USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 630 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 88 SER OG : rot 160:sc= 0 USER MOD Set 1.2: A 90 MET CE :methyl -146:sc= -0.161 (180deg=-1.48) USER MOD Set 2.1: A 74 THR OG1 : rot -14:sc= 0.12 USER MOD Set 2.2: A 75 ASN : amide:sc= -0.066 K(o=0.054,f=-0.48) USER MOD Set 3.1: A 62 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 65 LYS NZ :NH3+ -177:sc= -0.0293 (180deg=-0.0471) USER MOD Set 4.1: A 48 CYS SG : rot 180:sc= 0 USER MOD Set 4.2: A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 32 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 36 GLN : amide:sc= -0.207 K(o=-0.21,f=-2!) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.0217 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0659 USER MOD Single : A 28 CYS SG : rot 130:sc= -0.812 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.382) USER MOD Single : A 49 HIS : no HD1:sc= -5.9! C(o=-5.9!,f=-9.3!) USER MOD Single : A 52 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.07) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= -4.66! C(o=-4.7!,f=-11!) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 80:sc= 0.247 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc=-0.000112 X(o=-0.00011,f=0) USER MOD Single : A 89 GLN : amide:sc= -0.372 X(o=-0.37,f=-0.48) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc= -0.0727 X(o=-0.073,f=-0.073) USER MOD ----------------------------------------------------------------- ATOM 269 N ASP A 21 -4.875 4.465 -8.074 1.00 0.00 N ATOM 270 CA ASP A 21 -5.961 3.636 -7.565 1.00 0.00 C ATOM 271 C ASP A 21 -5.426 2.542 -6.647 1.00 0.00 C ATOM 272 O ASP A 21 -4.435 1.882 -6.963 1.00 0.00 O ATOM 273 CB ASP A 21 -6.740 3.012 -8.724 1.00 0.00 C ATOM 274 CG ASP A 21 -7.784 3.952 -9.294 1.00 0.00 C ATOM 275 OD1 ASP A 21 -7.672 5.174 -9.062 1.00 0.00 O ATOM 276 OD2 ASP A 21 -8.712 3.466 -9.972 1.00 0.00 O ATOM 0 HA ASP A 21 -6.631 4.273 -6.988 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.044 2.726 -9.513 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.226 2.099 -8.381 1.00 0.00 H new ATOM 281 N TYR A 22 -6.086 2.355 -5.510 1.00 0.00 N ATOM 282 CA TYR A 22 -5.675 1.343 -4.545 1.00 0.00 C ATOM 283 C TYR A 22 -5.687 -0.047 -5.174 1.00 0.00 C ATOM 284 O TYR A 22 -4.832 -0.882 -4.878 1.00 0.00 O ATOM 285 CB TYR A 22 -6.594 1.370 -3.323 1.00 0.00 C ATOM 286 CG TYR A 22 -6.284 2.490 -2.356 1.00 0.00 C ATOM 287 CD1 TYR A 22 -6.137 3.798 -2.801 1.00 0.00 C ATOM 288 CD2 TYR A 22 -6.139 2.241 -0.997 1.00 0.00 C ATOM 289 CE1 TYR A 22 -5.853 4.824 -1.922 1.00 0.00 C ATOM 290 CE2 TYR A 22 -5.856 3.261 -0.109 1.00 0.00 C ATOM 291 CZ TYR A 22 -5.713 4.551 -0.577 1.00 0.00 C ATOM 292 OH TYR A 22 -5.432 5.571 0.303 1.00 0.00 O ATOM 0 H TYR A 22 -6.908 2.891 -5.234 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.657 1.571 -4.230 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -7.627 1.466 -3.658 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -6.516 0.417 -2.799 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -6.247 4.016 -3.853 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.249 1.232 -0.628 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -5.741 5.835 -2.285 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.747 3.050 0.945 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.366 5.210 1.212 1.00 0.00 H new ATOM 302 N TYR A 23 -6.662 -0.287 -6.043 1.00 0.00 N ATOM 303 CA TYR A 23 -6.788 -1.576 -6.714 1.00 0.00 C ATOM 304 C TYR A 23 -5.579 -1.848 -7.603 1.00 0.00 C ATOM 305 O TYR A 23 -5.192 -2.998 -7.812 1.00 0.00 O ATOM 306 CB TYR A 23 -8.069 -1.616 -7.549 1.00 0.00 C ATOM 307 CG TYR A 23 -9.294 -2.018 -6.759 1.00 0.00 C ATOM 308 CD1 TYR A 23 -9.545 -3.351 -6.459 1.00 0.00 C ATOM 309 CD2 TYR A 23 -10.202 -1.064 -6.315 1.00 0.00 C ATOM 310 CE1 TYR A 23 -10.664 -3.722 -5.738 1.00 0.00 C ATOM 311 CE2 TYR A 23 -11.322 -1.426 -5.593 1.00 0.00 C ATOM 312 CZ TYR A 23 -11.549 -2.756 -5.307 1.00 0.00 C ATOM 313 OH TYR A 23 -12.665 -3.121 -4.589 1.00 0.00 O ATOM 0 H TYR A 23 -7.377 0.394 -6.300 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.836 -2.352 -5.950 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.237 -0.633 -7.989 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.933 -2.315 -8.374 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -8.854 -4.110 -6.795 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -10.029 -0.022 -6.539 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -10.845 -4.763 -5.513 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -12.017 -0.672 -5.254 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.183 -2.321 -4.361 1.00 0.00 H new ATOM 323 N THR A 24 -4.983 -0.779 -8.124 1.00 0.00 N ATOM 324 CA THR A 24 -3.818 -0.901 -8.992 1.00 0.00 C ATOM 325 C THR A 24 -2.589 -1.337 -8.203 1.00 0.00 C ATOM 326 O THR A 24 -1.846 -2.222 -8.631 1.00 0.00 O ATOM 327 CB THR A 24 -3.510 0.428 -9.707 1.00 0.00 C ATOM 328 OG1 THR A 24 -4.662 0.874 -10.431 1.00 0.00 O ATOM 329 CG2 THR A 24 -2.335 0.269 -10.661 1.00 0.00 C ATOM 0 H THR A 24 -5.288 0.180 -7.960 1.00 0.00 H new ATOM 0 HA THR A 24 -4.056 -1.660 -9.737 1.00 0.00 H new ATOM 0 HB THR A 24 -3.247 1.169 -8.952 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.458 1.720 -10.881 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.136 1.220 -11.155 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.452 -0.042 -10.102 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.574 -0.485 -11.410 1.00 0.00 H new ATOM 337 N LEU A 25 -2.380 -0.713 -7.049 1.00 0.00 N ATOM 338 CA LEU A 25 -1.240 -1.039 -6.199 1.00 0.00 C ATOM 339 C LEU A 25 -1.045 -2.548 -6.103 1.00 0.00 C ATOM 340 O LEU A 25 0.077 -3.048 -6.196 1.00 0.00 O ATOM 341 CB LEU A 25 -1.435 -0.448 -4.802 1.00 0.00 C ATOM 342 CG LEU A 25 -1.896 1.009 -4.747 1.00 0.00 C ATOM 343 CD1 LEU A 25 -1.909 1.512 -3.312 1.00 0.00 C ATOM 344 CD2 LEU A 25 -1.002 1.884 -5.613 1.00 0.00 C ATOM 0 H LEU A 25 -2.985 0.021 -6.680 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.347 -0.605 -6.649 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.164 -1.059 -4.270 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.493 -0.531 -4.260 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.912 1.063 -5.138 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.240 2.550 -3.293 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.592 0.903 -2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.905 1.443 -2.893 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.345 2.917 -5.562 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.025 1.824 -5.253 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.045 1.538 -6.646 1.00 0.00 H new ATOM 356 N LEU A 26 -2.145 -3.270 -5.918 1.00 0.00 N ATOM 357 CA LEU A 26 -2.096 -4.724 -5.811 1.00 0.00 C ATOM 358 C LEU A 26 -2.595 -5.381 -7.094 1.00 0.00 C ATOM 359 O LEU A 26 -2.653 -6.606 -7.195 1.00 0.00 O ATOM 360 CB LEU A 26 -2.936 -5.197 -4.623 1.00 0.00 C ATOM 361 CG LEU A 26 -2.734 -4.434 -3.313 1.00 0.00 C ATOM 362 CD1 LEU A 26 -3.697 -4.937 -2.249 1.00 0.00 C ATOM 363 CD2 LEU A 26 -1.295 -4.563 -2.837 1.00 0.00 C ATOM 0 H LEU A 26 -3.081 -2.873 -5.839 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.058 -5.017 -5.654 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.988 -5.133 -4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.717 -6.250 -4.445 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.942 -3.379 -3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.539 -4.383 -1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.723 -4.792 -2.588 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.521 -5.998 -2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.170 -4.014 -1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.059 -5.614 -2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.624 -4.153 -3.592 1.00 0.00 H new ATOM 375 N GLY A 27 -2.953 -4.557 -8.075 1.00 0.00 N ATOM 376 CA GLY A 27 -3.441 -5.077 -9.339 1.00 0.00 C ATOM 377 C GLY A 27 -4.573 -6.068 -9.161 1.00 0.00 C ATOM 378 O GLY A 27 -4.644 -7.074 -9.868 1.00 0.00 O ATOM 0 H GLY A 27 -2.914 -3.539 -8.017 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.782 -4.249 -9.961 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.621 -5.559 -9.871 1.00 0.00 H new ATOM 382 N CYS A 28 -5.461 -5.785 -8.214 1.00 0.00 N ATOM 383 CA CYS A 28 -6.595 -6.662 -7.943 1.00 0.00 C ATOM 384 C CYS A 28 -7.913 -5.953 -8.240 1.00 0.00 C ATOM 385 O CYS A 28 -7.925 -4.801 -8.675 1.00 0.00 O ATOM 386 CB CYS A 28 -6.570 -7.128 -6.487 1.00 0.00 C ATOM 387 SG CYS A 28 -7.360 -5.984 -5.331 1.00 0.00 S ATOM 0 H CYS A 28 -5.418 -4.956 -7.621 1.00 0.00 H new ATOM 0 HA CYS A 28 -6.515 -7.531 -8.596 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.065 -8.097 -6.418 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -5.534 -7.277 -6.182 1.00 0.00 H new ATOM 0 HG CYS A 28 -8.203 -6.634 -4.585 1.00 0.00 H new ATOM 393 N ASP A 29 -9.019 -6.649 -8.003 1.00 0.00 N ATOM 394 CA ASP A 29 -10.343 -6.087 -8.246 1.00 0.00 C ATOM 395 C ASP A 29 -11.393 -6.777 -7.381 1.00 0.00 C ATOM 396 O ASP A 29 -11.146 -7.846 -6.823 1.00 0.00 O ATOM 397 CB ASP A 29 -10.713 -6.220 -9.724 1.00 0.00 C ATOM 398 CG ASP A 29 -10.274 -7.545 -10.314 1.00 0.00 C ATOM 399 OD1 ASP A 29 -10.316 -8.562 -9.589 1.00 0.00 O ATOM 400 OD2 ASP A 29 -9.889 -7.567 -11.501 1.00 0.00 O ATOM 0 H ASP A 29 -9.026 -7.603 -7.643 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.317 -5.030 -7.980 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -11.792 -6.116 -9.836 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.254 -5.406 -10.285 1.00 0.00 H new ATOM 405 N GLU A 30 -12.564 -6.158 -7.274 1.00 0.00 N ATOM 406 CA GLU A 30 -13.650 -6.712 -6.475 1.00 0.00 C ATOM 407 C GLU A 30 -13.754 -8.222 -6.670 1.00 0.00 C ATOM 408 O GLU A 30 -14.061 -8.961 -5.734 1.00 