0.00 H new ATOM 844 N GLN A 603 17.990 8.688 -5.572 1.00 0.00 N ATOM 845 CA GLN A 603 17.535 7.318 -5.754 1.00 0.00 C ATOM 846 C GLN A 603 16.896 6.807 -4.462 1.00 0.00 C ATOM 847 O GLN A 603 15.846 6.163 -4.487 1.00 0.00 O ATOM 848 CB GLN A 603 18.697 6.411 -6.215 1.00 0.00 C ATOM 849 CG GLN A 603 19.481 5.717 -5.111 1.00 0.00 C ATOM 850 CD GLN A 603 18.872 4.385 -4.692 1.00 0.00 C ATOM 851 OE1 GLN A 603 18.989 3.974 -3.539 1.00 0.00 O ATOM 852 NE2 GLN A 603 18.229 3.694 -5.625 1.00 0.00 N ATOM 0 H GLN A 603 18.968 8.782 -5.298 1.00 0.00 H new ATOM 0 HA GLN A 603 16.779 7.294 -6.539 1.00 0.00 H new ATOM 0 HB2 GLN A 603 18.294 5.648 -6.881 1.00 0.00 H new ATOM 0 HB3 GLN A 603 19.390 7.013 -6.802 1.00 0.00 H new ATOM 0 HG2 GLN A 603 20.504 5.552 -5.449 1.00 0.00 H new ATOM 0 HG3 GLN A 603 19.534 6.374 -4.243 1.00 0.00 H new ATOM 0 HE21 GLN A 603 18.151 4.065 -6.572 1.00 0.00 H new ATOM 0 HE22 GLN A 603 17.813 2.792 -5.395 1.00 0.00 H new ATOM 861 N THR A 604 17.523 7.125 -3.332 1.00 0.00 N ATOM 862 CA THR A 604 17.064 6.642 -2.039 1.00 0.00 C ATOM 863 C THR A 604 15.726 7.250 -1.664 1.00 0.00 C ATOM 864 O THR A 604 14.808 6.539 -1.266 1.00 0.00 O ATOM 865 CB THR A 604 18.079 6.938 -0.917 1.00 0.00 C ATOM 866 OG1 THR A 604 18.483 8.313 -0.962 1.00 0.00 O ATOM 867 CG2 THR A 604 19.297 6.035 -1.026 1.00 0.00 C ATOM 0 H THR A 604 18.352 7.717 -3.289 1.00 0.00 H new ATOM 0 HA THR A 604 16.957 5.562 -2.140 1.00 0.00 H new ATOM 0 HB THR A 604 17.591 6.739 0.037 1.00 0.00 H new ATOM 0 HG1 THR A 604 19.127 8.441 -1.690 1.00 0.00 H new ATOM 0 HG21 THR A 604 19.995 6.267 -0.222 1.00 0.00 H new ATOM 0 HG22 THR A 604 18.986 4.993 -0.947 1.00 0.00 H new ATOM 0 HG23 THR A 604 19.785 6.196 -1.987 1.00 0.00 H new ATOM 875 N GLN A 605 15.612 8.563 -1.806 1.00 0.00 N ATOM 876 CA GLN A 605 14.394 9.263 -1.428 1.00 0.00 C ATOM 877 C GLN A 605 13.214 8.824 -2.273 1.00 0.00 C ATOM 878 O GLN A 605 12.076 8.891 -1.826 1.00 0.00 O ATOM 879 CB GLN A 605 14.587 10.772 -1.513 1.00 0.00 C ATOM 880 CG GLN A 605 15.433 11.327 -0.384 1.00 0.00 C ATOM 881 CD GLN A 605 14.870 11.000 0.988 1.00 0.00 C ATOM 882 OE1 GLN A 605 13.658 10.874 1.165 1.00 0.00 O ATOM 883 NE2 GLN A 605 15.745 10.865 1.974 1.00 0.00 N ATOM 0 H GLN A 605 16.347 9.163 -2.180 1.00 0.00 H new ATOM 0 HA GLN A 605 14.174 9.002 -0.393 1.00 0.00 H new ATOM 0 HB2 GLN A 605 15.055 11.019 -2.466 1.00 0.00 H new ATOM 0 HB3 GLN A 605 13.612 11.258 -1.501 1.00 0.00 H new ATOM 0 HG2 GLN A 605 16.444 10.926 -0.462 1.00 0.00 H new ATOM 0 HG3 GLN A 605 15.510 12.409 -0.492 1.00 0.00 H new ATOM 0 HE21 GLN A 605 16.742 10.976 1.790 1.00 0.00 H new ATOM 0 HE22 GLN A 605 15.421 10.650 2.917 1.00 0.00 H new ATOM 892 N LYS A 606 13.481 8.369 -3.489 1.00 0.00 N ATOM 893 CA LYS A 606 12.448 7.760 -4.300 1.00 0.00 C ATOM 894 C LYS A 606 11.887 6.549 -3.576 1.00 0.00 C ATOM 895 O LYS A 606 10.690 6.463 -3.306 1.00 0.00 O ATOM 896 CB LYS A 606 12.997 7.319 -5.631 1.00 0.00 C ATOM 897 CG LYS A 606 11.927 6.704 -6.495 1.00 0.00 C ATOM 898 CD LYS A 606 12.543 5.863 -7.568 1.00 0.00 C ATOM 899 CE LYS A 606 11.491 5.156 -8.412 1.00 0.00 C ATOM 900 NZ LYS A 606 10.527 6.103 -9.026 1.00 0.00 N ATOM 0 H LYS A 606 14.400 8.412 -3.930 1.00 0.00 H new ATOM 0 HA LYS A 606 11.665 8.500 -4.469 1.00 0.00 H new ATOM 0 HB2 LYS A 606 13.435 8.174 -6.146 1.00 0.00 H new ATOM 0 HB3 LYS A 606 13.798 6.597 -5.474 1.00 0.00 H new ATOM 0 HG2 LYS A 606 11.262 6.094 -5.883 1.00 0.00 H new ATOM 0 HG3 LYS A 606 11.317 7.488 -6.944 1.00 0.00 H new ATOM 0 HD2 LYS A 606 13.162 6.490 -8.210 1.00 0.00 H new ATOM 0 HD3 LYS A 606 13.202 5.123 -7.115 1.00 0.00 H new ATOM 0 HE2 LYS A 606 11.984 4.584 -9.198 1.00 0.00 H new ATOM 0 HE3 LYS A 606 10.950 4.443 -7.