USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=16 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 -35:sc= -0.454 USER MOD Set 1.2: A 90 MET CE :methyl -152:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot 150:sc= -0.554 USER MOD Single : A 32 SER OG : rot 63:sc= 0.496 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot -150:sc= -0.368 USER MOD Single : A 49 HIS : no HD1:sc= -2.97! C(o=-3!,f=-4.2!) USER MOD Single : A 52 LYS NZ :NH3+ 164:sc=-0.00873 (180deg=-0.174) USER MOD Single : A 53 HIS : no HD1:sc= -1.76 K(o=-1.8,f=-0.23) USER MOD Single : A 56 ASN : amide:sc= -2.51 K(o=-2.5,f=-11!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.0221 K(o=-0.022,f=-1.1) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= -0.2 (180deg=-0.2) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.083) 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 74 THR OG1 : rot 170:sc= -0.738 USER MOD Single : A 75 ASN : amide:sc= -0.108 K(o=-0.11,f=-1.5!) USER MOD Single : A 78 SER OG : rot 87:sc= 0.197 USER MOD Single : A 82 TYR OH : rot 17:sc= 0.152 USER MOD Single : A 84 HIS : no HD1:sc= -0.307 X(o=-0.31,f=-0.0097) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -163:sc= 0 (180deg=-0.329) USER MOD Single : A 95 GLN : amide:sc=-0.00826 K(o=-0.0083,f=-1.3) USER MOD Single : A 96 GLN : amide:sc= -1.04 X(o=-1,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 269 N ASP A 21 -5.409 4.006 -8.634 1.00 0.00 N ATOM 270 CA ASP A 21 -6.437 3.205 -7.980 1.00 0.00 C ATOM 271 C ASP A 21 -5.815 2.213 -7.003 1.00 0.00 C ATOM 272 O ASP A 21 -4.748 1.656 -7.264 1.00 0.00 O ATOM 273 CB ASP A 21 -7.271 2.459 -9.022 1.00 0.00 C ATOM 274 CG ASP A 21 -8.445 3.279 -9.521 1.00 0.00 C ATOM 275 OD1 ASP A 21 -9.390 3.501 -8.735 1.00 0.00 O ATOM 276 OD2 ASP A 21 -8.418 3.700 -10.696 1.00 0.00 O ATOM 0 HA ASP A 21 -7.086 3.879 -7.420 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.636 2.189 -9.866 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.639 1.529 -8.590 1.00 0.00 H new ATOM 281 N TYR A 22 -6.487 1.998 -5.878 1.00 0.00 N ATOM 282 CA TYR A 22 -5.998 1.075 -4.860 1.00 0.00 C ATOM 283 C TYR A 22 -6.039 -0.364 -5.364 1.00 0.00 C ATOM 284 O TYR A 22 -5.256 -1.209 -4.929 1.00 0.00 O ATOM 285 CB TYR A 22 -6.829 1.204 -3.583 1.00 0.00 C ATOM 286 CG TYR A 22 -6.412 2.361 -2.703 1.00 0.00 C ATOM 287 CD1 TYR A 22 -6.296 3.646 -3.219 1.00 0.00 C ATOM 288 CD2 TYR A 22 -6.135 2.169 -1.355 1.00 0.00 C ATOM 289 CE1 TYR A 22 -5.915 4.705 -2.419 1.00 0.00 C ATOM 290 CE2 TYR A 22 -5.754 3.223 -0.547 1.00 0.00 C ATOM 291 CZ TYR A 22 -5.645 4.489 -1.084 1.00 0.00 C ATOM 292 OH TYR A 22 -5.266 5.542 -0.283 1.00 0.00 O ATOM 0 H TYR A 22 -7.372 2.450 -5.647 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.962 1.334 -4.639 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -7.878 1.324 -3.853 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -6.750 0.278 -3.013 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -6.507 3.819 -4.264 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.219 1.179 -0.932 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -5.829 5.697 -2.837 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.543 3.057 0.499 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.114 5.220 0.630 1.00 0.00 H new ATOM 302 N TYR A 23 -6.958 -0.635 -6.284 1.00 0.00 N ATOM 303 CA TYR A 23 -7.105 -1.972 -6.847 1.00 0.00 C ATOM 304 C TYR A 23 -5.914 -2.323 -7.734 1.00 0.00 C ATOM 305 O TYR A 23 -5.463 -3.469 -7.765 1.00 0.00 O ATOM 306 CB TYR A 23 -8.401 -2.070 -7.653 1.00 0.00 C ATOM 307 CG TYR A 23 -9.621 -2.349 -6.805 1.00 0.00 C ATOM 308 CD1 TYR A 23 -9.952 -3.647 -6.434 1.00 0.00 C ATOM 309 CD2 TYR A 23 -10.444 -1.315 -6.375 1.00 0.00 C ATOM 310 CE1 TYR A 23 -11.066 -3.907 -5.660 1.00 0.00 C ATOM 311 CE2 TYR A 23 -11.560 -1.566 -5.599 