0.00 O ATOM 409 CB GLU A 30 -14.977 -6.047 -6.846 1.00 0.00 C ATOM 410 CG GLU A 30 -15.381 -6.261 -8.295 1.00 0.00 C ATOM 411 CD GLU A 30 -16.539 -5.376 -8.715 1.00 0.00 C ATOM 412 OE1 GLU A 30 -16.361 -4.141 -8.750 1.00 0.00 O ATOM 413 OE2 GLU A 30 -17.624 -5.921 -9.009 1.00 0.00 O ATOM 0 H GLU A 30 -12.785 -5.273 -7.730 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.432 -6.512 -5.426 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.762 -6.436 -6.198 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.904 -4.977 -6.652 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.525 -6.063 -8.940 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.655 -7.306 -8.441 1.00 0.00 H new ATOM 420 N LEU A 31 -13.496 -8.673 -7.893 1.00 0.00 N ATOM 421 CA LEU A 31 -13.560 -10.095 -8.213 1.00 0.00 C ATOM 422 C LEU A 31 -12.673 -10.905 -7.274 1.00 0.00 C ATOM 423 O LEU A 31 -13.100 -11.919 -6.720 1.00 0.00 O ATOM 424 CB LEU A 31 -13.136 -10.331 -9.664 1.00 0.00 C ATOM 425 CG LEU A 31 -14.230 -10.166 -10.719 1.00 0.00 C ATOM 426 CD1 LEU A 31 -13.635 -10.214 -12.117 1.00 0.00 C ATOM 427 CD2 LEU A 31 -15.296 -11.239 -10.553 1.00 0.00 C ATOM 0 H LEU A 31 -13.241 -8.075 -8.679 1.00 0.00 H new ATOM 0 HA LEU A 31 -14.591 -10.425 -8.084 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -12.324 -9.643 -9.901 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -12.732 -11.340 -9.744 1.00 0.00 H new ATOM 0 HG LEU A 31 -14.699 -9.192 -10.580 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.429 -10.095 -12.855 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -12.909 -9.409 -12.231 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -13.140 -11.173 -12.269 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -16.067 -11.107 -11.312 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -14.842 -12.224 -10.665 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -15.744 -11.157 -9.563 1.00 0.00 H new ATOM 439 N SER A 32 -11.437 -10.450 -7.096 1.00 0.00 N ATOM 440 CA SER A 32 -10.488 -11.134 -6.224 1.00 0.00 C ATOM 441 C SER A 32 -10.932 -11.050 -4.767 1.00 0.00 C ATOM 442 O SER A 32 -11.719 -10.179 -4.395 1.00 0.00 O ATOM 443 CB SER A 32 -9.092 -10.528 -6.380 1.00 0.00 C ATOM 444 OG SER A 32 -8.537 -10.844 -7.645 1.00 0.00 O ATOM 0 H SER A 32 -11.069 -9.611 -7.544 1.00 0.00 H new ATOM 0 HA SER A 32 -10.455 -12.184 -6.516 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.147 -9.446 -6.264 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.440 -10.901 -5.590 1.00 0.00 H new ATOM 0 HG SER A 32 -7.646 -10.444 -7.720 1.00 0.00 H new ATOM 450 N SER A 33 -10.422 -11.962 -3.946 1.00 0.00 N ATOM 451 CA SER A 33 -10.767 -11.994 -2.530 1.00 0.00 C ATOM 452 C SER A 33 -9.547 -11.691 -1.665 1.00 0.00 C ATOM 453 O SER A 33 -8.407 -11.829 -2.110 1.00 0.00 O ATOM 454 CB SER A 33 -11.344 -13.361 -2.155 1.00 0.00 C ATOM 455 OG SER A 33 -12.708 -13.457 -2.527 1.00 0.00 O ATOM 0 H SER A 33 -9.768 -12.689 -4.237 1.00 0.00 H new ATOM 0 HA SER A 33 -11.519 -11.226 -2.348 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.773 -14.148 -2.648 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.244 -13.519 -1.081 1.00 0.00 H new ATOM 0 HG SER A 33 -13.053 -14.340 -2.279 1.00 0.00 H new ATOM 461 N VAL A 34 -9.795 -11.276 -0.427 1.00 0.00 N ATOM 462 CA VAL A 34 -8.718 -10.953 0.501 1.00 0.00 C ATOM 463 C VAL A 34 -7.655 -12.046 0.510 1.00 0.00 C ATOM 464 O VAL A 34 -6.479 -11.779 0.758 1.00 0.00 O ATOM 465 CB VAL A 34 -9.251 -10.759 1.933 1.00 0.00 C ATOM 466 CG1 VAL A 34 -9.984 -12.006 2.404 1.00 0.00 C ATOM 467 CG2 VAL A 34 -8.114 -10.409 2.881 1.00 0.00 C ATOM 0 H VAL A 34 -10.732 -11.156 -0.043 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.273 -10.019 0.157 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.959 -9.930 1.929 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -10.353 -11.850 3.418 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -10.824 -12.207 1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.301 -12.855 2.393 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.508 -10.275 3.888 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.380 -11.215 2.882 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.638 -9.485 2.552 1.00 0.00 H new ATOM 477 N GLU A 35 -8.076 -13.277 0.238 1.00 0.00 N ATOM 478 CA GLU A 35 -7.159 -14.410 0.215 1.00 0.00 C ATOM 479 C GLU A 35 -6.170 -14.287 -0.940 1.00 0.00 C ATOM 480 O GLU A 35 -4.990 -14.602 -0.796 1.00 0.00 O ATOM 481 CB GLU A 35 -7.938 -15.722 0.097 1.00 0.00 C ATOM 482 CG GLU A 35 -8.497 -16.219 1.419 1.00 0.00 C ATOM 483 CD GLU A 35 -9.199 -15.127 2.203 1.00 0.00 C ATOM 484 OE1 GLU A 35 -8.504 -14.362 2.905 1.00 0.00 O ATOM 485 OE2 GLU A 35 -10.441 -15.037 2.115 1.00 0.00 O ATOM 0 H GLU A 35 -9.046 -13.515 0.031 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.599 -14.411 1.150 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.759 -15.585 -0.607 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.284 -16.487 -0.322 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.197 -17.033 1.230 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.686 -16.629 2.021 1.00 0.00 H new ATOM 492 N GLN A 36 -6.663 -13.827 -2.086 1.00 0.00 N ATOM 493 CA GLN A 36 -5.823 -13.664 -3.267 1.00 0.00 C ATOM 494 C GLN A 36 -5.060 -12.344 -3.214 1.00 0.00 C ATOM 495 O GLN A 36 -3.893 -12.275 -3.601 1.00 0.00 O ATOM 496 CB GLN A 36 -6.674 -13.723 -4.536 1.00 0.00 C ATOM 497 CG GLN A 36 -5.923 -14.250 -5.749 1.00 0.00 C ATOM 498 CD GLN A 36 -4.981 -13.222 -6.343 1.00 0.00 C ATOM 499 OE1 GLN A 36 -3.761 -13.349 -6.241 1.00 0.00 O ATOM 500 NE2 GLN A 36 -5.544 -12.195 -6.969 1.00 0.00 N ATOM 0 H GLN A 36 -7.638 -13.561 -2.221 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.101 -14.480 -3.284 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.541 -14.357 -4.353 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.050 -12.724 -4.758 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.355 -15.136 -5.464 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.640 -14.562 -6.508 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.560 -12.130 -7.030 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -4.960 -11.472 -7.389 1.00 0.00 H new ATOM 509 N ILE A 37 -5.726 -11.300 -2.733 1.00 0.00 N ATOM 510 CA ILE A 37 -5.110 -9.983 -2.628 1.00 0.00 C ATOM 511 C ILE A 37 -3.753 -10.065 -1.939 1.00 0.00 C ATOM 512 O ILE A 37 -2.736 -9.645 -2.493 1.00 0.00 O ATOM 513 CB ILE A 37 -6.009 -9.001 -1.854 1.00 0.00 C ATOM 514 CG1 ILE A 37 -7.288 -8.716 -2.643 1.00 0.00 C ATOM 515 CG2 ILE A 37 -5.258 -7.709 -1.568 1.00 0.00 C ATOM 516 CD1 ILE A 37 -8.321 -7.937 -1.859 1.00 0.00 C ATOM 0 H ILE A 37 -6.693 -11.340 -2.410 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.976 -9.615 -3.645 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.285 -9.457 -0.903 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -7.033 -8.159 -3.545 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.725 -9.661 -2.965 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.906 -7.025 -1.020 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.373 -7.927 -0.970 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.956 -7.248 -2.508 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.201 -7.771 -2.481 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.605 -8.501 -0.971 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.902 -6.976 -1.560 1.00 0.00 H new ATOM 528 N LEU A 38 -3.743 -10.609 -0.727 1.00 0.00 N ATOM 529 CA LEU A 38 -2.509 -10.748 0.039 1.00 0.00 C ATOM 530 C LEU A 38 -1.378 -11.272 -0.840 1.00 0.00 C ATOM 531 O LEU A 38 -0.363 -10.602 -1.028 1.00 0.00 O ATOM 532 CB LEU A 38 -2.726 -11.689 1.226 1.00 0.00 C ATOM 533 CG LEU A 38 -3.203 -11.034 2.523 1.00 0.00 C ATOM 534 CD1 LEU A 38 -3.926 -12.047 3.397 1.00 0.00 C ATOM 535 CD2 LEU A 38 -2.030 -10.420 3.273 1.00 0.00 C ATOM 0 H LEU A 38 -4.575 -10.961 -0.254 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.228 -9.763 0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.454 -12.446 0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.789 -12.209 1.428 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.903 -10.238 2.270 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.258 -11.563 4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.790 -12.440 2.861 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.249 -12.865 3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.388 -9.958 4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.306 -11.198 3.515 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.555 -9.663 2.649 1.00 0.00 H new ATOM 547 N ALA A 39 -1.562 -12.473 -1.378 1.00 0.00 N ATOM 548 CA ALA A 39 -0.559 -13.086 -2.240 1.00 0.00 C ATOM 549 C ALA A 39 0.116 -12.042 -3.124 1.00 0.00 C ATOM 550 O ALA A 39 1.340 -11.916 -3.126 1.00 0.00 O ATOM 551 CB ALA A 39 -1.192 -14.174 -3.095 1.00 0.00 C ATOM 0 H ALA A 39 -2.397 -13.041 -1.232 1.00 0.00 H new ATOM 0 HA ALA A 39 0.204 -13.536 -1.605 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.432 -14.623 -3.734 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.622 -14.940 -2.450 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.976 -13.739 -3.715 1.00 0.00 H new ATOM 557 N GLU A 40 -0.690 -11.297 -3.873 1.00 0.00 N ATOM 558 CA GLU A 40 -0.169 -10.265 -4.762 1.00 0.00 C ATOM 559 C GLU A 40 0.647 -9.237 -3.983 1.00 0.00 C ATOM 560 O GLU A 40 1.699 -8.788 -4.440 1.00 0.00 O ATOM 561 CB GLU A 40 -1.315 -9.569 -5.500 1.00 0.00 C ATOM 562 CG GLU A 40 -1.845 -10.359 -6.685 1.00 0.00 C ATOM 563 CD GLU A 40 -0.879 -10.376 -7.854 1.00 0.00 C ATOM 564 OE1 GLU A 40 0.134 -11.102 -7.775 1.00 0.00 O ATOM 565 OE2 GLU A 40 -1.136 -9.663 -8.846 1.00 0.00 O ATOM 0 H GLU A 40 -1.706 -11.388 -3.882 1.00 0.00 H new ATOM 0 HA GLU A 40 0.484 -10.746 -5.491 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.131 -9.389 -4.800 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.973 -8.594 -5.848 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.049 -11.383 -6.372 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.793 -9.930 -7.008 1.00 0.00 H new ATOM 572 N PHE A 41 0.155 -8.869 -2.805 1.00 0.00 N ATOM 573 CA PHE A 41 0.836 -7.893 -1.963 1.00 0.00 C ATOM 574 C PHE A 41 2.217 -8.398 -1.554 1.00 0.00 C ATOM 575 O PHE A 41 3.152 -7.616 -1.382 1.00 0.00 O ATOM 576 CB PHE A 41 0.001 -7.592 -0.717 1.00 0.00 C ATOM 577 CG PHE A 41 0.808 -7.050 0.429 1.00 0.00 C ATOM 578 CD1 PHE A 41 1.230 -5.730 0.433 1.00 0.00 C ATOM 579 CD2 PHE A 41 1.144 -7.861 1.501 1.00 0.00 C ATOM 580 CE1 PHE A 41 1.971 -5.228 1.485 1.00 0.00 C ATOM 581 CE2 PHE A 41 1.886 -7.364 2.556 1.00 0.00 C ATOM 582 CZ PHE A 41 2.301 -6.046 2.548 1.00 0.00 C ATOM 0 H PHE A 41 -0.713 -9.232 -2.412 1.00 0.00 H new ATOM 0 HA PHE A 41 0.959 -6.976 -2.539 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.777 -6.873 -0.975 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.502 -8.505 -0.397 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.976 -5.086 -0.396 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.823 -8.892 1.512 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.292 -4.197 1.476 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.141 -8.006 3.386 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.882 -5.656 3.371 1.00 0.00 H new ATOM 592 N LYS A 42 2.337 -9.712 -1.399 1.00 0.00 N ATOM 593 CA LYS A 42 3.603 -10.325 -1.011 1.00 0.00 C ATOM 594 C LYS A 42 4.599 -10.293 -2.165 1.00 0.00 C ATOM 595 O LYS A 42 5.717 -9.798 -2.020 1.00 0.00 O ATOM 596 CB LYS A 42 3.376 -11.769 -0.558 1.00 0.00 C ATOM 597 CG LYS A 42 2.359 -11.903 0.561 1.00 0.00 C ATOM 598 CD LYS A 42 2.521 -13.217 1.307 1.00 0.00 C ATOM 599 CE LYS A 42 1.680 -14.320 0.682 1.00 0.00 C ATOM 600 NZ LYS A 42 2.369 -14.953 -0.477 1.00 0.00 N ATOM 0 H LYS A 42 1.573 -10.374 -1.536 1.00 0.00 H new ATOM 0 HA LYS A 42 4.017 -9.752 -0.182 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.045 -12.361 -1.411 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.325 -12.191 -0.227 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.471 -11.072 1.257 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.352 -11.839 0.148 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.570 -13.512 1.303 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.231 -13.083 2.349 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.460 -15.079 1.433 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.725 -13.908 0.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.974 -15.901 -0.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.229 -14.369 -1.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.386 -15.032 -0.275 1.00 0.00 H new ATOM 614 N VAL A 43 4.187 -10.822 -3.312 1.00 0.00 N ATOM 615 CA VAL A 43 5.042 -10.851 -4.492 1.00 0.00 C ATOM 616 C VAL A 43 5.344 -9.441 -4.988 1.00 0.00 C ATOM 617 O VAL A 43 6.503 -9.078 -5.188 1.00 0.00 O ATOM 618 CB VAL A 43 4.396 -11.657 -5.635 1.00 0.00 C ATOM 619 CG1 VAL A 43 4.279 -13.125 -5.253 1.00 0.00 C ATOM 620 CG2 VAL A 43 3.034 -11.080 -5.989 1.00 0.00 C ATOM 0 H VAL A 43 3.265 -11.237 -3.449 1.00 0.00 H new ATOM 0 HA VAL A 43 5.972 -11.336 -4.195 1.00 0.00 H new ATOM 0 HB VAL A 43 5.036 -11.585 -6.515 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.821 -13.679 -6.072 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.271 -13.529 -5.052 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.661 -13.220 -4.360 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.592 -11.661 -6.798 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.383 -11.121 -5.115 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.149 -10.044 -6.308 1.00 0.00 H new ATOM 630 N ARG A 44 4.294 -8.651 -5.182 1.00 0.00 N ATOM 631 CA ARG A 44 4.446 -7.280 -5.655 1.00 0.00 C ATOM 632 C ARG A 44 5.359 -6.484 -4.727 1.00 0.00 C ATOM 633 O ARG A 44 6.210 -5.720 -5.183 1.00 0.00 O ATOM 634 CB ARG A 44 3.081 -6.597 -5.754 1.00 0.00 C ATOM 635 CG ARG A 44 2.212 -7.134 -6.879 1.00 0.00 C ATOM 636 CD ARG A 44 0.970 -6.280 -7.080 1.00 0.00 C ATOM 637 NE ARG A 44 1.200 -5.195 -8.031 1.00 0.00 N ATOM 638 CZ ARG A 44 1.366 -5.383 -9.335 1.00 0.00 C ATOM 639 NH1 ARG A 44 1.327 -6.608 -9.842 1.00 0.00 N ATOM 640 NH2 ARG A 44 1.571 -4.345 -10.136 1.00 0.00 N ATOM 0 H ARG A 44 3.328 -8.936 -5.019 1.00 0.00 H new ATOM 0 HA ARG A 44 4.901 -7.312 -6.645 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.553 -6.720 -4.808 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.229 -5.527 -5.900 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.789 -7.163 -7.804 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.918 -8.159 -6.655 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.153 -6.907 -7.436 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.658 -5.863 -6.123 1.00 0.00 H new ATOM 0 HE ARG A 44 1.235 -4.240 -7.674 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.169 -7.409 -9.230 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.455 -6.750 -10.844 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.601 -3.401 -9.750 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.698 -4.491 -11.137 1.00 0.00 H new ATOM 654 N ALA A 45 5.176 -6.668 -3.424 1.00 0.00 N ATOM 655 CA ALA A 45 5.983 -5.968 -2.432 1.00 0.00 C ATOM 656 C ALA A 45 7.438 -6.420 -2.492 1.00 0.00 C ATOM 657 O ALA A 45 8.357 -5.607 -2.373 1.00 0.00 O ATOM 658 CB ALA A 45 5.416 -6.190 -1.038 1.00 0.00 C ATOM 0 H ALA A 45 4.476 -7.296 -3.030 1.00 0.00 H new ATOM 0 HA ALA A 45 5.951 -4.902 -2.659 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.029 -5.662 -0.308 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.395 -5.812 -0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.418 -7.256 -0.810 1.00 0.00 H new ATOM 664 N LEU A 46 7.642 -7.719 -2.675 1.00 0.00 N ATOM 665 CA LEU A 46 8.987 -8.280 -2.749 1.00 0.00 C ATOM 666 C LEU A 46 9.705 -7.808 -4.010 1.00 0.00 C ATOM 667 O LEU A 46 10.798 -7.247 -3.939 1.00 0.00 O ATOM 668 CB LEU A 46 8.926 -9.808 -2.725 1.00 0.00 C ATOM 669 CG LEU A 46 8.662 -10.448 -1.362 1.00 0.00 C ATOM 670 CD1 LEU A 46 8.210 -11.891 -1.528 1.00 0.00 C ATOM 671 CD2 LEU A 46 9.905 -10.374 -0.488 1.00 0.00 C ATOM 0 H LEU A 46 6.893 -8.405 -2.775 1.00 0.00 H new ATOM 0 HA LEU A 46 9.548 -7.932 -1.882 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.145 -10.131 -3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.870 -10.195 -3.109 1.00 0.00 H new ATOM 0 HG LEU A 46 7.863 -9.893 -0.870 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.027 -12.330 -0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.292 -11.920 -2.115 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.987 -12.459 -2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.698 -10.834 0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.724 -10.904 -0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.184 -9.331 -0.340 1.00 0.00 H new ATOM 683 N GLU A 47 9.081 -8.038 -5.161 1.00 0.00 N ATOM 684 CA GLU A 47 9.661 -7.635 -6.437 1.00 0.00 C ATOM 685 C GLU A 47 10.077 -6.167 -6.405 1.00 0.00 C ATOM 686 O GLU A 47 11.020 -5.764 -7.086 1.00 0.00 O ATOM 687 CB GLU A 47 8.663 -7.869 -7.572 1.00 0.00 C ATOM 688 CG GLU A 47 8.555 -9.324 -7.997 1.00 0.00 C ATOM 689 CD GLU A 47 9.695 -9.755 -8.899 1.00 0.00 C ATOM 690 OE1 GLU A 47 10.160 -8.921 -9.705 1.00 0.00 O ATOM 691 OE2 GLU A 47 10.122 -10.924 -8.800 1.00 0.00 O ATOM 0 H GLU A 47 8.175 -8.501 -5.236 1.00 0.00 H new ATOM 0 HA GLU A 47 10.549 -8.243 -6.612 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.680 -7.517 -7.259 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.957 -7.269 -8.433 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.539 -9.957 -7.110 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.609 -9.478 -8.515 1.00 0.00 H new ATOM 698 N CYS A 48 9.366 -5.374 -5.612 1.00 0.00 N ATOM 699 CA CYS A 48 9.660 -3.950 -5.492 1.00 0.00 C ATOM 700 C CYS A 48 9.919 -3.568 -4.038 1.00 0.00 C ATOM 701 O CYS A 48 9.491 -2.509 -3.578 1.00 0.00 O ATOM 702 CB CYS A 48 8.503 -3.121 -6.051 1.00 0.00 C ATOM 703 SG CYS A 48 8.467 -3.028 -7.857 1.00 0.00 S ATOM 0 H CYS A 48 8.582 -5.692 -5.042 1.00 0.00 H new ATOM 0 HA CYS A 48 10.561 -3.740 -6.069 1.00 0.00 H new ATOM 0 HB2 CYS A 48 7.563 -3.547 -5.701 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.566 -2.111 -5.647 1.00 0.00 H new ATOM 0 HG CYS A 48 7.452 -2.308 -8.234 1.00 0.00 H new ATOM 709 N HIS A 49 10.620 -4.439 -3.319 1.00 0.00 N ATOM 710 CA HIS A 49 10.934 -4.194 -1.916 1.00 0.00 C ATOM 711 C HIS A 49 12.090 -3.207 -1.783 1.00 0.00 C ATOM 712 O HIS A 49 13.090 -3.285 -2.497 1.00 0.00 O ATOM 713 CB HIS A 49 11.286 -5.506 -1.213 1.00 0.00 C ATOM 714 CG HIS A 49 11.076 -5.466 0.269 1.00 0.00 C ATOM 715 ND1 HIS A 49 11.908 -4.782 1.129 1.00 0.00 N ATOM 716 CD2 HIS A 49 10.119 -6.030 1.043 1.00 0.00 C ATOM 717 CE1 HIS A 49 11.474 -4.928 2.368 1.00 0.00 C ATOM 718 NE2 HIS A 49 10.389 -5.681 2.343 1.00 0.00 N ATOM 0 H HIS A 49 10.981 -5.320 -3.685 1.00 0.00 H new ATOM 0 HA HIS A 49 10.053 -3.762 -1.442 1.00 0.00 H new ATOM 0 HB2 HIS A 49 10.682 -6.309 -1.636 1.00 0.00 H new ATOM 0 HB3 HIS A 49 12.328 -5.750 -1.418 1.00 0.00 H new ATOM 0 HD2 HIS A 49 9.296 -6.641 0.701 1.00 0.00 H new ATOM 0 HE1 HIS A 49 11.929 -4.504 3.251 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.841 -5.958 3.157 1.00 0.00 H new ATOM 726 N PRO A 50 11.952 -2.255 -0.848 1.00 0.00 N ATOM 727 CA PRO A 50 12.974 -1.234 -0.600 1.00 0.00 C ATOM 728 C PRO A 50 14.231 -1.816 0.038 1.00 0.00 C ATOM 729 O PRO A 50 15.343 -1.584 -0.435 1.00 0.00 O ATOM 730 CB PRO A 50 12.283 -0.267 0.364 1.00 0.00 C ATOM 731 CG PRO A 50 11.249 -1.091 1.051 1.00 0.00 C ATOM 732 CD PRO A 50 10.786 -2.102 0.039 1.00 0.00 C ATOM 0 HA PRO A 50 13.315 -0.765 -1.523 1.00 0.00 H new