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 9.928 5.595 -9.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 9.930 6.520 -8.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 11.047 6.858 -9.517 1.00 0.00 H new ATOM 914 N VAL A 607 12.784 5.637 -3.236 1.00 0.00 N ATOM 915 CA VAL A 607 12.413 4.388 -2.593 1.00 0.00 C ATOM 916 C VAL A 607 11.840 4.648 -1.203 1.00 0.00 C ATOM 917 O VAL A 607 10.829 4.072 -0.823 1.00 0.00 O ATOM 918 CB VAL A 607 13.625 3.441 -2.485 1.00 0.00 C ATOM 919 CG1 VAL A 607 13.212 2.096 -1.903 1.00 0.00 C ATOM 920 CG2 VAL A 607 14.285 3.259 -3.845 1.00 0.00 C ATOM 0 H VAL A 607 13.786 5.742 -3.397 1.00 0.00 H new ATOM 0 HA VAL A 607 11.651 3.912 -3.210 1.00 0.00 H new ATOM 0 HB VAL A 607 14.351 3.893 -1.809 1.00 0.00 H new ATOM 0 HG11 VAL A 607 14.084 1.445 -1.837 1.00 0.00 H new ATOM 0 HG12 VAL A 607 12.793 2.244 -0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 607 12.463 1.635 -2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 607 15.138 2.588 -3.748 1.00 0.00 H new ATOM 0 HG22 VAL A 607 13.566 2.833 -4.545 1.00 0.00 H new ATOM 0 HG23 VAL A 607 14.624 4.226 -4.217 1.00 0.00 H new ATOM 930 N LEU A 608 12.490 5.540 -0.462 1.00 0.00 N ATOM 931 CA LEU A 608 12.068 5.886 0.892 1.00 0.00 C ATOM 932 C LEU A 608 10.671 6.506 0.899 1.00 0.00 C ATOM 933 O LEU A 608 9.822 6.132 1.709 1.00 0.00 O ATOM 934 CB LEU A 608 13.074 6.856 1.527 1.00 0.00 C ATOM 935 CG LEU A 608 14.454 6.267 1.835 1.00 0.00 C ATOM 936 CD1 LEU A 608 15.388 7.348 2.354 1.00 0.00 C ATOM 937 CD2 LEU A 608 14.342 5.137 2.843 1.00 0.00 C ATOM 0 H LEU A 608 13.319 6.041 -0.780 1.00 0.00 H new ATOM 0 HA LEU A 608 12.033 4.967 1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 608 13.203 7.707 0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 608 12.647 7.240 2.454 1.00 0.00 H new ATOM 0 HG LEU A 608 14.868 5.863 0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 608 16.364 6.913 2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 608 15.496 8.128 1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 608 14.975 7.779 3.266 1.00 0.00 H new ATOM 0 HD21 LEU A 608 15.333 4.733 3.048 1.00 0.00 H new ATOM 0 HD22 LEU A 608 13.907 5.516 3.768 1.00 0.00 H new ATOM 0 HD23 LEU A 608 13.706 4.350 2.438 1.00 0.00 H new ATOM 949 N ALA A 609 10.438 7.446 -0.010 1.00 0.00 N ATOM 950 CA ALA A 609 9.144 8.106 -0.106 1.00 0.00 C ATOM 951 C ALA A 609 8.070 7.128 -0.568 1.00 0.00 C ATOM 952 O ALA A 609 6.958 7.114 -0.038 1.00 0.00 O ATOM 953 CB ALA A 609 9.229 9.294 -1.051 1.00 0.00 C ATOM 0 H ALA A 609 11.128 7.767 -0.689 1.00 0.00 H new ATOM 0 HA ALA A 609 8.867 8.468 0.884 1.00 0.00 H new ATOM 0 HB1 ALA A 609 8.255 9.779 -1.114 1.00 0.00 H new ATOM 0 HB2 ALA A 609 9.965 10.005 -0.676 1.00 0.00 H new ATOM 0 HB3 ALA A 609 9.528 8.951 -2.041 1.00 0.00 H new ATOM 959 N ASP A 610 8.423 6.302 -1.549 1.00 0.00 N ATOM 960 CA ASP A 610 7.511 5.293 -2.082 1.00 0.00 C ATOM 961 C ASP A 610 7.194 4.252 -1.015 1.00 0.00 C ATOM 962 O ASP A 610 6.067 3.768 -0.916 1.00 0.00 O ATOM 963 CB ASP A 610 8.128 4.628 -3.318 1.00 0.00 C ATOM 964 CG ASP A 610 7.150 3.747 -4.070 1.00 0.00 C ATOM 965 OD1 ASP A 610 6.000 4.185 -4.301 1.00 0.00 O ATOM 966 OD2 ASP A 610 7.527 2.616 -4.441 