1.00 0.00 C ATOM 312 CZ TYR A 23 -11.867 -2.863 -5.245 1.00 0.00 C ATOM 313 OH TYR A 23 -12.977 -3.117 -4.473 1.00 0.00 O ATOM 0 H TYR A 23 -7.612 0.053 -6.656 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.144 -2.683 -6.022 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.552 -1.138 -8.197 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.298 -2.860 -8.397 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.327 -4.467 -6.757 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -10.208 -0.298 -6.652 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.309 -4.922 -5.381 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -12.188 -0.751 -5.272 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.431 -2.274 -4.265 1.00 0.00 H new ATOM 323 N THR A 24 -5.408 -1.328 -8.456 1.00 0.00 N ATOM 324 CA THR A 24 -4.270 -1.529 -9.344 1.00 0.00 C ATOM 325 C THR A 24 -3.002 -1.832 -8.554 1.00 0.00 C ATOM 326 O THR A 24 -2.258 -2.755 -8.886 1.00 0.00 O ATOM 327 CB THR A 24 -4.025 -0.294 -10.232 1.00 0.00 C ATOM 328 OG1 THR A 24 -5.188 -0.019 -11.021 1.00 0.00 O ATOM 329 CG2 THR A 24 -2.827 -0.512 -11.144 1.00 0.00 C ATOM 0 H THR A 24 -5.769 -0.374 -8.443 1.00 0.00 H new ATOM 0 HA THR A 24 -4.512 -2.382 -9.979 1.00 0.00 H new ATOM 0 HB THR A 24 -3.817 0.557 -9.583 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.025 0.768 -11.581 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.674 0.373 -11.761 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.938 -0.691 -10.540 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.010 -1.374 -11.785 1.00 0.00 H new ATOM 337 N LEU A 25 -2.762 -1.051 -7.507 1.00 0.00 N ATOM 338 CA LEU A 25 -1.583 -1.236 -6.668 1.00 0.00 C ATOM 339 C LEU A 25 -1.299 -2.719 -6.449 1.00 0.00 C ATOM 340 O LEU A 25 -0.155 -3.164 -6.553 1.00 0.00 O ATOM 341 CB LEU A 25 -1.777 -0.539 -5.320 1.00 0.00 C ATOM 342 CG LEU A 25 -2.246 0.915 -5.379 1.00 0.00 C ATOM 343 CD1 LEU A 25 -2.349 1.500 -3.978 1.00 0.00 C ATOM 344 CD2 LEU A 25 -1.304 1.746 -6.237 1.00 0.00 C ATOM 0 H LEU A 25 -3.368 -0.283 -7.218 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.730 -0.792 -7.180 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.501 -1.110 -4.739 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.833 -0.574 -4.776 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.236 0.938 -5.835 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.684 2.535 -4.040 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.064 0.921 -3.394 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.372 1.463 -3.496 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.654 2.778 -6.267 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.301 1.715 -5.811 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.281 1.341 -7.249 1.00 0.00 H new ATOM 356 N LEU A 26 -2.346 -3.479 -6.149 1.00 0.00 N ATOM 357 CA LEU A 26 -2.209 -4.913 -5.919 1.00 0.00 C ATOM 358 C LEU A 26 -2.603 -5.704 -7.162 1.00 0.00 C ATOM 359 O LEU A 26 -2.394 -6.915 -7.231 1.00 0.00 O ATOM 360 CB LEU A 26 -3.072 -5.343 -4.732 1.00 0.00 C ATOM 361 CG LEU A 26 -2.995 -4.456 -3.489 1.00 0.00 C ATOM 362 CD1 LEU A 26 -3.929 -4.972 -2.406 1.00 0.00 C ATOM 363 CD2 LEU A 26 -1.565 -4.385 -2.972 1.00 0.00 C ATOM 0 H LEU A 26 -3.299 -3.127 -6.059 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.163 -5.122 -5.695 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.111 -5.385 -5.060 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.786 -6.356 -4.449 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.312 -3.450 -3.764 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.860 -4.328 -1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.954 -4.971 -2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.644 -5.988 -2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.529 -3.750 -2.087 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.221 -5.387 -2.714 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.919 -3.968 -3.745 1.00 0.00 H new ATOM 375 N GLY A 27 -3.172 -5.011 -8.143 1.00 0.00 N ATOM 376 CA GLY A 27 -3.583 -5.665 -9.372 1.00 0.00 C ATOM 377 C GLY A 27 -4.713 -6.651 -9.153 1.00 0.00 C ATOM 378 O GLY A 27 -4.740 -7.720 -9.763 1.00 0.00 O ATOM 0 H GLY A 27 -3.356 -4.008 -8.109 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.897 -4.911 -10.094 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.729 -6.186 -9.806 1.00 0.00 H new ATOM 382 N CYS A 28 -5.648 -6.293 -8.280 1.00 0.00 N ATOM 383 CA CYS A 28 -6.785 -7.156 -7.980 1.00 0.00 C ATOM 384 C CYS A 28 -8.086 -6.534 -8.479 1.00 0.00 C ATOM 385 O CYS A 28 -8.087 -5.439 -9.041 1.00 0.00 O ATOM 386 CB CYS A 28 -6.874 -7.413 -6.475 1.00 0.00 C ATOM 387 SG CYS A 28 -7.330 -5.959 -5.503 1.00 0.00 S ATOM 0 H CYS A 28 -5.641 -5.411 -7.767 1.00 0.00 H new ATOM 0 HA CYS A 28 -6.635 -8.105 -8.495 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.605 -8.201 -6.295 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -5.912 -7.784 -6.123 1.00 0.00 H new ATOM 0 HG CYS A 28 -7.981 -6.333 -4.442 1.00 0.00 H new ATOM 393 N ASP A 29 -9.191 -7.242 -8.272 1.00 0.00 N ATOM 394 CA ASP A 29 -10.499 -6.760 -8.702 1.00 0.00 C ATOM 395 C ASP A 29 -11.563 -7.071 -7.654 1.00 0.00 C ATOM 396 O ASP A 29 -11.322 -7.833 -6.718 1.00 0.00 O ATOM 397 CB ASP A 29 -10.884 -7.392 -10.041 1.00 0.00 C ATOM 398 CG ASP A 29 -10.383 -8.816 -10.174 1.00 0.00 C ATOM 399 OD1 ASP A 29 -10.942 -9.708 -9.501 1.00 0.00 O ATOM 400 OD2 ASP A 29 -9.433 -9.040 -10.953 1.00 0.00 O ATOM 0 H ASP A 29 -9.207 -8.151 -7.809 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.439 -5.678 -8.824 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -11.969 -7.380 -10.146 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.478 -6.790 -10.854 1.00 0.00 H new ATOM 405 N GLU A 30 -12.740 -6.475 -7.819 1.00 0.00 N ATOM 406 CA GLU A 30 -13.840 -6.687 -6.885 1.00 0.00 C ATOM 407 C GLU A 30 -14.180 -8.171 -6.773 1.00 0.00 C ATOM 408 O GLU A 30 -14.814 -8.603 -5.810 1.00 0.00 O ATOM 409 CB GLU A 30 -15.075 -5.902 -7.331 1.00 0.00 C ATOM 410 CG GLU A 30 -15.498 -6.194 -8.761 1.00 0.00 C ATOM 411 CD GLU A 30 -16.931 -5.782 -9.041 1.00 0.00 C ATOM 412 OE1 GLU A 30 -17.188 -4.565 -9.149 1.00 0.00 O ATOM 413 OE2 GLU A 30 -17.794 -6.677 -9.152 1.00 0.00 O ATOM 0 H GLU A 30 -12.956 -5.843 -8.589 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.525 -6.329 -5.905 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.903 -6.133 -6.662 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.873 -4.836 -7.231 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.833 -5.670 -9.447 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.385 -7.260 -8.959 1.00 0.00 H new ATOM 420 N LEU A 31 -13.755 -8.945 -7.765 1.00 0.00 N ATOM 421 CA LEU A 31 -14.014 -10.381 -7.780 1.00 0.00 C ATOM 422 C LEU A 31 -13.057 -11.117 -6.848 1.00 0.00 C ATOM 423 O LEU A 31 -13.447 -12.059 -6.159 1.00 0.00 O ATOM 424 CB LEU A 31 -13.881 -10.929 -9.202 1.00 0.00 C ATOM 425 CG LEU A 31 -15.089 -10.723 -10.116 1.00 0.00 C ATOM 426 CD1 LEU A 31 -14.742 -11.092 -11.550 1.00 0.00 C ATOM 427 CD2 LEU A 31 -16.275 -11.542 -9.625 1.00 0.00 C ATOM 0 H LEU A 31 -13.230 -8.603 -8.570 1.00 0.00 H new ATOM 0 HA LEU A 31 -15.033 -10.545 -7.428 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -13.013 -10.464 -9.670 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -13.675 -11.998 -9.140 1.00 0.00 H new ATOM 0 HG LEU A 31 -15.365 -9.669 -10.090 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -15.614 -10.939 -12.186 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -13.923 -10.463 -11.899 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -14.440 -12.138 -11.594 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -17.126 -11.383 -10.287 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -16.010 -12.599 -9.621 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -16.539 -11.230 -8.614 1.00 0.00 H new ATOM 439 N SER A 32 -11.802 -10.677 -6.829 1.00 0.00 N ATOM 440 CA SER A 32 -10.788 -11.295 -5.983 1.00 0.00 C ATOM 441 C SER A 32 -11.116 -11.092 -4.507 1.00 0.00 C ATOM 442 O SER A 32 -11.771 -10.119 -4.133 1.00 0.00 O ATOM 443 CB SER A 32 -9.409 -10.713 -6.295 1.00 0.00 C ATOM 444 OG SER A 32 -9.017 -11.015 -7.623 1.00 0.00 O ATOM 0 H SER A 32 -11.464 -9.895 -7.390 1.00 0.00 H new ATOM 0 HA SER A 32 -10.778 -12.365 -6.192 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.427 -9.632 -6.154 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.675 -11.113 -5.596 1.00 0.00 H new ATOM 0 HG SER A 32 -9.640 -10.594 -8.252 1.00 0.00 H new ATOM 450 N SER A 33 -10.655 -12.017 -3.672 1.00 0.00 N ATOM 451 CA SER A 33 -10.901 -11.943 -2.236 1.00 0.00 C ATOM 452 C SER A 33 -9.603 -11.694 -1.474 1.00 0.00 C ATOM 453 O SER A 33 -8.510 -11.845 -2.021 1.00 0.00 O ATOM 454 CB SER A 33 -11.556 -13.235 -1.742 1.00 0.00 C ATOM 455 OG SER A 33 -12.957 -13.209 -1.953 1.00 0.00 O ATOM 0 H SER A 33 -10.109 -12.827 -3.965 1.00 0.00 H new ATOM 0 HA SER A 33 -11.576 -11.108 -2.051 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.122 -14.089 -2.263 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.347 -13.370 -0.681 1.00 0.00 H new ATOM 0 HG SER A 33 -13.352 -14.046 -1.631 1.00 0.00 H new ATOM 461 N VAL A 34 -9.732 -11.311 -0.208 1.00 0.00 N ATOM 462 CA VAL A 34 -8.570 -11.041 0.631 1.00 0.00 C ATOM 463 C VAL A 34 -7.556 -12.176 0.546 1.00 0.00 C ATOM 464 O VAL A 34 -6.351 -11.954 0.660 1.00 0.00 O ATOM 465 CB VAL A 34 -8.976 -10.840 2.103 1.00 0.00 C ATOM 466 CG1 VAL A 34 -9.748 -12.046 2.615 1.00 0.00 C ATOM 467 CG2 VAL A 34 -7.748 -10.578 2.963 1.00 0.00 C ATOM 0 H VAL A 34 -10.629 -11.181 0.259 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.116 -10.123 0.258 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.628 -9.969 2.166 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -10.026 -11.885 3.657 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -10.648 -12.183 2.016 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.124 -12.936 2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.053 -10.438 4.000 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.069 -11.428 2.896 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.241 -9.680 2.610 1.00 0.00 H new ATOM 477 N GLU A 35 -8.052 -13.393 0.344 1.00 0.00 N ATOM 478 CA GLU A 35 -7.188 -14.563 0.243 1.00 0.00 C ATOM 479 C GLU A 35 -6.269 -14.458 -0.971 1.00 0.00 C ATOM 480 O GLU A 35 -5.115 -14.885 -0.927 1.00 0.00 O ATOM 481 CB GLU A 35 -8.027 -15.838 0.152 1.00 0.00 C ATOM 482 CG GLU A 35 -8.532 -16.333 1.497 1.00 0.00 C ATOM 483 CD GLU A 35 -9.195 -17.693 1.408 1.00 0.00 C ATOM 484 OE1 GLU A 35 -9.738 -18.018 0.331 1.00 0.00 O ATOM 485 OE2 GLU A 35 -9.172 -18.433 2.414 1.00 0.00 O ATOM 0 H GLU A 35 -9.047 -13.594 0.247 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.572 -14.606 1.141 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.880 -15.655 -0.502 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.431 -16.623 -0.314 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.698 -16.385 2.197 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.243 -15.612 1.901 1.00 0.00 H new ATOM 492 N GLN A 36 -6.789 -13.886 -2.052 1.00 0.00 N ATOM 493 CA GLN A 36 -6.016 -13.727 -3.278 1.00 0.00 C ATOM 494 C GLN A 36 -5.214 -12.430 -3.250 1.00 0.00 C ATOM 495 O GLN A 36 -4.015 -12.425 -3.531 1.00 0.00 O ATOM 496 CB GLN A 36 -6.942 -13.741 -4.495 1.00 0.00 C ATOM 497 CG GLN A 36 -7.276 -15.140 -4.989 1.00 0.00 C ATOM 498 