ATOM 0 HB2 PRO A 50 12.991 0.155 1.077 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.832 0.570 -0.170 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.663 -1.582 1.932 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.419 -0.472 1.392 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.513 -3.046 0.510 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.909 -1.752 -0.506 1.00 0.00 H new ATOM 740 N ASP A 51 14.046 -2.572 1.115 1.00 0.00 N ATOM 741 CA ASP A 51 15.166 -3.188 1.818 1.00 0.00 C ATOM 742 C ASP A 51 16.063 -3.950 0.848 1.00 0.00 C ATOM 743 O ASP A 51 17.270 -3.715 0.785 1.00 0.00 O ATOM 744 CB ASP A 51 14.654 -4.132 2.907 1.00 0.00 C ATOM 745 CG ASP A 51 14.218 -3.391 4.156 1.00 0.00 C ATOM 746 OD1 ASP A 51 14.450 -2.166 4.232 1.00 0.00 O ATOM 747 OD2 ASP A 51 13.643 -4.036 5.058 1.00 0.00 O ATOM 0 H ASP A 51 13.132 -2.773 1.520 1.00 0.00 H new ATOM 0 HA ASP A 51 15.753 -2.395 2.281 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.815 -4.709 2.519 1.00 0.00 H new ATOM 0 HB3 ASP A 51 15.438 -4.844 3.165 1.00 0.00 H new ATOM 752 N LYS A 52 15.465 -4.866 0.092 1.00 0.00 N ATOM 753 CA LYS A 52 16.209 -5.664 -0.876 1.00 0.00 C ATOM 754 C LYS A 52 16.913 -4.770 -1.891 1.00 0.00 C ATOM 755 O LYS A 52 18.099 -4.945 -2.171 1.00 0.00 O ATOM 756 CB LYS A 52 15.270 -6.633 -1.597 1.00 0.00 C ATOM 757 CG LYS A 52 15.137 -7.979 -0.907 1.00 0.00 C ATOM 758 CD LYS A 52 14.167 -7.914 0.260 1.00 0.00 C ATOM 759 CE LYS A 52 14.877 -7.550 1.556 1.00 0.00 C ATOM 760 NZ LYS A 52 15.672 -8.690 2.091 1.00 0.00 N ATOM 0 H LYS A 52 14.467 -5.074 0.131 1.00 0.00 H new ATOM 0 HA LYS A 52 16.965 -6.235 -0.336 1.00 0.00 H new ATOM 0 HB2 LYS A 52 14.283 -6.177 -1.678 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.633 -6.789 -2.613 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.795 -8.724 -1.625 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.114 -8.305 -0.551 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.392 -7.177 0.049 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.669 -8.877 0.375 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.534 -6.698 1.383 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.142 -7.240 2.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.943 -8.492 3.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.100 -9.558 2.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 16.528 -8.817 1.515 1.00 0.00 H new ATOM 774 N HIS A 53 16.175 -3.810 -2.440 1.00 0.00 N ATOM 775 CA HIS A 53 16.730 -2.886 -3.423 1.00 0.00 C ATOM 776 C HIS A 53 16.767 -1.464 -2.873 1.00 0.00 C ATOM 777 O HIS A 53 15.926 -0.625 -3.198 1.00 0.00 O ATOM 778 CB HIS A 53 15.907 -2.926 -4.712 1.00 0.00 C ATOM 779 CG HIS A 53 15.596 -4.314 -5.181 1.00 0.00 C ATOM 780 ND1 HIS A 53 16.431 -5.033 -6.010 1.00 0.00 N ATOM 781 CD2 HIS A 53 14.534 -5.115 -4.932 1.00 0.00 C ATOM 782 CE1 HIS A 53 15.896 -6.216 -6.252 1.00 0.00 C ATOM 783 NE2 HIS A 53 14.745 -6.292 -5.609 1.00 0.00 N ATOM 0 H HIS A 53 15.191 -3.652 -2.221 1.00 0.00 H new ATOM 0 HA HIS A 53 17.751 -3.198 -3.642 1.00 0.00 H new ATOM 0 HB2 HIS A 53 14.973 -2.387 -4.554 1.00 0.00 H new ATOM 0 HB3 HIS A 53 16.450 -2.399 -5.497 1.00 0.00 H new ATOM 0 HD2 HIS A 53 13.680 -4.874 -4.316 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.327 -6.990 -6.871 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.115 -7.094 -5.614 1.00 0.00 H new ATOM 791 N PRO A 54 17.762 -1.185 -2.019 1.00 0.00 N ATOM 792 CA PRO A 54 17.932 0.135 -1.405 1.00 0.00 C ATOM 793 C PRO A 54 18.371 1.191 -2.414 1.00 0.00 C ATOM 794 O PRO A 54 18.430 2.379 -2.097 1.00 0.00 O ATOM 795 CB PRO A 54 19.030 -0.096 -0.363 1.00 0.00 C ATOM 796 CG PRO A 54 19.797 -1.266 -0.875 1.00 0.00 C ATOM 797 CD PRO A 54 18.799 -2.137 -1.587 1.00 0.00 C ATOM 0 HA PRO A 54 16.999 0.512 -0.985 1.00 0.00 H new ATOM 0 HB2 PRO A 54 19.668 0.781 -0.259 1.00 0.00 H new ATOM 0 HB3 PRO A 54 18.606 -0.300 0.620 1.00 0.00 H new ATOM 0 HG2 PRO A 54 20.589 -0.947 -1.552 1.00 0.00 H new ATOM 0 HG3 PRO A 54 20.274 -1.807 -0.058 1.00 0.00 H new ATOM 0 HD2 PRO A 54 19.249 -2.653 -2.435 1.00 0.00 H new ATOM 0 HD3 PRO A 54 18.391 -2.903 -0.927 1.00 0.00 H new ATOM 805 N GLU A 55 18.676 0.751 -3.631 1.00 0.00 N ATOM 806 CA GLU A 55 19.109 1.660 -4.686 1.00 0.00 C ATOM 807 C GLU A 55 17.929 2.456 -5.236 1.00 0.00 C ATOM 808 O GLU A 55 18.034 3.659 -5.471 1.00 0.00 O ATOM 809 CB GLU A 55 19.784 0.880 -5.816 1.00 0.00 C ATOM 810 CG GLU A 55 21.271 0.655 -5.597 1.00 0.00 C ATOM 811 CD GLU A 55 21.553 -0.360 -4.507 1.00 0.00 C ATOM 812 OE1 GLU A 55 21.194 -1.542 -4.690 1.00 0.00 O ATOM 813 OE2 GLU A 55 22.133 0.027 -3.471 1.00 0.00 O ATOM 0 H GLU A 55 18.631 -0.229 -3.911 1.00 0.00 H new ATOM 0 HA GLU A 55 19.828 2.358 -4.257 1.00 0.00 H new ATOM 0 HB2 GLU A 55 19.291 -0.086 -5.924 1.00 0.00 H new ATOM 0 HB3 GLU A 55 19.641 1.418 -6.753 1.00 0.00 H new ATOM 0 HG2 GLU A 55 21.725 0.317 -6.529 1.00 0.00 H new ATOM 0 HG3 GLU A 55 21.744 1.602 -5.337 1.00 0.00 H new ATOM 820 N ASN A 56 16.806 1.774 -5.440 1.00 0.00 N ATOM 821 CA ASN A 56 15.606 2.416 -5.964 1.00 0.00 C ATOM 822 C ASN A 56 14.773 3.016 -4.836 1.00 0.00 C ATOM 823 O ASN A 56 14.278 2.312 -3.955 1.00 0.00 O ATOM 824 CB ASN A 56 14.767 1.409 -6.753 1.00 0.00 C ATOM 825 CG ASN A 56 13.980 2.064 -7.873 1.00 0.00 C ATOM 826 OD1 ASN A 56 14.029 3.281 -8.051 1.00 0.00 O ATOM 827 ND2 ASN A 56 13.250 1.256 -8.633 1.00 0.00 N ATOM 0 H ASN A 56 16.702 0.777 -5.250 1.00 0.00 H new ATOM 0 HA ASN A 56 15.916 3.221 -6.630 1.00 0.00 H new ATOM 0 HB2 ASN A 56 15.421 0.644 -7.171 1.00 0.00 H new ATOM 0 HB3 ASN A 56 14.078 0.904 -6.076 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.699 1.638 -9.402 1.00 0.00 H new ATOM 0 HD22 ASN A 56 13.240 0.253 -8.448 1.00 0.00 H new ATOM 834 N PRO A 57 14.613 4.347 -4.861 1.00 0.00 N ATOM 835 CA PRO A 57 13.840 5.071 -3.848 1.00 0.00 C ATOM 836 C PRO A 57 12.344 4.791 -3.952 1.00 0.00 C ATOM 837 O PRO A 57 11.692 4.466 -2.959 1.00 0.00 O ATOM 838 CB PRO A 57 14.132 6.541 -4.162 1.00 0.00 C ATOM 839 CG PRO A 57 14.484 6.556 -5.609 1.00 0.00 C ATOM 840 CD PRO A 57 15.175 5.248 -5.881 1.00 0.00 C ATOM 0 HA PRO A 57 14.115 4.775 -2.836 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.265 7.169 -3.959 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.951 6.921 -3.551 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.592 6.662 -6.226 1.00 0.00 H new ATOM 0 HG3 PRO A 57 15.136 7.398 -5.843 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.973 4.889 -6.890 1.00 0.00 H new ATOM 0 HD3 PRO A 57 16.257 5.338 -5.786 1.00 0.00 H new ATOM 848 N LYS A 58 11.805 4.919 -5.159 1.00 0.00 N ATOM 849 CA LYS A 58 10.386 4.679 -5.394 1.00 0.00 C ATOM 850 C LYS A 58 9.906 3.458 -4.616 1.00 0.00 C ATOM 851 O LYS A 58 8.805 3.455 -4.066 1.00 0.00 O ATOM 852 CB LYS A 58 10.122 4.481 -6.888 1.00 0.00 C ATOM 853 CG LYS A 58 11.067 3.492 -7.548 1.00 0.00 C ATOM 854 CD LYS A 58 10.517 2.076 -7.497 1.00 0.00 C ATOM 855 CE LYS A 58 9.675 1.761 -8.724 1.00 0.00 C ATOM 856 NZ LYS A 58 9.109 0.384 -8.669 1.00 0.00 N ATOM 0 H LYS A 58 12.330 5.188 -5.991 1.00 0.00 H new ATOM 0 HA LYS A 58 9.832 5.551 -5.046 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.097 4.137 -7.025 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.206 5.443 -7.394 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.232 3.782 -8.586 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.036 3.525 -7.050 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.342 1.366 -7.428 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.913 1.951 -6.598 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.864 2.484 -8.803 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.286 1.867 -9.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.542 0.207 -9.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.884 -0.308 -8.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.506 0.290 -7.827 1.00 0.00 H new ATOM 870 N ALA A 59 10.738 2.423 -4.574 1.00 0.00 N ATOM 871 CA ALA A 59 10.399 1.198 -3.861 1.00 0.00 C ATOM 872 C ALA A 59 9.821 1.507 -2.484 1.00 0.00 C ATOM 873 O ALA A 59 8.698 1.115 -2.169 1.00 0.00 O ATOM 874 CB ALA A 59 11.625 0.305 -3.733 1.00 0.00 C ATOM 0 H ALA A 59 11.652 2.409 -5.026 1.00 0.00 H new ATOM 0 HA ALA A 59 9.638 0.671 -4.436 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.357 -0.606 -3.198 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.993 0.048 -4.726 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.404 0.833 -3.183 1.00 0.00 H new ATOM 880 N VAL A 60 10.597 2.212 -1.666 1.00 0.00 N ATOM 881 CA VAL A 60 10.162 2.574 -0.322 1.00 0.00 C ATOM 882 C VAL A 60 8.692 2.978 -0.311 1.00 0.00 C ATOM 883 O VAL A 60 7.913 2.500 0.512 1.00 0.00 O ATOM 884 CB VAL A 60 11.005 3.729 0.249 1.00 0.00 C ATOM 885 CG1 VAL A 60 10.527 4.100 1.644 1.00 0.00 C ATOM 886 CG2 VAL A 60 12.480 3.355 0.263 1.00 0.00 C ATOM 0 H VAL A 60 11.530 2.544 -1.911 1.00 0.00 H new ATOM 0 HA VAL A 60 10.298 1.692 0.303 1.00 0.00 H new ATOM 0 HB VAL A 60 10.881 4.600 -0.395 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.135 4.918 2.031 1.00 0.00 H new ATOM 0 HG12 VAL A 60 9.484 4.412 1.600 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.620 3.236 2.302 1.00 0.00 H new ATOM 0 HG21 VAL A 60 13.061 4.183 0.670 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.625 2.470 0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.811 3.144 -0.754 1.00 0.00 H new ATOM 896 N GLU A 61 8.320 3.863 -1.231 1.00 0.00 N ATOM 897 CA GLU A 61 6.943 4.333 -1.327 1.00 0.00 C ATOM 898 C GLU A 61 6.017 3.212 -1.792 1.00 0.00 C ATOM 899 O GLU A 61 4.968 2.969 -1.195 1.00 0.00 O ATOM 900 CB GLU A 61 6.850 5.519 -2.289 1.00 0.00 C ATOM 901 CG GLU A 61 5.627 6.392 -2.063 1.00 0.00 C ATOM 902 CD GLU A 61 5.685 7.690 -2.844 1.00 0.00 C ATOM 903 OE1 GLU A 61 6.231 7.682 -3.967 1.00 0.00 O ATOM 904 OE2 GLU A 61 5.186 