1.00 0.00 O ATOM 0 H ASP A 610 9.341 6.312 -1.994 1.00 0.00 H new ATOM 0 HA ASP A 610 6.580 5.777 -2.376 1.00 0.00 H new ATOM 0 HB2 ASP A 610 8.503 5.400 -3.990 1.00 0.00 H new ATOM 0 HB3 ASP A 610 8.985 4.029 -3.011 1.00 0.00 H new ATOM 971 N MET A 611 8.200 3.931 -0.209 1.00 0.00 N ATOM 972 CA MET A 611 8.050 3.005 0.909 1.00 0.00 C ATOM 973 C MET A 611 7.051 3.530 1.927 1.00 0.00 C ATOM 974 O MET A 611 6.099 2.837 2.290 1.00 0.00 O ATOM 975 CB MET A 611 9.401 2.778 1.585 1.00 0.00 C ATOM 976 CG MET A 611 9.314 2.004 2.886 1.00 0.00 C ATOM 977 SD MET A 611 10.920 1.815 3.670 1.00 0.00 S ATOM 978 CE MET A 611 11.307 3.524 4.028 1.00 0.00 C ATOM 0 H MET A 611 9.143 4.305 -0.312 1.00 0.00 H new ATOM 0 HA MET A 611 7.675 2.060 0.515 1.00 0.00 H new ATOM 0 HB2 MET A 611 10.055 2.242 0.897 1.00 0.00 H new ATOM 0 HB3 MET A 611 9.866 3.744 1.779 1.00 0.00 H new ATOM 0 HG2 MET A 611 8.636 2.518 3.568 1.00 0.00 H new ATOM 0 HG3 MET A 611 8.887 1.020 2.694 1.00 0.00 H new ATOM 0 HE1 MET A 611 12.106 3.569 4.768 1.00 0.00 H new ATOM 0 HE2 MET A 611 11.631 4.023 3.114 1.00 0.00 H new ATOM 0 HE3 MET A 611 10.421 4.023 4.420 1.00 0.00 H new ATOM 988 N ALA A 612 7.265 4.758 2.377 1.00 0.00 N ATOM 989 CA ALA A 612 6.401 5.359 3.377 1.00 0.00 C ATOM 990 C ALA A 612 4.980 5.495 2.846 1.00 0.00 C ATOM 991 O ALA A 612 4.013 5.313 3.582 1.00 0.00 O ATOM 992 CB ALA A 612 6.942 6.714 3.803 1.00 0.00 C ATOM 0 H ALA A 612 8.030 5.356 2.064 1.00 0.00 H new ATOM 0 HA ALA A 612 6.380 4.706 4.249 1.00 0.00 H new ATOM 0 HB1 ALA A 612 6.282 7.150 4.553 1.00 0.00 H new ATOM 0 HB2 ALA A 612 7.939 6.591 4.225 1.00 0.00 H new ATOM 0 HB3 ALA A 612 6.993 7.374 2.937 1.00 0.00 H new ATOM 998 N ALA A 613 4.861 5.789 1.559 1.00 0.00 N ATOM 999 CA ALA A 613 3.555 5.931 0.938 1.00 0.00 C ATOM 1000 C ALA A 613 2.906 4.572 0.705 1.00 0.00 C ATOM 1001 O ALA A 613 1.691 4.477 0.575 1.00 0.00 O ATOM 1002 CB ALA A 613 3.652 6.700 -0.369 1.00 0.00 C ATOM 0 H ALA A 613 5.650 5.933 0.928 1.00 0.00 H new ATOM 0 HA ALA A 613 2.926 6.498 1.624 1.00 0.00 H new ATOM 0 HB1 ALA A 613 2.660 6.791 -0.812 1.00 0.00 H new ATOM 0 HB2 ALA A 613 4.057 7.694 -0.177 1.00 0.00 H new ATOM 0 HB3 ALA A 613 4.309 6.167 -1.057 1.00 0.00 H new ATOM 1008 N ALA A 614 3.717 3.521 0.653 1.00 0.00 N ATOM 1009 CA ALA A 614 3.202 2.172 0.458 1.00 0.00 C ATOM 1010 C ALA A 614 2.410 1.720 1.671 1.00 0.00 C ATOM 1011 O ALA A 614 1.249 1.336 1.551 1.00 0.00 O ATOM 1012 CB ALA A 614 4.330 1.197 0.166 1.00 0.00 C ATOM 0 H ALA A 614 4.731 3.578 0.743 1.00 0.00 H new ATOM 0 HA ALA A 614 2.535 2.188 -0.404 1.00 0.00 H new ATOM 0 HB1 ALA A 614 3.919 0.197 0.024 1.00 0.00 H new ATOM 0 HB2 ALA A 614 4.853 1.506 -0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 614 5.028 1.187 1.003 1.00 0.00 H new ATOM 1018 N GLU A 615 3.040 1.778 2.840 1.00 0.00 N ATOM 1019 CA GLU A 615 2.358 1.429 4.083 1.00 0.00 C ATOM 1020 C GLU A 615 1.235 2.417 4.369 1.00 0.00 C ATOM 1021 O GLU A 615 0.189 2.047 4.902 1.00 0.00 O ATOM 1022 CB GLU A 615 3.342 1.387 5.255 1.00 0.00 C ATOM 1023 CG GLU A 615 4.261 2.595 5.339 1.00 0.00 C ATOM 1024 CD GLU A 615 5.131 2.578 6.579 1.00 0.00 C ATOM 1025 OE1 GLU A 615 5.741 1.531 6.868 1.00 0.00 O ATOM 1026 OE2 GLU A 615 5.220 3.616 7.266 1.00 0.00 O ATOM 0 H GLU A 615 4.013 2.061 2.954 1.00 0.00 H new ATOM 0 HA GLU A 615 1.928 0.435 3.965 1.00 0.00 H new ATOM 0 HB2 GLU A 615 2.779 1.307 6.185 1.00 0.00 H new ATOM 0 HB3 GLU A 615 3.950 0.486 5.172 1.00 0.00 H new