CD GLN A 36 -6.181 -15.730 -5.856 1.00 0.00 C ATOM 499 OE1 GLN A 36 -5.171 -16.221 -5.351 1.00 0.00 O ATOM 500 NE2 GLN A 36 -6.376 -15.684 -7.168 1.00 0.00 N ATOM 0 H GLN A 36 -7.742 -13.525 -2.104 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.320 -14.563 -3.350 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.867 -13.223 -4.243 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.473 -13.181 -5.304 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.447 -15.792 -4.133 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.206 -15.108 -5.557 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.228 -15.268 -7.543 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.673 -16.065 -7.802 1.00 0.00 H new ATOM 509 N ILE A 37 -5.882 -11.333 -2.910 1.00 0.00 N ATOM 510 CA ILE A 37 -5.231 -10.031 -2.846 1.00 0.00 C ATOM 511 C ILE A 37 -3.919 -10.111 -2.073 1.00 0.00 C ATOM 512 O ILE A 37 -2.875 -9.663 -2.551 1.00 0.00 O ATOM 513 CB ILE A 37 -6.140 -8.979 -2.184 1.00 0.00 C ATOM 514 CG1 ILE A 37 -7.400 -8.761 -3.024 1.00 0.00 C ATOM 515 CG2 ILE A 37 -5.387 -7.670 -1.999 1.00 0.00 C ATOM 516 CD1 ILE A 37 -8.504 -8.040 -2.282 1.00 0.00 C ATOM 0 H ILE A 37 -6.874 -11.320 -2.675 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.028 -9.729 -3.873 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.440 -9.345 -1.202 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -7.139 -8.190 -3.915 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.772 -9.728 -3.363 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.043 -6.936 -1.530 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.517 -7.837 -1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.061 -7.297 -2.970 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.366 -7.920 -2.939 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.793 -8.621 -1.406 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.150 -7.059 -1.966 1.00 0.00 H new ATOM 528 N LEU A 38 -3.977 -10.686 -0.877 1.00 0.00 N ATOM 529 CA LEU A 38 -2.792 -10.827 -0.037 1.00 0.00 C ATOM 530 C LEU A 38 -1.615 -11.369 -0.842 1.00 0.00 C ATOM 531 O LEU A 38 -0.597 -10.696 -1.002 1.00 0.00 O ATOM 532 CB LEU A 38 -3.087 -11.754 1.143 1.00 0.00 C ATOM 533 CG LEU A 38 -3.854 -11.131 2.310 1.00 0.00 C ATOM 534 CD1 LEU A 38 -4.297 -12.205 3.292 1.00 0.00 C ATOM 535 CD2 LEU A 38 -3.000 -10.084 3.012 1.00 0.00 C ATOM 0 H LEU A 38 -4.832 -11.062 -0.467 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.526 -9.840 0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.656 -12.608 0.775 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.141 -12.140 1.521 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.743 -10.640 1.914 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.841 -11.743 4.116 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.946 -12.918 2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.422 -12.725 3.682 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.562 -9.651 3.840 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.093 -10.551 3.395 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.733 -9.299 2.305 1.00 0.00 H new ATOM 547 N ALA A 39 -1.764 -12.588 -1.350 1.00 0.00 N ATOM 548 CA ALA A 39 -0.715 -13.218 -2.142 1.00 0.00 C ATOM 549 C ALA A 39 -0.036 -12.206 -3.058 1.00 0.00 C ATOM 550 O ALA A 39 1.185 -12.051 -3.029 1.00 0.00 O ATOM 551 CB ALA A 39 -1.289 -14.369 -2.956 1.00 0.00 C ATOM 0 H ALA A 39 -2.601 -13.159 -1.227 1.00 0.00 H new ATOM 0 HA ALA A 39 0.037 -13.611 -1.458 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.495 -14.831 -3.543 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.721 -15.110 -2.284 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.062 -13.991 -3.625 1.00 0.00 H new ATOM 557 N GLU A 40 -0.834 -11.521 -3.871 1.00 0.00 N ATOM 558 CA GLU A 40 -0.308 -10.525 -4.796 1.00 0.00 C ATOM 559 C GLU A 40 0.428 -9.419 -4.045 1.00 0.00 C ATOM 560 O GLU A 40 1.489 -8.962 -4.472 1.00 0.00 O ATOM 561 CB GLU A 40 -1.440 -9.923 -5.630 1.00 0.00 C ATOM 562 CG GLU A 40 -2.090 -10.915 -6.581 1.00 0.00 C ATOM 563 CD GLU A 40 -2.642 -10.252 -7.828 1.00 0.00 C ATOM 564 OE1 GLU A 40 -1.873 -9.545 -8.513 1.00 0.00 O ATOM 565 OE2 GLU A 40 -3.841 -10.440 -8.120 1.00 0.00 O ATOM 0 H GLU A 40 -1.847 -11.638 -3.908 1.00 0.00 H new ATOM 0 HA GLU A 40 0.399 -11.022 -5.460 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.201 -9.523 -4.960 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.049 -9.084 -6.205 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.358 -11.670 -6.869 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.896 -11.434 -6.063 1.00 0.00 H new ATOM 572 N PHE A 41 -0.143 -8.993 -2.923 1.00 0.00 N ATOM 573 CA PHE A 41 0.457 -7.940 -2.112 1.00 0.00 C ATOM 574 C PHE A 41 1.838 -8.357 -1.613 1.00 0.00 C ATOM 575 O PHE A 41 2.739 -7.530 -1.480 1.00 0.00 O ATOM 576 CB PHE A 41 -0.447 -7.604 -0.924 1.00 0.00 C ATOM 577 CG PHE A 41 0.282 -6.961 0.221 1.00 0.00 C ATOM 578 CD1 PHE A 41 0.742 -5.658 0.122 1.00 0.00 C ATOM 579 CD2 PHE A 41 0.508 -7.660 1.396 1.00 0.00 C ATOM 580 CE1 PHE A 41 1.413 -5.063 1.175 1.00 0.00 C ATOM 581 CE2 PHE A 41 1.178 -7.071 2.451 1.00 0.00 C ATOM 582 CZ PHE A 41 1.632 -5.771 2.340 1.00 0.00 C ATOM 0 H PHE A 41 -1.020 -9.361 -2.555 1.00 0.00 H new ATOM 0 HA PHE A 41 0.568 -7.054 -2.737 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.241 -6.937 -1.259 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.926 -8.518 -0.572 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.575 -5.100 -0.788 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.156 -8.677 1.488 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.765 -4.046 1.086 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.347 -7.626 3.362 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.157 -5.309 3.163 1.00 0.00 H new ATOM 592 N LYS A 42 1.995 -9.648 -1.338 1.00 0.00 N ATOM 593 CA LYS A 42 3.264 -10.178 -0.854 1.00 0.00 C ATOM 594 C LYS A 42 4.320 -10.151 -1.955 1.00 0.00 C ATOM 595 O LYS A 42 5.384 -9.553 -1.794 1.00 0.00 O ATOM 596 CB LYS A 42 3.081 -11.609 -0.343 1.00 0.00 C ATOM 597 CG LYS A 42 2.336 -11.692 0.978 1.00 0.00 C ATOM 598 CD LYS A 42 1.590 -13.009 1.115 1.00 0.00 C ATOM 599 CE LYS A 42 0.931 -13.136 2.480 1.00 0.00 C ATOM 600 NZ LYS A 42 1.899 -13.572 3.525 1.00 0.00 N ATOM 0 H LYS A 42 1.259 -10.346 -1.442 1.00 0.00 H new ATOM 0 HA LYS A 42 3.604 -9.546 -0.033 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.540 -12.187 -1.092 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.061 -12.073 -0.228 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.041 -11.585 1.802 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.631 -10.864 1.052 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.832 -13.082 0.335 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.282 -13.838 0.965 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.497 -12.177 2.764 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.112 -13.852 2.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.411 -13.647 4.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.295 -14.499 3.