8.714 -2.332 1.00 0.00 O ATOM 0 H GLU A 61 8.953 4.269 -1.920 1.00 0.00 H new ATOM 0 HA GLU A 61 6.626 4.655 -0.335 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.746 6.131 -2.186 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.835 5.145 -3.313 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.733 5.839 -2.350 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.536 6.616 -1.000 1.00 0.00 H new ATOM 911 N THR A 62 6.413 2.532 -2.863 1.00 0.00 N ATOM 912 CA THR A 62 5.620 1.439 -3.411 1.00 0.00 C ATOM 913 C THR A 62 5.151 0.495 -2.310 1.00 0.00 C ATOM 914 O THR A 62 4.022 0.004 -2.339 1.00 0.00 O ATOM 915 CB THR A 62 6.417 0.635 -4.455 1.00 0.00 C ATOM 916 OG1 THR A 62 6.620 1.425 -5.632 1.00 0.00 O ATOM 917 CG2 THR A 62 5.689 -0.650 -4.820 1.00 0.00 C ATOM 0 H THR A 62 7.279 2.719 -3.368 1.00 0.00 H new ATOM 0 HA THR A 62 4.753 1.889 -3.894 1.00 0.00 H new ATOM 0 HB THR A 62 7.383 0.376 -4.021 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.129 0.907 -6.290 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.271 -1.201 -5.559 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.563 -1.263 -3.927 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.711 -0.408 -5.236 1.00 0.00 H new ATOM 925 N PHE A 63 6.023 0.245 -1.339 1.00 0.00 N ATOM 926 CA PHE A 63 5.697 -0.641 -0.228 1.00 0.00 C ATOM 927 C PHE A 63 4.764 0.049 0.762 1.00 0.00 C ATOM 928 O PHE A 63 3.847 -0.571 1.301 1.00 0.00 O ATOM 929 CB PHE A 63 6.974 -1.090 0.486 1.00 0.00 C ATOM 930 CG PHE A 63 6.794 -2.329 1.315 1.00 0.00 C ATOM 931 CD1 PHE A 63 5.965 -2.321 2.425 1.00 0.00 C ATOM 932 CD2 PHE A 63 7.452 -3.503 0.984 1.00 0.00 C ATOM 933 CE1 PHE A 63 5.797 -3.460 3.190 1.00 0.00 C ATOM 934 CE2 PHE A 63 7.288 -4.645 1.745 1.00 0.00 C ATOM 935 CZ PHE A 63 6.459 -4.623 2.849 1.00 0.00 C ATOM 0 H PHE A 63 6.961 0.644 -1.299 1.00 0.00 H new ATOM 0 HA PHE A 63 5.188 -1.516 -0.632 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.752 -1.269 -0.256 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.325 -0.282 1.127 1.00 0.00 H new ATOM 0 HD1 PHE A 63 5.444 -1.414 2.696 1.00 0.00 H new ATOM 0 HD2 PHE A 63 8.101 -3.526 0.121 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.149 -3.440 4.054 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.807 -5.553 1.477 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.328 -5.514 3.445 1.00 0.00 H new ATOM 945 N GLN A 64 5.005 1.335 0.996 1.00 0.00 N ATOM 946 CA GLN A 64 4.187 2.109 1.922 1.00 0.00 C ATOM 947 C GLN A 64 2.720 2.081 1.507 1.00 0.00 C ATOM 948 O GLN A 64 1.830 1.922 2.342 1.00 0.00 O ATOM 949 CB GLN A 64 4.683 3.554 1.988 1.00 0.00 C ATOM 950 CG GLN A 64 5.858 3.752 2.933 1.00 0.00 C ATOM 951 CD GLN A 64 6.243 5.210 3.088 1.00 0.00 C ATOM 952 OE1 GLN A 64 5.635 6.093 2.482 1.00 0.00 O ATOM 953 NE2 GLN A 64 7.258 5.471 3.904 1.00 0.00 N ATOM 0 H GLN A 64 5.760 1.863 0.557 1.00 0.00 H new ATOM 0 HA GLN A 64 4.275 1.657 2.910 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.974 3.876 0.988 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.861 4.197 2.303 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.606 3.341 3.911 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.716 3.191 2.562 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.734 4.708 4.386 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.562 6.434 4.048 1.00 0.00 H new ATOM 962 N LYS A 65 2.474 2.238 0.210 1.00 0.00 N ATOM 963 CA LYS A 65 1.115 2.230 -0.318 1.00 0.00 C ATOM 964 C LYS A 65 0.567 0.808 -0.387 1.00 0.00 C ATOM 965 O LYS A 65 -0.639 0.590 -0.262 1.00 0.00 O ATOM 966 CB LYS A 65 1.083 2.869 -1.708 1.00 0.00 C ATOM 967 CG LYS A 65 1.341 1.885 -2.836 1.00 0.00 C ATOM 968 CD LYS A 65 1.668 2.600 -4.136 1.00 0.00 C ATOM 969 CE LYS A 65 2.790 3.610 -3.950 1.00 0.00 C ATOM 970 NZ LYS A 65 3.536 3.849 -5.216 1.00 0.00 N ATOM 0 H LYS A 65 3.199 2.372 -0.495 1.00 0.00 H new ATOM 0 HA LYS A 65 0.486 2.811 0.356 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.111 3.337 -1.861 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.829 3.662 -1.751 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.166 1.227 -2.564 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.463 1.254 -2.977 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.956 1.869 -4.892 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.778 3.108 -4.507 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.375 4.551 -3.590 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.478 3.251 -3.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.324 4.504 -5.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.910 2.947 -5.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.896 4.263 -5.923 1.00 0.00 H new ATOM 984 N LEU A 66 1.459 -0.156 -0.585 1.00 0.00 N ATOM 985 CA LEU A 66 1.064 -1.558 -0.669 1.00 0.00 C ATOM 986 C LEU A 66 0.406 -2.017 0.628 1.00 0.00 C ATOM 987 O LEU A 66 -0.722 -2.510 0.622 1.00 0.00 O ATOM 988 CB LEU A 66 2.281 -2.433 -0.975 1.00 0.00 C ATOM 989 CG LEU A 66 2.581 -2.671 -2.455 1.00 0.00 C ATOM 990 CD1 LEU A 66 4.051 -3.007 -2.655 1.00 0.00 C ATOM 991 CD2 LEU A 66 1.699 -3.782 -3.007 1.00 0.00 C ATOM 0 H LEU A 66 2.460 0.007 -0.690 1.00 0.00 H new ATOM 0 HA LEU A 66 0.339 -1.658 -1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.157 -1.975 -0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.138 -3.400 -0.494 1.00 0.00 H new ATOM 0 HG LEU A 66 2.361 -1.754 -3.002 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.245 -3.173 -3.715 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.665 -2.180 -2.299 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.297 -3.909 -2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.927 -3.937 -4.062 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.887 -4.703 -2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.651 -3.502 -2.899 1.00 0.00 H new ATOM 1003 N GLN A 67 1.118 -1.850 1.738 1.00 0.00 N ATOM 1004 CA GLN A 67 0.602 -2.246 3.043 1.00 0.00 C ATOM 1005 C GLN A 67 -0.765 -1.621 3.300 1.00 0.00 C ATOM 1006 O GLN A 67 -1.634 -2.234 3.921 1.00 0.00 O ATOM 1007 CB GLN A 67 1.579 -1.838 4.147 1.00 0.00 C ATOM 1008 CG GLN A 67 1.759 -0.334 4.274 1.00 0.00 C ATOM 1009 CD GLN A 67 2.562 0.056 5.499 1.00 0.00 C ATOM 1010 OE1 GLN A 67 2.829 -0.773 6.370 1.00 0.00 O ATOM 1011 NE2 GLN A 67 2.951 1.323 5.573 1.00 0.00 N ATOM 0 H GLN A 67 2.053 -1.443 1.760 1.00 0.00 H new ATOM 0 HA GLN A 67 0.492 -3.330 3.048 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.225 -2.235 5.099 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.548 -2.296 3.951 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.257 0.045 3.382 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.780 0.143 4.319 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.707 1.976 4.828 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.494 1.644 6.375 1.00 0.00 H new ATOM 1020 N LYS A 68 -0.950 -0.396 2.820 1.00 0.00 N ATOM 1021 CA LYS A 68 -2.211 0.314 2.997 1.00 0.00 C ATOM 1022 C LYS A 68 -3.327 -0.353 2.198 1.00 0.00 C ATOM 1023 O LYS A 68 -4.269 -0.902 2.770 1.00 0.00 O ATOM 1024 CB LYS A 68 -2.063 1.774 2.564 1.00 0.00 C ATOM 1025 CG LYS A 68 -3.373 2.542 2.557 1.00 0.00 C ATOM 1026 CD LYS A 68 -3.981 2.621 3.947 1.00 0.00 C ATOM 1027 CE LYS A 68 -3.271 3.655 4.808 1.00 0.00 C ATOM 1028 NZ LYS A 68 -3.856 5.014 4.638 1.00 0.00 N ATOM 0 H LYS A 68 -0.241 0.126 2.305 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.473 0.280 4.054 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.362 2.273 3.233 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.628 1.806 1.565 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.203 3.549 2.175 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.076 2.058 1.879 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.038 2.875 3.869 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.922 1.644 4.427 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.335 3.361 5.856 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.213 3.680 4.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.345 5.690 5.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.773 5.306 3.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.859 4.997 4.911 1.00 0.00 H new ATOM 1042 N ALA A 69 -3.214 -0.302 0.875 1.00 0.00 N ATOM 1043 CA ALA A 69 -4.211 -0.904 0.000 1.00 0.00 C ATOM 1044 C ALA A 69 -4.606 -2.293 0.491 1.00 0.00 C ATOM 1045 O ALA A 69 -5.787 -2.582 0.686 1.00 0.00 O ATOM 1046 CB ALA A 69 -3.687 -0.976 -1.427 1.00 0.00 C ATOM 0 H ALA A 69 -2.442 0.150 0.386 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.101 -0.274 0.017 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.443 -1.428 -2.070 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.462 0.029 -1.783 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.781 -1.581 -1.452 1.00 0.00 H new ATOM 1052 N LYS A 70 -3.611 -3.151 0.689 1.00 0.00 N ATOM 1053 CA LYS A 70 -3.854 -4.510 1.158 1.00 0.00 C ATOM 1054 C LYS A 70 -4.719 -4.506 2.414 1.00 0.00 C ATOM 1055 O LYS A 70 -5.692 -5.252 2.510 1.00 0.00 O ATOM 1056 CB LYS A 70 -2.527 -5.218 1.442 1.00 0.00 C ATOM 1057 CG LYS A 70 -2.685 -6.527 2.195 1.00 0.00 C ATOM 1058 CD LYS A 70 -2.636 -6.315 3.699 1.00 0.00 C ATOM 1059 CE LYS A 70 -2.638 -7.638 4.449 1.00 0.00 C ATOM 1060 NZ LYS A 70 -2.813 -7.444 5.915 1.00 0.00 N ATOM 0 H LYS A 70 -2.628 -2.929 0.532 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.386 -5.049 0.374 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.018 -5.411 0.497 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.886 -4.552 2.019 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.633 -6.992 1.923 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.895 -7.216 1.898 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.741 -5.750 3.959 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.492 -5.717 4.011 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.440 -8.270 4.068 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.702 -8.163 4.