ATOM 0 HG2 GLU A 615 4.896 2.626 4.454 1.00 0.00 H new ATOM 0 HG3 GLU A 615 3.661 3.505 5.333 1.00 0.00 H new ATOM 1033 N GLN A 616 1.460 3.672 3.996 1.00 0.00 N ATOM 1034 CA GLN A 616 0.458 4.715 4.145 1.00 0.00 C ATOM 1035 C GLN A 616 -0.803 4.382 3.344 1.00 0.00 C ATOM 1036 O GLN A 616 -1.900 4.307 3.903 1.00 0.00 O ATOM 1037 CB GLN A 616 1.045 6.058 3.697 1.00 0.00 C ATOM 1038 CG GLN A 616 0.024 7.172 3.585 1.00 0.00 C ATOM 1039 CD GLN A 616 -0.765 7.370 4.864 1.00 0.00 C ATOM 1040 OE1 GLN A 616 -0.254 7.165 5.967 1.00 0.00 O ATOM 1041 NE2 GLN A 616 -2.028 7.730 4.725 1.00 0.00 N ATOM 0 H GLN A 616 2.337 3.991 3.585 1.00 0.00 H new ATOM 0 HA GLN A 616 0.174 4.782 5.195 1.00 0.00 H new ATOM 0 HB2 GLN A 616 1.819 6.358 4.404 1.00 0.00 H new ATOM 0 HB3 GLN A 616 1.531 5.926 2.730 1.00 0.00 H new ATOM 0 HG2 GLN A 616 0.532 8.101 3.329 1.00 0.00 H new ATOM 0 HG3 GLN A 616 -0.664 6.949 2.769 1.00 0.00 H new ATOM 0 HE21 GLN A 616 -2.413 7.890 3.794 1.00 0.00 H new ATOM 0 HE22 GLN A 616 -2.618 7.848 5.548 1.00 0.00 H new ATOM 1050 N GLU A 617 -0.631 4.166 2.044 1.00 0.00 N ATOM 1051 CA GLU A 617 -1.747 3.856 1.155 1.00 0.00 C ATOM 1052 C GLU A 617 -2.388 2.535 1.564 1.00 0.00 C ATOM 1053 O GLU A 617 -3.602 2.365 1.465 1.00 0.00 O ATOM 1054 CB GLU A 617 -1.261 3.774 -0.297 1.00 0.00 C ATOM 1055 CG GLU A 617 -2.374 3.617 -1.327 1.00 0.00 C ATOM 1056 CD GLU A 617 -3.166 4.891 -1.540 1.00 0.00 C ATOM 1057 OE1 GLU A 617 -2.623 5.986 -1.283 1.00 0.00 O ATOM 1058 OE2 GLU A 617 -4.330 4.808 -1.991 1.00 0.00 O ATOM 0 H GLU A 617 0.276 4.200 1.580 1.00 0.00 H new ATOM 0 HA GLU A 617 -2.489 4.651 1.233 1.00 0.00 H new ATOM 0 HB2 GLU A 617 -0.693 4.675 -0.528 1.00 0.00 H new ATOM 0 HB3 GLU A 617 -0.575 2.932 -0.390 1.00 0.00 H new ATOM 0 HG2 GLU A 617 -1.941 3.301 -2.276 1.00 0.00 H new ATOM 0 HG3 GLU A 617 -3.050 2.825 -1.006 1.00 0.00 H new ATOM 1065 N LEU A 618 -1.559 1.615 2.041 1.00 0.00 N ATOM 1066 CA LEU A 618 -2.018 0.296 2.453 1.00 0.00 C ATOM 1067 C LEU A 618 -3.097 0.389 3.524 1.00 0.00 C ATOM 1068 O LEU A 618 -4.186 -0.159 3.364 1.00 0.00 O ATOM 1069 CB LEU A 618 -0.840 -0.534 2.974 1.00 0.00 C ATOM 1070 CG LEU A 618 -1.191 -1.932 3.478 1.00 0.00 C ATOM 1071 CD1 LEU A 618 -1.782 -2.767 2.363 1.00 0.00 C ATOM 1072 CD2 LEU A 618 0.041 -2.612 4.047 1.00 0.00 C ATOM 0 H LEU A 618 -0.556 1.761 2.152 1.00 0.00 H new ATOM 0 HA LEU A 618 -2.450 -0.193 1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 618 -0.104 -0.629 2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 618 -0.362 0.016 3.785 1.00 0.00 H new ATOM 0 HG LEU A 618 -1.935 -1.836 4.269 1.00 0.00 H new ATOM 0 HD11 LEU A 618 -2.026 -3.760 2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 618 -2.688 -2.288 1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 618 -1.059 -2.855 1.552 1.00 0.00 H new ATOM 0 HD21 LEU A 618 -0.224 -3.608 4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 618 0.802 -2.695 3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 618 0.431 -2.023 4.877 1.00 0.00 H new ATOM 1084 N GLU A 619 -2.806 1.093 4.608 1.00 0.00 N ATOM 1085 CA GLU A 619 -3.734 1.150 5.725 1.00 0.00 C ATOM 1086 C GLU A 619 -4.948 2.022 5.423 1.00 0.00 C ATOM 1087 O GLU A 619 -6.056 1.690 5.840 1.00 0.00 O ATOM 1088 CB GLU A 619 -3.039 1.615 7.000 1.00 0.00 C ATOM 1089 CG GLU A 619 -2.200 2.866 6.835 1.00 0.00 C ATOM 1090 CD GLU A 619 -1.573 3.301 8.138 1.00 0.00 C ATOM 1091 OE1 GLU A 619 -0.732 2.553 8.676 1.00 0.00 O ATOM 1092 OE2 GLU