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.668 -12.876 3.598 1.00 0.00 H new ATOM 614 N VAL A 43 4.018 -10.801 -3.074 1.00 0.00 N ATOM 615 CA VAL A 43 4.940 -10.850 -4.203 1.00 0.00 C ATOM 616 C VAL A 43 5.239 -9.450 -4.729 1.00 0.00 C ATOM 617 O VAL A 43 6.392 -9.106 -4.987 1.00 0.00 O ATOM 618 CB VAL A 43 4.378 -11.709 -5.351 1.00 0.00 C ATOM 619 CG1 VAL A 43 4.338 -13.176 -4.950 1.00 0.00 C ATOM 620 CG2 VAL A 43 2.994 -11.220 -5.753 1.00 0.00 C ATOM 0 H VAL A 43 3.142 -11.301 -3.223 1.00 0.00 H new ATOM 0 HA VAL A 43 5.862 -11.303 -3.839 1.00 0.00 H new ATOM 0 HB VAL A 43 5.038 -11.610 -6.213 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.938 -13.768 -5.774 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.346 -13.517 -4.715 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.701 -13.296 -4.074 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.612 -11.838 -6.565 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.322 -11.288 -4.898 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.056 -10.183 -6.084 1.00 0.00 H new ATOM 630 N ARG A 44 4.192 -8.647 -4.885 1.00 0.00 N ATOM 631 CA ARG A 44 4.341 -7.284 -5.381 1.00 0.00 C ATOM 632 C ARG A 44 5.189 -6.448 -4.426 1.00 0.00 C ATOM 633 O ARG A 44 5.990 -5.619 -4.856 1.00 0.00 O ATOM 634 CB ARG A 44 2.970 -6.633 -5.566 1.00 0.00 C ATOM 635 CG ARG A 44 2.275 -7.031 -6.858 1.00 0.00 C ATOM 636 CD ARG A 44 1.000 -6.232 -7.075 1.00 0.00 C ATOM 637 NE ARG A 44 0.651 -6.132 -8.490 1.00 0.00 N ATOM 638 CZ ARG A 44 1.404 -5.509 -9.390 1.00 0.00 C ATOM 639 NH1 ARG A 44 2.541 -4.934 -9.025 1.00 0.00 N ATOM 640 NH2 ARG A 44 1.018 -5.460 -10.659 1.00 0.00 N ATOM 0 H ARG A 44 3.231 -8.917 -4.675 1.00 0.00 H new ATOM 0 HA ARG A 44 4.847 -7.328 -6.345 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.333 -6.902 -4.723 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.086 -5.549 -5.545 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.951 -6.875 -7.699 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.039 -8.095 -6.832 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.180 -6.703 -6.532 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.124 -5.232 -6.661 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.218 -6.564 -8.804 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.840 -4.969 -8.051 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.117 -4.457 -9.719 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.143 -5.901 -10.943 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.596 -4.982 -11.350 1.00 0.00 H new ATOM 654 N ALA A 45 5.006 -6.673 -3.129 1.00 0.00 N ATOM 655 CA ALA A 45 5.754 -5.942 -2.115 1.00 0.00 C ATOM 656 C ALA A 45 7.203 -6.412 -2.056 1.00 0.00 C ATOM 657 O ALA A 45 8.125 -5.604 -1.939 1.00 0.00 O ATOM 658 CB ALA A 45 5.091 -6.099 -0.754 1.00 0.00 C ATOM 0 H ALA A 45 4.346 -7.356 -2.756 1.00 0.00 H new ATOM 0 HA ALA A 45 5.752 -4.887 -2.389 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.661 -5.548 -0.006 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.075 -5.708 -0.797 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.062 -7.154 -0.483 1.00 0.00 H new ATOM 664 N LEU A 46 7.398 -7.724 -2.137 1.00 0.00 N ATOM 665 CA LEU A 46 8.737 -8.302 -2.092 1.00 0.00 C ATOM 666 C LEU A 46 9.565 -7.852 -3.292 1.00 0.00 C ATOM 667 O LEU A 46 10.660 -7.313 -3.134 1.00 0.00 O ATOM 668 CB LEU A 46 8.653 -9.829 -2.061 1.00 0.00 C ATOM 669 CG LEU A 46 8.139 -10.447 -0.760 1.00 0.00 C ATOM 670 CD1 LEU A 46 7.622 -11.856 -1.005 1.00 0.00 C ATOM 671 CD2 LEU A 46 9.236 -10.455 0.296 1.00 0.00 C ATOM 0 H LEU A 46 6.647 -8.407 -2.234 1.00 0.00 H new ATOM 0 HA LEU A 46 9.227 -7.952 -1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.005 -10.154 -2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.645 -10.232 -2.264 1.00 0.00 H new ATOM 0 HG LEU A 46 7.313 -9.838 -0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.261 -12.279 -0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.806 -11.824 -1.727 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.428 -12.477 -1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.853 -10.898 1.215 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.083 -11.040 -0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.559 -9.433 0.493 1.00 0.00 H new ATOM 683 N GLU A 47 9.033 -8.075 -4.489 1.00 0.00 N ATOM 