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.809 -8.369 6.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.034 -6.862 6.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.718 -6.966 6.096 1.00 0.00 H new ATOM 1074 N GLU A 71 -4.358 -3.659 3.373 1.00 0.00 N ATOM 1075 CA GLU A 71 -5.103 -3.559 4.622 1.00 0.00 C ATOM 1076 C GLU A 71 -6.532 -3.089 4.367 1.00 0.00 C ATOM 1077 O GLU A 71 -7.493 -3.734 4.789 1.00 0.00 O ATOM 1078 CB GLU A 71 -4.402 -2.597 5.584 1.00 0.00 C ATOM 1079 CG GLU A 71 -4.953 -2.641 6.999 1.00 0.00 C ATOM 1080 CD GLU A 71 -6.403 -2.202 7.074 1.00 0.00 C ATOM 1081 OE1 GLU A 71 -6.734 -1.148 6.491 1.00 0.00 O ATOM 1082 OE2 GLU A 71 -7.206 -2.912 7.714 1.00 0.00 O ATOM 0 H GLU A 71 -3.555 -3.033 3.309 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.140 -4.550 5.074 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.338 -2.834 5.610 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.493 -1.581 5.199 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.864 -3.655 7.388 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.349 -1.999 7.640 1.00 0.00 H new ATOM 1089 N ILE A 72 -6.663 -1.962 3.676 1.00 0.00 N ATOM 1090 CA ILE A 72 -7.974 -1.406 3.364 1.00 0.00 C ATOM 1091 C ILE A 72 -8.880 -2.456 2.729 1.00 0.00 C ATOM 1092 O ILE A 72 -10.030 -2.627 3.134 1.00 0.00 O ATOM 1093 CB ILE A 72 -7.862 -0.198 2.415 1.00 0.00 C ATOM 1094 CG1 ILE A 72 -6.952 0.872 3.022 1.00 0.00 C ATOM 1095 CG2 ILE A 72 -9.241 0.375 2.123 1.00 0.00 C ATOM 1096 CD1 ILE A 72 -7.543 1.550 4.238 1.00 0.00 C ATOM 0 H ILE A 72 -5.878 -1.416 3.322 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.410 -1.077 4.307 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.422 -0.532 1.475 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.001 0.415 3.297 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.736 1.626 2.265 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.146 1.228 1.451 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.861 -0.389 1.654 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.706 0.697 3.055 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.843 2.296 4.615 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.479 2.036 3.964 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.733 0.807 5.013 1.00 0.00 H new ATOM 1108 N LEU A 73 -8.353 -3.157 1.731 1.00 0.00 N ATOM 1109 CA LEU A 73 -9.112 -4.193 1.039 1.00 0.00 C ATOM 1110 C LEU A 73 -9.370 -5.384 1.957 1.00 0.00 C ATOM 1111 O LEU A 73 -10.518 -5.703 2.271 1.00 0.00 O ATOM 1112 CB LEU A 73 -8.363 -4.652 -0.213 1.00 0.00 C ATOM 1113 CG LEU A 73 -8.054 -3.568 -1.246 1.00 0.00 C ATOM 1114 CD1 LEU A 73 -7.127 -4.106 -2.324 1.00 0.00 C ATOM 1115 CD2 LEU A 73 -9.340 -3.038 -1.863 1.00 0.00 C ATOM 0 H LEU A 73 -7.403 -3.027 1.383 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.072 -3.770 0.745 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.423 -5.108 0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.951 -5.431 -0.698 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.550 -2.745 -0.740 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.919 -3.320 -3.050 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.193 -4.437 -1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.604 -4.947 -2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.101 -2.267 -2.596 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.871 -3.854 -2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.970 -2.613 -1.082 1.00 0.00 H new ATOM 1127 N THR A 74 -8.295 -6.037 2.386 1.00 0.00 N ATOM 1128 CA THR A 74 -8.405 -7.192 3.269 1.00 0.00 C ATOM 1129 C THR A 74 -9.538 -7.012 4.271 1.00 0.00 C ATOM 1130 O THR A 74 -10.283 -7.949 4.556 1.00 0.00 O ATOM 1131 CB THR A 74 -7.091 -7.440 4.035 1.00 0.00 C ATOM 1132 OG1 THR A 74 -6.708 -6.257 4.745 1.00 0.00 O ATOM 1133 CG2 THR A 74 -5.978 -7.849 3.082 1.00 0.00 C ATOM 0 H THR A 74 -7.338 -5.786 2.137 1.00 0.00 H new ATOM 0 HA THR A 74 -8.617 -8.054 2.637 1.00 0.00 H new ATOM 0 HB THR A 74 -7.256 -8.251 4.744 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.224 -5.494 4.412 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.061 -8.019 3.646 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.261 -8.766 2.564 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.814 -7.056 2.352 1.00 0.00 H new ATOM 1141 N ASN A 75 -9.664 -5.801 4.804 1.00 0.00 N ATOM 1142 CA ASN A 75 -10.709 -5.498 5.776 1.00 0.00 C ATOM 1143 C ASN A 75 -11.961 -4.971 5.082 1.00 0.00 C ATOM 1144 O ASN A 75 -11.924 -3.937 4.417 1.00 0.00 O ATOM 1145 CB ASN A 75 -10.206 -4.473 6.794 1.00 0.00 C ATOM 1146 CG ASN A 75 -9.512 -5.123 7.975 1.00 0.00 C ATOM 1147 OD1 ASN A 75 -8.309 -5.385 7.936 1.00 0.00 O ATOM 1148 ND2 ASN A 75 -10.269 -5.387 9.034 1.00 0.00 N ATOM 0 H ASN A 75 -9.056 -5.014 4.579 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.965 -6.421 6.297 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.516 -3.787 6.303 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.046 -3.878 7.152 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -9.858 -5.824 9.859 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -11.262 -5.153 9.022 1.00 0.00 H new ATOM 1155 N GLU A 76 -13.068 -5.689 5.244 1.00 0.00 N ATOM 1156 CA GLU A 76 -14.331 -5.293 4.633 1.00 0.00 C ATOM 1157 C GLU A 76 -14.848 -3.994 5.246 1.00 0.00 C ATOM 1158 O GLU A 76 -15.531 -3.214 4.584 1.00 0.00 O ATOM 1159 CB GLU A 76 -15.374 -6.400 4.802 1.00 0.00 C ATOM 1160 CG GLU A 76 -15.875 -6.552 6.229 1.00 0.00 C ATOM 1161 CD GLU A 76 -14.989 -7.455 7.065 1.00 0.00 C ATOM 1162 OE1 GLU A 76 -14.730 -8.598 6.633 1.00 0.00 O ATOM 1163 OE2 GLU A 76 -14.554 -7.018 8.151 1.00 0.00 O ATOM 0 H GLU A 76 -13.116 -6.547 5.793 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.155 -5.128 3.570 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -16.221 -6.192 4.149 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.944 -7.346 4.474 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -15.931 -5.569 6.697 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.887 -6.956 6.214 1.00 0.00 H new ATOM 1170 N GLU A 77 -14.516 -3.772 6.513 1.00 0.00 N ATOM 1171 CA GLU A 77 -14.948 -2.569 7.215 1.00 0.00 C ATOM 1172 C GLU A 77 -14.433 -1.315 6.514 1.00 0.00 C ATOM 1173 O GLU A 77 -15.207 -0.426 6.161 1.00 0.00 O ATOM 1174 CB GLU A 77 -14.459 -2.593 8.665 1.00 0.00 C ATOM 1175 CG GLU A 77 -14.844 -1.356 9.458 1.00 0.00 C ATOM 1176 CD GLU A 77 -16.345 -1.144 9.516 1.00 0.00 C ATOM 1177 OE1 GLU A 77 -17.083 -2.147 9.606 1.00 0.00 O ATOM 1178 OE2 GLU A 77 -16.780 0.026 9.471 1.00 0.00 O ATOM 0 H GLU A 77 -13.950 -4.408 7.074 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.038 -2.547 7.207 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.865 -3.474 9.162 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.374 -2.695 8.672 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.454 -1.443 10.472 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.374 -0.481 9.010 1.00 0.00 H new ATOM 1185 N SER A 78 -13.120 -1.252 6.316 1.00 0.00 N ATOM 1186 CA SER A 78 -12.500 -0.107 5.661 1.00 0.00 C ATOM 1187 C SER A 78 -12.763 -0.131 4.159 1.00 0.00 C ATOM 1188 O SER A 78 -13.057 0.899 3.552 1.00 0.00 O ATOM 1189 CB SER A 78 -10.993 -0.096 5.926 1.00 0.00 C ATOM 1190 OG SER A 78 -10.479 -1.414 6.005 1.00 0.00 O ATOM 0 H SER A 78 -12.465 -1.981 6.600 1.00 0.00 H new ATOM 0 HA SER A 78 -12.942 0.800 6.075 1.00 0.00 H new ATOM 0 HB2 SER A 78 -10.485 0.449 5.130 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.788 0.434 6.856 1.00 0.00 H new ATOM 0 HG SER A 78 -10.350 -1.769 5.101 1.00 0.00 H new ATOM 1196 N ARG A 79 -12.656 -1.315 3.565 1.00 0.00 N ATOM 1197 CA ARG A 79 -12.881 -1.475 2.133 1.00 0.00 C ATOM 1198 C ARG A 79 -14.213 -0.856 1.720 1.00 0.00 C ATOM 1199 O ARG A 79 -14.316 -0.225 0.669 1.00 0.00 O ATOM 1200 CB ARG A 79 -12.856 -2.957 1.754 1.00 0.00 C ATOM 1201 CG ARG A 79 -12.934 -3.203 0.256 1.00 0.00 C ATOM 1202 CD ARG A 79 -12.912 -4.689 -0.066 1.00 0.00 C ATOM 1203 NE ARG A 79 -12.352 -4.955 -1.388 1.00 0.00 N ATOM 1204 CZ ARG A 79 -12.388 -6.146 -1.976 1.00 0.00 C ATOM 1205 NH1 ARG A 79 -12.955 -7.175 -1.362 1.00 0.00 N ATOM 1206 NH2 ARG A 79 -11.856 -6.308 -3.181 1.00 0.00 N ATOM 0 H ARG A 79 -12.415 -2.178 4.053 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.080 -0.958 1.604 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -11.942 -3.407 2.141 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -13.690 -3.462 2.241 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.846 -2.757 -0.140 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.097 -2.710 -0.239 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.326 -5.215 0.688 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -13.926 -5.086 -0.015 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.909 -4.184 -1.888 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.365 -7.054 -0.436 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -12.981 -8.088 -1.816 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.419 -5.518 -3.656 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.884 -7.222 -3.632 1.00 0.00 H new ATOM 1220 N ALA A 80 -15.231 -1.042 2.555 1.00 0.00 N ATOM 1221 CA ALA A 80 -16.555 -0.501 2.277 1.00 0.00 C ATOM 1222 C ALA A 80 -16.522 1.022 2.203 1.00 0.00 C ATOM 1223 O ALA A 80 -16.979 1.615 1.226 1.00 0.00 O ATOM 1224 CB ALA A 80 -17.545 -0.958 3.339 1.00 0.00 C ATOM 0 H ALA A 80 -15.163 -1.563 3.429 1.00 0.00 H new ATOM 0 HA ALA A 80 -16.878 -0.879 1.307 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -18.530 -0.547 3.119 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -17.599 -2.047 3.342 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -17.216 -0.608 4.318 