A 619 -1.933 4.385 8.644 1.00 0.00 O ATOM 0 H GLU A 619 -1.946 1.626 4.737 1.00 0.00 H new ATOM 0 HA GLU A 619 -4.096 0.134 5.883 1.00 0.00 H new ATOM 0 HB2 GLU A 619 -3.794 1.797 7.765 1.00 0.00 H new ATOM 0 HB3 GLU A 619 -2.401 0.810 7.366 1.00 0.00 H new ATOM 0 HG2 GLU A 619 -1.417 2.683 6.099 1.00 0.00 H new ATOM 0 HG3 GLU A 619 -2.822 3.671 6.445 1.00 0.00 H new ATOM 1099 N GLN A 620 -4.765 3.122 4.696 1.00 0.00 N ATOM 1100 CA GLN A 620 -5.907 3.961 4.341 1.00 0.00 C ATOM 1101 C GLN A 620 -6.849 3.206 3.413 1.00 0.00 C ATOM 1102 O GLN A 620 -8.072 3.350 3.505 1.00 0.00 O ATOM 1103 CB GLN A 620 -5.488 5.293 3.706 1.00 0.00 C ATOM 1104 CG GLN A 620 -4.637 5.164 2.456 1.00 0.00 C ATOM 1105 CD GLN A 620 -4.397 6.501 1.780 1.00 0.00 C ATOM 1106 OE1 GLN A 620 -3.430 7.205 2.079 1.00 0.00 O ATOM 1107 NE2 GLN A 620 -5.281 6.868 0.863 1.00 0.00 N ATOM 0 H GLN A 620 -3.863 3.447 4.349 1.00 0.00 H new ATOM 0 HA GLN A 620 -6.426 4.201 5.269 1.00 0.00 H new ATOM 0 HB2 GLN A 620 -6.386 5.860 3.460 1.00 0.00 H new ATOM 0 HB3 GLN A 620 -4.937 5.874 4.445 1.00 0.00 H new ATOM 0 HG2 GLN A 620 -3.679 4.714 2.717 1.00 0.00 H new ATOM 0 HG3 GLN A 620 -5.126 4.488 1.755 1.00 0.00 H new ATOM 0 HE21 GLN A 620 -6.069 6.259 0.642 1.00 0.00 H new ATOM 0 HE22 GLN A 620 -5.173 7.759 0.379 1.00 0.00 H new ATOM 1116 N ALA A 621 -6.283 2.386 2.537 1.00 0.00 N ATOM 1117 CA ALA A 621 -7.086 1.558 1.656 1.00 0.00 C ATOM 1118 C ALA A 621 -7.717 0.419 2.449 1.00 0.00 C ATOM 1119 O ALA A 621 -8.864 0.045 2.214 1.00 0.00 O ATOM 1120 CB ALA A 621 -6.247 1.017 0.507 1.00 0.00 C ATOM 0 H ALA A 621 -5.275 2.279 2.420 1.00 0.00 H new ATOM 0 HA ALA A 621 -7.880 2.170 1.228 1.00 0.00 H new ATOM 0 HB1 ALA A 621 -6.871 0.400 -0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 621 -5.839 1.848 -0.068 1.00 0.00 H new ATOM 0 HB3 ALA A 621 -5.430 0.415 0.905 1.00 0.00 H new ATOM 1126 N PHE A 622 -6.956 -0.112 3.404 1.00 0.00 N ATOM 1127 CA PHE A 622 -7.440 -1.168 4.289 1.00 0.00 C ATOM 1128 C PHE A 622 -8.689 -0.721 5.044 1.00 0.00 C ATOM 1129 O PHE A 622 -9.674 -1.452 5.118 1.00 0.00 O ATOM 1130 CB PHE A 622 -6.355 -1.566 5.289 1.00 0.00 C ATOM 1131 CG PHE A 622 -5.816 -2.952 5.086 1.00 0.00 C ATOM 1132 CD1 PHE A 622 -6.630 -4.057 5.267 1.00 0.00 C ATOM 1133 CD2 PHE A 622 -4.497 -3.150 4.715 1.00 0.00 C ATOM 1134 CE1 PHE A 622 -6.138 -5.334 5.081 1.00 0.00 C ATOM 1135 CE2 PHE A 622 -4.000 -4.426 4.530 1.00 0.00 C ATOM 1136 CZ PHE A 622 -4.821 -5.519 4.713 1.00 0.00 C ATOM 0 H PHE A 622 -5.994 0.175 3.585 1.00 0.00 H new ATOM 0 HA PHE A 622 -7.694 -2.029 3.670 1.00 0.00 H new ATOM 0 HB2 PHE A 622 -5.533 -0.854 5.220 1.00 0.00 H new ATOM 0 HB3 PHE A 622 -6.760 -1.489 6.298 1.00 0.00 H new ATOM 0 HD1 PHE A 622 -7.661 -3.919 5.557 1.00 0.00 H new ATOM 0 HD2 PHE A 622 -3.850 -2.298 4.569 1.00 0.00 H new ATOM 0 HE1 PHE A 622 -6.784 -6.188 5.224 1.00 0.00 H new ATOM 0 HE2 PHE A 622 -2.969 -4.567 4.242 1.00 0.00 H new ATOM 0 HZ PHE A 622 -4.434 -6.517 4.569 1.00 0.00 H new ATOM 1146 N GLU A 623 -8.639 0.485 5.603 1.00 0.00 N ATOM 1147 CA GLU A 623 -9.771 1.033 6.345 1.00 0.00 C ATOM 1148 C GLU A 623 -10.988 1.195 5.439 1.00 0.00 C ATOM 1149 O GLU A 623 -12.112 0.893 5.838 1.00 0.00 O ATOM 1150 CB GLU A 623 -9.395 2.370 6.980 1.00 0.00 C ATOM 1151 CG GLU A 623 -8.272 2.255 7.994 1.00 0.00 C ATOM 1152 CD GLU A 623 -7.935 3.576 8.651 1.00 0.00 C ATOM 1153 OE1 GLU A 623 -7.164 4.360 8.059 1.00 0.00 O ATOM 1154 OE2 GLU A 623 -8.438 3.837 9.764 1.00 0.00 O ATOM 0 H GLU A 623 -7.827 1.101 5.556 1.00 0.00 H new ATOM 0 HA GLU A 623 -10.030 0.332 7.138 1.00 0.00 H new ATOM 0 HB2 GLU A 623 -9.098 3.067 6.196 1.00 0.00 H new ATOM 0 HB3 GLU A 623 -10.273 2.794 7.467 1.00 0.00 H new ATOM 0 HG2 GLU A 623 -8.555 1.535 8.762 1.00 0.00 H new ATOM 0 HG3 GLU A 623 -7.383 1.863 7.501 1.00 0.00 H new ATOM 1161 N ARG A 624 -10.753 1.662 4.216 1.00 0.00 N ATOM 1162 CA ARG A 624 -11.809 1.763 3.212 1.00 0.00 C ATOM 1163 C ARG A 624 -12.391 0.393 2.931 1.00 0.00 C ATOM 1164 O ARG A 624 -13.606 0.227 2.827 1.00 0.00 O ATOM 1165 CB ARG A 624 -11.252 2.349 1.910 1.00 0.00 C ATOM 1166 CG ARG A 624 -12.290 2.517 0.808 1.00 0.00 C ATOM 1167 CD ARG A 624 -13.390 3.480 1.220 1.00 0.00 C ATOM 1168 NE ARG A 624 -12.872 4.821 1.489 1.00 0.00 N ATOM 1169 CZ ARG A 624 -13.333 5.628 2.445 1.00 0.00 C ATOM 1170 NH1 ARG A 624 -14.336 5.242 3.226 1.00 0.00 N ATOM 1171 NH2 ARG A 624 -12.784 6.818 2.627 1.00 0.00 N ATOM 0 H ARG A 624 -9.838 1.978 3.895 1.00 0.00 H new ATOM 0 HA ARG A 624 -12.589 2.420 3.598 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -10.805 3.320 2.124 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -10.453 1.703 1.546 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -11.805 2.883 -0.097 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -12.726 1.547 0.566 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -14.140 3.533 0.431 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -13.890 3.099 2.110 1.00 0.00 H new ATOM 0 HE ARG A 624 -12.107 5.162 0.906 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -14.759 4.323 3.096 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -14.683 5.865 3.955 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -12.008 7.118 2.036 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -13.136 7.436 3.358 1.00 0.00 H new ATOM 1185 N TRP A 625 -11.507 -0.581 2.812 1.00 0.00 N ATOM 1186 CA TRP A 625 -11.897 -1.940 2.495 1.00 0.00 C ATOM 1187 C TRP A 625 -12.819 -2.520 3.560 1.00 0.00 C ATOM 1188 O TRP A 625 -13.877 -3.068 3.248 1.00 0.00 O ATOM 1189 CB TRP A 625 -10.661 -2.823 2.329 1.00 0.00 C ATOM 1190 CG TRP A 625 -10.994 -4.265 2.128 1.00 0.00 C ATOM 1191 CD1 TRP A 625 -11.615 -4.817 1.048 1.00 0.00 C ATOM 1192 CD2 TRP A 625 -10.726 -5.337 3.035 1.00 0.00 C ATOM 1193 NE1 TRP A 625 -11.771 -6.169 1.239 1.00 0.00 N ATOM 1194 CE2 TRP A 625 -11.228 -6.511 2.449 1.00 0.00 C ATOM 1195 CE3 TRP A 625 -10.112 -5.416 4.288 1.00 0.00 C ATOM 1196 CZ2 TRP A 625 -11.137 -7.749 3.073 1.00 0.00 C ATOM 1197 CZ3 TRP A 625 -10.021 -6.646 4.907 1.00 0.00 C ATOM 1198 CH2 TRP A 625 -10.533 -7.798 4.301 1.00 0.00 C ATOM 0 H TRP A 625 -10.502 -0.452 2.932 1.00 0.00 H new ATOM 0 HA TRP A 625 -12.447 -1.916 1.554 1.00 0.00 H new ATOM 0 HB2 TRP A 625 -10.080 -2.468 1.478 1.00 0.00 H new ATOM 0 HB3 TRP A 625 -10.028 -2.722 3.211 1.00 0.00 H new ATOM 0 HD1 TRP A 625 -11.937 -4.273 0.172 1.00 0.00 H new ATOM 0 HE1 TRP A 625 -12.218 -6.813 0.586 1.00 0.00 H new ATOM 0 HE3 TRP A 625 -9.716 -4.531 4.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 625 -11.529 -8.641 2.