1.00 0.00 H new ATOM 1230 N ARG A 81 -15.979 1.648 3.241 1.00 0.00 N ATOM 1231 CA ARG A 81 -15.888 3.102 3.294 1.00 0.00 C ATOM 1232 C ARG A 81 -15.225 3.652 2.034 1.00 0.00 C ATOM 1233 O ARG A 81 -15.623 4.695 1.515 1.00 0.00 O ATOM 1234 CB ARG A 81 -15.100 3.541 4.530 1.00 0.00 C ATOM 1235 CG ARG A 81 -15.803 3.233 5.841 1.00 0.00 C ATOM 1236 CD ARG A 81 -16.933 4.214 6.112 1.00 0.00 C ATOM 1237 NE ARG A 81 -17.665 3.882 7.331 1.00 0.00 N ATOM 1238 CZ ARG A 81 -18.516 2.866 7.424 1.00 0.00 C ATOM 1239 NH1 ARG A 81 -18.739 2.086 6.376 1.00 0.00 N ATOM 1240 NH2 ARG A 81 -19.144 2.628 8.568 1.00 0.00 N ATOM 0 H ARG A 81 -15.595 1.171 4.057 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.900 3.502 3.356 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.128 3.048 4.524 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -14.914 4.613 4.470 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -16.200 2.218 5.812 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -15.083 3.271 6.659 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -16.526 5.222 6.197 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -17.620 4.218 5.266 1.00 0.00 H new ATOM 0 HE ARG A 81 -17.515 4.462 8.157 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -18.257 2.265 5.495 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -19.393 1.307 6.450 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -18.974 3.225 9.377 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -19.797 1.848 8.638 1.00 0.00 H new ATOM 1254 N TYR A 82 -14.213 2.942 1.547 1.00 0.00 N ATOM 1255 CA TYR A 82 -13.494 3.360 0.349 1.00 0.00 C ATOM 1256 C TYR A 82 -14.424 3.403 -0.859 1.00 0.00 C ATOM 1257 O TYR A 82 -14.634 4.458 -1.457 1.00 0.00 O ATOM 1258 CB TYR A 82 -12.326 2.411 0.074 1.00 0.00 C ATOM 1259 CG TYR A 82 -11.604 2.700 -1.223 1.00 0.00 C ATOM 1260 CD1 TYR A 82 -11.019 3.938 -1.455 1.00 0.00 C ATOM 1261 CD2 TYR A 82 -11.509 1.734 -2.218 1.00 0.00 C ATOM 1262 CE1 TYR A 82 -10.359 4.207 -2.638 1.00 0.00 C ATOM 1263 CE2 TYR A 82 -10.851 1.993 -3.404 1.00 0.00 C ATOM 1264 CZ TYR A 82 -10.277 3.231 -3.610 1.00 0.00 C ATOM 1265 OH TYR A 82 -9.621 3.493 -4.791 1.00 0.00 O ATOM 0 H TYR A 82 -13.872 2.075 1.963 1.00 0.00 H new ATOM 0 HA TYR A 82 -13.106 4.364 0.521 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -11.615 2.475 0.898 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.698 1.387 0.053 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -11.081 4.704 -0.697 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -11.958 0.764 -2.061 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.910 5.175 -2.801 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.786 1.231 -4.166 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.654 2.700 -5.366 1.00 0.00 H new ATOM 1275 N ASP A 83 -14.980 2.249 -1.210 1.00 0.00 N ATOM 1276 CA ASP A 83 -15.890 2.153 -2.345 1.00 0.00 C ATOM 1277 C ASP A 83 -16.771 3.395 -2.442 1.00 0.00 C ATOM 1278 O ASP A 83 -17.022 3.907 -3.534 1.00 0.00 O ATOM 1279 CB ASP A 83 -16.763 0.903 -2.223 1.00 0.00 C ATOM 1280 CG ASP A 83 -16.022 -0.361 -2.614 1.00 0.00 C ATOM 1281 OD1 ASP A 83 -14.877 -0.545 -2.151 1.00 0.00 O ATOM 1282 OD2 ASP A 83 -16.588 -1.166 -3.383 1.00 0.00 O ATOM 0 H ASP A 83 -14.816 1.367 -0.725 1.00 0.00 H new ATOM 0 HA ASP A 83 -15.291 2.081 -3.253 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -17.118 0.810 -1.197 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -17.643 1.015 -2.856 1.00 0.00 H new ATOM 1287 N HIS A 84 -17.238 3.875 -1.294 1.00 0.00 N ATOM 1288 CA HIS A 84 -18.091 5.057 -1.249 1.00 0.00 C ATOM 1289 C HIS A 84 -17.387 6.259 -1.872 1.00 0.00 C ATOM 1290 O HIS A 84 -17.971 6.984 -2.677 1.00 0.00 O ATOM 1291 CB HIS A 84 -18.485 5.373 0.194 1.00 0.00 C ATOM 1292 CG HIS A 84 -19.144 6.708 0.356 1.00 0.00 C ATOM 1293 ND1 HIS A 84 -20.319 7.049 -0.280 1.00 0.00 N ATOM 1294 CD2 HIS A 84 -18.787 7.789 1.088 1.00 0.00 C ATOM 1295 CE1 HIS A 84 -20.656 8.282 0.053 1.00 0.00 C ATOM 1296 NE2 HIS A 84 -19.742 8.754 0.883 1.00 0.00 N ATOM 0 H HIS A 84 -17.040 3.463 -0.382 1.00 0.00 H new ATOM 0 HA HIS A 84 -18.992 4.847 -1.826 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -19.160 4.597 0.556 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -17.594 5.338 0.821 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -17.913 7.876 1.717 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -21.530 8.814 -0.294 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -19.746 9.684 1.303 1.00 0.00 H new ATOM 1304 N TRP A 85 -16.130 6.463 -1.494 1.00 0.00 N ATOM 1305 CA TRP A 85 -15.347 7.578 -2.015 1.00 0.00 C ATOM 1306 C TRP A 85 -15.176 7.463 -3.526 1.00 0.00 C ATOM 1307 O TRP A 85 -15.275 8.456 -4.248 1.00 0.00 O ATOM 1308 CB TRP A 85 -13.977 7.627 -1.336 1.00 0.00 C ATOM 1309 CG TRP A 85 -13.028 8.590 -1.983 1.00 0.00 C ATOM 1310 CD1 TRP A 85 -12.829 9.897 -1.643 1.00 0.00 C ATOM 1311 CD2 TRP A 85 -12.151 8.321 -3.082 1.00 0.00 C ATOM 1312 NE1 TRP A 85 -11.881 10.457 -2.465 1.00 0.00 N ATOM 1313 CE2 TRP A 85 -11.449 9.511 -3.356 1.00 0.00 C ATOM 1314 CE3 TRP A 85 -11.890 7.190 -3.861 1.00 0.00 C ATOM 1315 CZ2 TRP A 85 -10.505 9.600 -4.375 1.00 0.00 C ATOM 1316 CZ3 TRP A 85 -10.952 7.281 -4.872 1.00 0.00 C ATOM 1317 CH2 TRP A 85 -10.268 8.478 -5.122 1.00 0.00 C ATOM 0 H TRP A 85 -15.631 5.871 -0.829 1.00 0.00 H new ATOM 0 HA TRP A 85 -15.885 8.501 -1.798 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -14.108 7.904 -0.290 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -13.537 6.630 -1.349 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -13.341 10.415 -0.845 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -11.552 11.421 -2.419 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -12.412 6.262 -3.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -9.978 10.522 -4.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -10.742 6.414 -5.480 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -9.540 8.516 -5.919 1.00 0.00 H new ATOM 1328 N ARG A 86 -14.918 6.248 -3.997 1.00 0.00 N ATOM 1329 CA ARG A 86 -14.732 6.005 -5.423 1.00 0.00 C ATOM 1330 C ARG A 86 -15.848 6.656 -6.235 1.00 0.00 C ATOM 1331 O ARG A 86 -15.588 7.439 -7.149 1.00 0.00 O ATOM 1332 CB ARG A 86 -14.691 4.502 -5.705 1.00 0.00 C ATOM 1333 CG ARG A 86 -13.295 3.906 -5.625 1.00 0.00 C ATOM 1334 CD ARG A 86 -13.290 2.442 -6.038 1.00 0.00 C ATOM 1335 NE ARG A 86 -12.018 2.047 -6.636 1.00 0.00 N ATOM 1336 CZ ARG A 86 -11.571 2.522 -7.793 1.00 0.00 C ATOM 1337 NH1 ARG A 86 -12.288 3.407 -8.472 1.00 0.00 N ATOM 1338 NH2 ARG A 86 -10.403 2.114 -8.273 1.00 0.00 N ATOM 0 H ARG A 86 -14.833 5.416 -3.413 1.00 0.00 H new ATOM 0 HA ARG A 86 -13.782 6.449 -5.721 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -15.337 3.989 -4.993 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -15.100 4.316 -6.698 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.620 4.469 -6.269 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.916 3.999 -4.607 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.490 1.819 -5.166 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.096 2.263 -6.749 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.441 1.369 -6.138 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -13.185 3.725 -8.106 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.942 3.770 -9.360 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.847 1.435 -7.753 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.061 2.480 -9.162 1.00 0.00 H new ATOM 1352 N ARG A 87 -17.090 6.325 -5.896 1.00 0.00 N ATOM 1353 CA ARG A 87 -18.245 6.875 -6.595 1.00 0.00 C ATOM 1354 C ARG A 87 -18.304 8.392 -6.436 1.00 0.00 C ATOM 1355 O ARG A 87 -18.586 9.115 -7.392 1.00 0.00 O ATOM 1356 CB ARG A 87 -19.535 6.246 -6.066 1.00 0.00 C ATOM 1357 CG ARG A 87 -19.679 4.772 -6.411 1.00 0.00 C ATOM 1358 CD ARG A 87 -20.691 4.085 -5.508 1.00 0.00 C ATOM 1359 NE ARG A 87 -22.052 4.196 -6.027 1.00 0.00 N ATOM 1360 CZ ARG A 87 -23.135 3.892 -5.321 1.00 0.00 C ATOM 1361 NH1 ARG A 87 -23.017 3.461 -4.073 1.00 0.00 N ATOM 1362 NH2 ARG A 87 -24.339 4.019 -5.863 1.00 0.00 N ATOM 0 H ARG A 87 -17.322 5.679 -5.142 1.00 0.00 H new ATOM 0 HA ARG A 87 -18.143 6.641 -7.655 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -19.568 6.362 -4.983 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -20.388 6.791 -6.471 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -19.989 4.669 -7.451 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -18.712 4.279 -6.316 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -20.428 3.032 -5.403 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -20.646 4.525 -4.512 1.00 0.00 H new ATOM 0 HE ARG A 87 -22.177 4.525 -6.984 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -22.093 3.362 -3.653 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -23.850 3.228 -3.533 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -24.434 4.350 -6.823 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -25.170 3.785 -5.320 1.00 0.00 H new ATOM 1376 N SER A 88 -18.038 8.866 -5.223 1.00 0.00 N ATOM 1377 CA SER A 88 -18.065 10.296 -4.939 1.00 0.00 C ATOM 1378 C SER A 88 -17.039 11.039 -5.788 1.00 0.00 C ATOM 1379 O SER A 88 -17.155 12.244 -6.007 1.00 0.00 O ATOM 1380 CB SER A 88 -17.793 10.547 -3.454 1.00 0.00 C ATOM 1381 OG SER A 88 -18.927 10.227 -2.667 1.00 0.00 O ATOM 0 H SER A 88 -17.801 8.281 -4.422 1.00 0.00 H new ATOM 0 HA SER A 88 -19.057 10.672 -5.189 1.00 0.00 H new ATOM 0 HB2 SER A 88 -16.941 9.948 -3.131 1.00 0.00 H new ATOM 0 HB3 SER A 88 -17.524 11.592 -3.302 1.00 0.00 H new ATOM 0 HG SER A 88 -18.650 10.083 -1.738 1.00 0.00 H new ATOM 1387 N GLN A 89 -16.034 10.310 -6.263 1.00 0.00 N ATOM 1388 CA GLN A 89 -14.986 10.900 -7.088 1.00 0.00 C ATOM 1389 C GLN A 89 -14.605 12.284 -6.575 1.00 0.00 C ATOM 1390 O GLN A 89 -14.609 13.258 -7.328 1.00 0.00 O ATOM 