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 625 -9.547 -6.720 5.875 1.00 0.00 H new ATOM 0 HH2 TRP A 625 -10.450 -8.746 4.812 1.00 0.00 H new ATOM 1209 N GLU A 626 -12.422 -2.392 4.814 1.00 0.00 N ATOM 1210 CA GLU A 626 -13.202 -2.943 5.910 1.00 0.00 C ATOM 1211 C GLU A 626 -14.507 -2.179 6.086 1.00 0.00 C ATOM 1212 O GLU A 626 -15.512 -2.743 6.521 1.00 0.00 O ATOM 1213 CB GLU A 626 -12.378 -2.942 7.192 1.00 0.00 C ATOM 1214 CG GLU A 626 -11.065 -3.681 7.029 1.00 0.00 C ATOM 1215 CD GLU A 626 -10.469 -4.121 8.344 1.00 0.00 C ATOM 1216 OE1 GLU A 626 -11.116 -4.918 9.059 1.00 0.00 O ATOM 1217 OE2 GLU A 626 -9.351 -3.673 8.672 1.00 0.00 O ATOM 0 H GLU A 626 -11.567 -1.913 5.099 1.00 0.00 H new ATOM 0 HA GLU A 626 -13.460 -3.975 5.672 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -12.179 -1.914 7.493 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -12.955 -3.403 7.993 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -11.222 -4.555 6.397 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -10.354 -3.037 6.511 1.00 0.00 H new ATOM 1224 N TYR A 627 -14.495 -0.899 5.735 1.00 0.00 N ATOM 1225 CA TYR A 627 -15.721 -0.118 5.680 1.00 0.00 C ATOM 1226 C TYR A 627 -16.649 -0.682 4.613 1.00 0.00 C ATOM 1227 O TYR A 627 -17.852 -0.782 4.822 1.00 0.00 O ATOM 1228 CB TYR A 627 -15.412 1.362 5.404 1.00 0.00 C ATOM 1229 CG TYR A 627 -16.559 2.135 4.776 1.00 0.00 C ATOM 1230 CD1 TYR A 627 -17.744 2.372 5.466 1.00 0.00 C ATOM 1231 CD2 TYR A 627 -16.451 2.618 3.478 1.00 0.00 C ATOM 1232 CE1 TYR A 627 -18.783 3.071 4.879 1.00 0.00 C ATOM 1233 CE2 TYR A 627 -17.484 3.317 2.888 1.00 0.00 C ATOM 1234 CZ TYR A 627 -18.647 3.540 3.591 1.00 0.00 C ATOM 1235 OH TYR A 627 -19.678 4.237 3.002 1.00 0.00 O ATOM 0 H TYR A 627 -13.652 -0.382 5.485 1.00 0.00 H new ATOM 0 HA TYR A 627 -16.220 -0.182 6.647 1.00 0.00 H new ATOM 0 HB2 TYR A 627 -15.135 1.844 6.342 1.00 0.00 H new ATOM 0 HB3 TYR A 627 -14.545 1.423 4.746 1.00 0.00 H new ATOM 0 HD1 TYR A 627 -17.854 2.004 6.476 1.00 0.00 H new ATOM 0 HD2 TYR A 627 -15.542 2.443 2.921 1.00 0.00 H new ATOM 0 HE1 TYR A 627 -19.696 3.248 5.428 1.00 0.00 H new ATOM 0 HE2 TYR A 627 -17.381 3.688 1.879 1.00 0.00 H new ATOM 0 HH TYR A 627 -19.420 4.498 2.093 1.00 0.00 H new ATOM 1245 N LEU A 628 -16.078 -1.073 3.484 1.00 0.00 N ATOM 1246 CA LEU A 628 -16.864 -1.600 2.378 1.00 0.00 C ATOM 1247 C LEU A 628 -17.423 -2.982 2.699 1.00 0.00 C ATOM 1248 O LEU A 628 -18.593 -3.247 2.445 1.00 0.00 O ATOM 1249 CB LEU A 628 -16.036 -1.636 1.095 1.00 0.00 C ATOM 1250 CG LEU A 628 -15.671 -0.262 0.540 1.00 0.00 C ATOM 1251 CD1 LEU A 628 -14.939 -0.396 -0.784 1.00 0.00 C ATOM 1252 CD2 LEU A 628 -16.923 0.587 0.386 1.00 0.00 C ATOM 0 H LEU A 628 -15.074 -1.036 3.309 1.00 0.00 H new ATOM 0 HA LEU A 628 -17.709 -0.929 2.224 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -15.118 -2.193 1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -16.591 -2.186 0.335 1.00 0.00 H new ATOM 0 HG LEU A 628 -15.001 0.234 1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -14.688 0.595 -1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -14.025 -0.971 -0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -15.578 -0.908 -1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -16.653 1.566 -0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -17.614 0.096 -0.300 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -17.402 0.709 1.358 1.00 0.00 H new ATOM 1264 N GLU A 629 -16.591 -3.859 3.257 1.00 0.00 N ATOM 1265 CA GLU A 629 -17.057 -5.174 3.693 1.00 0.00 C ATOM 1266 C GLU A 629 -18.161 -5.034 4.739 1.00 0.00 C ATOM 1267 O GLU A 629 -19.199 -5.696 4.657 1.00 0.00 O ATOM 1268 CB GLU A 629 -15.903 -6.011 4.260 1.00 0.00 C ATOM 1269 CG GLU A 629 -15.085 -6.742 3.206 1.00 0.00 C ATOM 1270 CD GLU A 629 -15.940 -7.640 2.333 1.00 0.00 C ATOM 1271 OE1 GLU A 629 -16.823 -8.341 2.871 1.00 0.00 O ATOM 1272 OE2 GLU A 629 -15.748 -7.642 1.103 1.00 0.00 O ATOM 0 H GLU A 629 -15.599 -3.685 3.417 1.00 0.00 H new ATOM 0 HA GLU A 629 -17.459 -5.689 2.820 1.00 0.00 H new ATOM 0 HB2 GLU A 629 -15.241 -5.358 4.829 1.00 0.00 H new ATOM 0 HB3 GLU A 629 -16.309 -6.742 4.960 1.00 0.00 H new ATOM 0 HG2 GLU A 629 -14.570 -6.014 2.579 1.00 0.00 H new ATOM 0 HG3 GLU A 629 -14.317 -7.340 3.696 1.00 0.00 H new ATOM 1279 N ALA A 630 -17.941 -4.152 5.709 1.00 0.00 N ATOM 1280 CA ALA A 630 -18.922 -3.901 6.757 1.00 0.00 C ATOM 1281 C ALA A 630 -20.196 -3.299 6.179 1.00 0.00 C ATOM 1282 O ALA A 630 -21.304 -3.696 6.546 1.00 0.00 O ATOM 1283 CB ALA A 630 -18.343 -2.974 7.813 1.00 0.00 C ATOM 0 H ALA A 630 -17.089 -3.598 5.790 1.00 0.00 H new ATOM 0 HA ALA A 630 -19.171 -4.856 7.220 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -19.088 -2.796 8.589 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -17.460 -3.434 8.256 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -18.066 -2.026 7.352 1.00 0.00 H new ATOM 1289 N LEU A 631 -20.023 -2.341 5.276 1.00 0.00 N ATOM 1290 CA LEU A 631 -21.139 -1.659 4.639 1.00 0.00 C ATOM 1291 C LEU A 631 -21.961 -2.646 3.825 1.00 0.00 C ATOM 1292 O LEU A 631 -23.185 -2.697 3.936 1.00 0.00 O ATOM 1293 CB LEU A 631 -20.620 -0.556 3.714 1.00 0.00 C ATOM 1294 CG LEU A 631 -21.627 0.536 3.369 1.00 0.00 C ATOM 1295 CD1 LEU A 631 -21.900 1.411 4.583 1.00 0.00 C ATOM 1296 CD2 LEU A 631 -21.127 1.364 2.198 1.00 0.00 C ATOM 0 H LEU A 631 -19.107 -2.017 4.967 1.00 0.00 H new ATOM 0 HA LEU A 631 -21.765 -1.220 5.416 1.00 0.00 H new ATOM 0 HB2 LEU A 631 -19.752 -0.092 4.182 1.00 0.00 H new ATOM 0 HB3 LEU A 631 -20.275 -1.015 2.787 1.00 0.00 H new ATOM 0 HG LEU A 631 -22.566 0.067 3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 631 -22.621 2.185 4.319 1.00 0.00 H new ATOM 0 HD12 LEU A 631 -22.304 0.799 5.389 1.00 0.00 H new ATOM 0 HD13 LEU A 631 -20.971 1.877 4.912 1.00 0.00 H new ATOM 0 HD21 LEU A 631 -21.856 2.139 1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 631 -20.176 1.828 2.460 1.00 0.00 H new ATOM 0 HD23 LEU A 631 -20.990 0.720 1.329 1.00 0.00 H new ATOM 1308 N LYS A 632 -21.262 -3.434 3.017 1.00 0.00 N ATOM 1309 CA LYS A 632 -21.889 -4.417 2.149 1.00 0.00 C ATOM 1310 C LYS A 632 -22.715 -5.413 2.959 1.00 0.00 C ATOM 1311 O LYS A 632 -23.776 -5.861 2.520 1.00 0.00 O ATOM 1312 CB LYS A 632 -20.810 -5.146 1.343 1.00 0.00 C ATOM 1313 CG LYS A 632 -21.306 -6.349 0.556 1.00 0.00 C ATOM 1314 CD LYS A 632 -20.227 -6.877 -0.380 1.00 0.00 C ATOM 1315 CE LYS A 632 -18.936 -7.202 0.359 1.00 0.00 C ATOM 1316 NZ LYS A 632 -19.042 -8.426 1.193 1.00 0.00 N ATOM 0 H LYS A 632 -20.245 -3.408 2.947 1.00 0.00 H new ATOM 0 HA LYS A 632 -22.565 -3.903 1.466 1.00 0.00 H new ATOM 0 HB2 LYS A 632 -20.354 -4.439 0.650 1.00 0.00 H new ATOM 0 HB3 LYS A 632 -20.026 -5.474 2.025 1.00 0.00 H new ATOM 0 HG2 LYS A 632 -21.611 -7.137 1.245 1.00 0.00 H new ATOM 0 HG3 LYS A 632 -22.188 -6.071 -0.021 1.00 0.00 H new ATOM 0 HD2 LYS A 632 -20.591 -7.773 -0.884 1.00 0.00 H new ATOM 0 HD3 LYS A 632 -20.025 -6.136 -1.154 1.00 0.00 H new ATOM 0 HE2 LYS A 632 -18.131 -7.330 -0.365 1.00 0.00 H new ATOM 0 HE3 LYS A 632 -18.664 -6.358 0.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 632 -18.294 -8.420 1.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 632 -19.972 -8.450 1.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 632 -18.935 -9.267 0.591 1.00 0.00 H new