1391 CB GLN A 89 -15.445 10.991 -8.544 1.00 0.00 C ATOM 1392 CG GLN A 89 -15.113 9.755 -9.365 1.00 0.00 C ATOM 1393 CD GLN A 89 -13.637 9.411 -9.331 1.00 0.00 C ATOM 1394 OE1 GLN A 89 -12.780 10.291 -9.420 1.00 0.00 O ATOM 1395 NE2 GLN A 89 -13.331 8.125 -9.201 1.00 0.00 N ATOM 0 H GLN A 89 -15.923 9.311 -6.091 1.00 0.00 H new ATOM 0 HA GLN A 89 -14.108 10.257 -7.031 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -16.523 11.154 -8.567 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -14.981 11.861 -9.009 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -15.688 8.909 -8.989 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -15.421 9.916 -10.398 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.073 7.429 -9.131 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -12.354 7.834 -9.172 1.00 0.00 H new ATOM 1404 N MET A 90 -14.275 12.364 -5.290 1.00 0.00 N ATOM 1405 CA MET A 90 -13.890 13.630 -4.678 1.00 0.00 C ATOM 1406 C MET A 90 -12.578 14.141 -5.265 1.00 0.00 C ATOM 1407 O MET A 90 -11.713 13.356 -5.653 1.00 0.00 O ATOM 1408 CB MET A 90 -13.755 13.468 -3.162 1.00 0.00 C ATOM 1409 CG MET A 90 -14.942 12.771 -2.518 1.00 0.00 C ATOM 1410 SD MET A 90 -16.323 13.889 -2.214 1.00 0.00 S ATOM 1411 CE MET A 90 -17.222 12.983 -0.957 1.00 0.00 C ATOM 0 H MET A 90 -14.267 11.567 -4.653 1.00 0.00 H new ATOM 0 HA MET A 90 -14.671 14.360 -4.890 1.00 0.00 H new ATOM 0 HB2 MET A 90 -12.850 12.902 -2.944 1.00 0.00 H new ATOM 0 HB3 MET A 90 -13.632 14.452 -2.709 1.00 0.00 H new ATOM 0 HG2 MET A 90 -15.274 11.957 -3.162 1.00 0.00 H new ATOM 0 HG3 MET A 90 -14.628 12.323 -1.575 1.00 0.00 H new ATOM 0 HE1 MET A 90 -18.291 13.155 -1.079 1.00 0.00 H new ATOM 0 HE2 MET A 90 -17.012 11.918 -1.056 1.00 0.00 H new ATOM 0 HE3 MET A 90 -16.910 13.324 0.030 1.00 0.00 H new ATOM 1421 N SER A 91 -12.437 15.461 -5.326 1.00 0.00 N ATOM 1422 CA SER A 91 -11.232 16.077 -5.870 1.00 0.00 C ATOM 1423 C SER A 91 -9.983 15.508 -5.203 1.00 0.00 C ATOM 1424 O SER A 91 -8.984 15.231 -5.866 1.00 0.00 O ATOM 1425 CB SER A 91 -11.279 17.594 -5.681 1.00 0.00 C ATOM 1426 OG SER A 91 -12.028 18.214 -6.711 1.00 0.00 O ATOM 0 H SER A 91 -13.142 16.125 -5.006 1.00 0.00 H new ATOM 0 HA SER A 91 -11.188 15.853 -6.936 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.722 17.829 -4.713 1.00 0.00 H new ATOM 0 HB3 SER A 91 -10.265 17.994 -5.673 1.00 0.00 H new ATOM 0 HG SER A 91 -12.044 19.183 -6.566 1.00 0.00 H new ATOM 1432 N MET A 92 -10.049 15.337 -3.887 1.00 0.00 N ATOM 1433 CA MET A 92 -8.924 14.800 -3.130 1.00 0.00 C ATOM 1434 C MET A 92 -8.987 13.277 -3.069 1.00 0.00 C ATOM 1435 O MET A 92 -10.052 12.671 -3.188 1.00 0.00 O ATOM 1436 CB MET A 92 -8.912 15.378 -1.714 1.00 0.00 C ATOM 1437 CG MET A 92 -9.703 14.552 -0.713 1.00 0.00 C ATOM 1438 SD MET A 92 -11.476 14.574 -1.040 1.00 0.00 S ATOM 1439 CE MET A 92 -12.083 15.382 0.439 1.00 0.00 C ATOM 0 H MET A 92 -10.869 15.562 -3.323 1.00 0.00 H new ATOM 0 HA MET A 92 -8.005 15.088 -3.640 1.00 0.00 H new ATOM 0 HB2 MET A 92 -7.880 15.458 -1.372 1.00 0.00 H new ATOM 0 HB3 MET A 92 -9.318 16.389 -1.740 1.00 0.00 H new ATOM 0 HG2 MET A 92 -9.346 13.522 -0.735 1.00 0.00 H new ATOM 0 HG3 MET A 92 -9.518 14.932 0.292 1.00 0.00 H new ATOM 0 HE1 MET A 92 -13.168 15.470 0.386 1.00 0.00 H new ATOM 0 HE2 MET A 92 -11.809 14.793 1.314 1.00 0.00 H new ATOM 0 HE3 MET A 92 -11.642 16.376 0.518 1.00 0.00 H new ATOM 1449 N PRO A 93 -7.821 12.642 -2.878 1.00 0.00 N ATOM 1450 CA PRO A 93 -7.718 11.182 -2.797 1.00 0.00 C ATOM 1451 C PRO A 93 -8.340 10.628 -1.520 1.00 0.00 C ATOM 1452 O PRO A 93 -8.399 11.312 -0.498 1.00 0.00 O ATOM 1453 CB PRO A 93 -6.208 10.932 -2.808 1.00 0.00 C ATOM 1454 CG PRO A 93 -5.612 12.187 -2.272 1.00 0.00 C ATOM 1455 CD PRO A 93 -6.513 13.302 -2.727 1.00 0.00 C ATOM 0 HA PRO A 93 -8.251 10.690 -3.610 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.944 10.073 -2.190 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.849 10.722 -3.816 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.549 12.155 -1.184 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.598 12.328 -2.646 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.552 14.110 -1.997 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.171 13.737 -3.666 1.00 0.00 H new ATOM 1463 N PHE A 94 -8.803 9.384 -1.585 1.00 0.00 N ATOM 1464 CA PHE A 94 -9.422 8.737 -0.434 1.00 0.00 C ATOM 1465 C PHE A 94 -8.632 9.023 0.840 1.00 0.00 C ATOM 1466 O PHE A 94 -9.169 9.562 1.807 1.00 0.00 O ATOM 1467 CB PHE A 94 -9.517 7.227 -0.660 1.00 0.00 C ATOM 1468 CG PHE A 94 -9.960 6.465 0.556 1.00 0.00 C ATOM 1469 CD1 PHE A 94 -11.207 6.691 1.115 1.00 0.00 C ATOM 1470 CD2 PHE A 94 -9.129 5.522 1.140 1.00 0.00 C ATOM 1471 CE1 PHE A 94 -11.617 5.992 2.235 1.00 0.00 C ATOM 1472 CE2 PHE A 94 -9.534 4.820 2.259 1.00 0.00 C ATOM 1473 CZ PHE A 94 -10.780 5.054 2.807 1.00 0.00 C ATOM 0 H PHE A 94 -8.761 8.804 -2.423 1.00 0.00 H new ATOM 0 HA PHE A 94 -10.427 9.143 -0.317 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -10.215 7.033 -1.475 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.544 6.853 -0.978 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -11.867 7.422 0.671 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -8.154 5.334 0.716 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -12.591 6.179 2.662 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -8.876 4.089 2.705 1.00 0.00 H new ATOM 0 HZ PHE A 94 -11.099 4.505 3.681 1.00 0.00 H new ATOM 1483 N GLN A 95 -7.354 8.657 0.831 1.00 0.00 N ATOM 1484 CA GLN A 95 -6.491 8.873 1.986 1.00 0.00 C ATOM 1485 C GLN A 95 -6.806 10.204 2.661 1.00 0.00 C ATOM 1486 O GLN A 95 -7.022 10.261 3.871 1.00 0.00 O ATOM 1487 CB GLN A 95 -5.021 8.837 1.564 1.00 0.00 C ATOM 1488 CG GLN A 95 -4.652 9.910 0.552 1.00 0.00 C ATOM 1489 CD GLN A 95 -3.424 9.549 -0.260 1.00 0.00 C ATOM 1490 OE1 GLN A 95 -2.322 10.025 0.014 1.00 0.00 O ATOM 1491 NE2 GLN A 95 -3.607 8.702 -1.266 1.00 0.00 N ATOM 0 H GLN A 95 -6.894 8.210 0.038 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.677 8.072 2.701 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -4.395 8.953 2.449 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.797 7.858 1.141 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.493 10.073 -0.122 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.474 10.850 1.074 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -4.538 8.332 -1.458 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -2.817 8.422 -1.847 1.00 0.00 H new ATOM 1500 N GLN A 96 -6.830 11.272 1.869 1.00 0.00 N ATOM 1501 CA GLN A 96 -7.118 12.603 2.391 1.00 0.00 C ATOM 1502 C GLN A 96 -8.475 12.633 3.087 1.00 0.00 C ATOM 1503 O GLN A 96 -8.573 12.986 4.262 1.00 0.00 O ATOM 1504 CB GLN A 96 -7.087 13.634 1.262 1.00 0.00 C ATOM 1505 CG GLN A 96 -7.447 15.040 1.713 1.00 0.00 C ATOM 1506 CD GLN A 96 -6.621 15.504 2.896 1.00 0.00 C ATOM 1507 OE1 GLN A 96 -5.415 15.724 2.778 1.00 0.00 O ATOM 1508 NE2 GLN A 96 -7.267 15.655 4.047 1.00 0.00 N ATOM 0 H GLN A 96 -6.654 11.241 0.865 1.00 0.00 H new ATOM 0 HA GLN A 96 -6.350 12.853 3.123 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -6.091 13.647 0.820 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.779 13.324 0.479 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -7.305 15.731 0.882 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.504 15.073 1.978 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.267 15.461 4.100 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.763 15.965 4.878 1.00 0.00 H new ATOM 1517 N TRP A 97 -9.518 12.261 2.353 1.00 0.00 N ATOM 1518 CA TRP A 97 -10.870 12.246 2.900 1.00 0.00 C ATOM 1519 C TRP A 97 -10.917 11.475 4.215 1.00 0.00 C ATOM 1520 O TRP A 97 -11.537 11.918 5.181 1.00 0.00 O ATOM 1521 CB TRP A 97 -11.841 11.624 1.896 1.00 0.00 C ATOM 1522 CG TRP A 97 -13.259 11.592 2.382 1.00 0.00 C ATOM 1523 CD1 TRP A 97 -14.079 12.664 2.588 1.00 0.00 C ATOM 1524 CD2 TRP A 97 -14.021 10.429 2.725 1.00 0.00 C ATOM 1525 NE1 TRP A 97 -15.305 12.238 3.038 1.00 0.00 N ATOM 1526 CE2 TRP A 97 -15.295 10.872 3.130 1.00 0.00 C ATOM 1527 CE3 TRP A 97 -13.751 9.058 2.728 1.00 0.00 C ATOM 1528 CZ2 TRP A 97 -16.295 9.990 3.534 1.00 0.00 C ATOM 1529 CZ3 TRP A 97 -14.744 8.185 3.129 1.00 0.00 C ATOM 1530 CH2 TRP A 97 -16.004 8.653 3.527 1.00 0.00 C ATOM 0 H TRP A 97 -9.453 11.966 1.379 1.00 0.00 H new ATOM 0 HA TRP A 97 -11.168 13.276 3.094 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -11.797 12.186 0.963 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -11.518 10.607 1.671 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -13.804 13.695 2.422 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -16.095 12.842 3.267 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -12.784 8.687 2.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -17.266 10.349 3.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -14.546 7.123 3.136 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -16.759 7.945 3.834 1.00 0.00 H new ATOM 1541 N GLU A 98 -10.257 10.322 4.244 1.00 0.00 N ATOM 1542 CA GLU A 98 -10.225 9.491 5.442 1.00 0.00 C ATOM 1543 C GLU A 98 -10.133 10.351 6.699 1.00 0.00 C ATOM 1544 O GLU A 98 -10.820 10.098 7.688 1.00 0.00 O ATOM 1545 CB GLU A 98 -9.041 8.522 5.386 1.00 0.00 C ATOM 1546 CG GLU A 98 -9.288 7.217 6.124 1.00 0.00 C ATOM 1547 CD GLU A 98 -8.015 6.615 6.687 1.00 0.00 C ATOM 1548 OE1 GLU A 98 -6.966 6.712 6.015 1.00 0.00 O ATOM 1549 OE2 GLU A 98 -8.067 6.048 7.798 1.00 0.00 O ATOM 0 H GLU A 98 -9.738 9.942 3.453 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.152 8.919 5.481 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.811 8.302 4.343 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -8.163 9.009 5.810 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.993 7.391 6.937 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -9.754 6.503 5.445 1.00 0.00 H new