684 CA GLU A 47 9.723 -7.691 -5.715 1.00 0.00 C ATOM 685 C GLU A 47 10.085 -6.208 -5.693 1.00 0.00 C ATOM 686 O GLU A 47 11.124 -5.804 -6.216 1.00 0.00 O ATOM 687 CB GLU A 47 8.852 -7.996 -6.935 1.00 0.00 C ATOM 688 CG GLU A 47 8.833 -9.467 -7.317 1.00 0.00 C ATOM 689 CD GLU A 47 10.083 -9.891 -8.063 1.00 0.00 C ATOM 690 OE1 GLU A 47 10.447 -9.211 -9.045 1.00 0.00 O ATOM 691 OE2 GLU A 47 10.697 -10.904 -7.666 1.00 0.00 O ATOM 0 H GLU A 47 8.127 -8.519 -4.636 1.00 0.00 H new ATOM 0 HA GLU A 47 10.643 -8.272 -5.781 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.832 -7.668 -6.734 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.212 -7.414 -7.783 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.729 -10.071 -6.416 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.959 -9.667 -7.937 1.00 0.00 H new ATOM 698 N CYS A 48 9.221 -5.403 -5.085 1.00 0.00 N ATOM 699 CA CYS A 48 9.448 -3.965 -4.996 1.00 0.00 C ATOM 700 C CYS A 48 9.684 -3.541 -3.550 1.00 0.00 C ATOM 701 O CYS A 48 9.208 -2.492 -3.114 1.00 0.00 O ATOM 702 CB CYS A 48 8.256 -3.203 -5.575 1.00 0.00 C ATOM 703 SG CYS A 48 8.069 -3.376 -7.365 1.00 0.00 S ATOM 0 H CYS A 48 8.357 -5.721 -4.646 1.00 0.00 H new ATOM 0 HA CYS A 48 10.339 -3.726 -5.576 1.00 0.00 H new ATOM 0 HB2 CYS A 48 7.345 -3.552 -5.090 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.361 -2.146 -5.332 1.00 0.00 H new ATOM 0 HG CYS A 48 7.520 -2.302 -7.850 1.00 0.00 H new ATOM 709 N HIS A 49 10.422 -4.363 -2.810 1.00 0.00 N ATOM 710 CA HIS A 49 10.720 -4.074 -1.412 1.00 0.00 C ATOM 711 C HIS A 49 11.935 -3.158 -1.295 1.00 0.00 C ATOM 712 O HIS A 49 12.915 -3.289 -2.028 1.00 0.00 O ATOM 713 CB HIS A 49 10.969 -5.371 -0.642 1.00 0.00 C ATOM 714 CG HIS A 49 10.582 -5.294 0.802 1.00 0.00 C ATOM 715 ND1 HIS A 49 11.503 -5.275 1.828 1.00 0.00 N ATOM 716 CD2 HIS A 49 9.364 -5.230 1.390 1.00 0.00 C ATOM 717 CE1 HIS A 49 10.868 -5.204 2.985 1.00 0.00 C ATOM 718 NE2 HIS A 49 9.569 -5.175 2.747 1.00 0.00 N ATOM 0 H HIS A 49 10.824 -5.234 -3.155 1.00 0.00 H new ATOM 0 HA HIS A 49 9.859 -3.565 -0.980 1.00 0.00 H new ATOM 0 HB2 HIS A 49 10.411 -6.178 -1.117 1.00 0.00 H new ATOM 0 HB3 HIS A 49 12.026 -5.629 -0.713 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.409 -5.223 0.886 1.00 0.00 H new ATOM 0 HE1 HIS A 49 11.332 -5.175 3.960 1.00 0.00 H new ATOM 0 HE2 HIS A 49 8.837 -5.121 3.456 1.00 0.00 H new ATOM 726 N PRO A 50 11.870 -2.207 -0.351 1.00 0.00 N ATOM 727 CA PRO A 50 12.956 -1.250 -0.115 1.00 0.00 C ATOM 728 C PRO A 50 14.188 -1.910 0.495 1.00 0.00 C ATOM 729 O PRO A 50 15.309 -1.705 0.029 1.00 0.00 O ATOM 730 CB PRO A 50 12.342 -0.252 0.869 1.00 0.00 C ATOM 731 CG PRO A 50 11.274 -1.018 1.569 1.00 0.00 C ATOM 732 CD PRO A 50 10.733 -1.993 0.560 1.00 0.00 C ATOM 0 HA PRO A 50 13.307 -0.795 -1.041 1.00 0.00 H new ATOM 0 HB2 PRO A 50 13.087 0.120 1.572 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.932 0.614 0.350 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.674 -1.539 2.439 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.489 -0.353 1.929 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.415 -2.923 1.031 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.868 -1.589 0.035 1.00 0.00 H new ATOM 740 N ASP A 51 13.973 -2.704 1.538 1.00 0.00 N ATOM 741 CA ASP A 51 15.066 -3.395 2.211 1.00 0.00 C ATOM 742 C ASP A 51 15.861 -4.244 1.224 1.00 0.00 C ATOM 743 O ASP A 51 17.092 -4.249 1.244 1.00 0.00 O ATOM 744 CB ASP A 51 14.524 -4.276 3.338 1.00 0.00 C ATOM 745 CG ASP A 51 14.212 -3.483 4.592 1.00 0.00 C ATOM 746 OD1 ASP A 51 14.850 -2.431 4.803 1.00 0.00 O ATOM 747 OD2 ASP A 51 13.329 -3.915 5.364 1.00 0.00 O ATOM 0 H ASP A 51 13.051 -2.885 1.936 1.00 0.00 H new ATOM 0 HA ASP A 51 15.731 -2.643 2.636 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.621 -4.782 2.997 1.00 0.00 H new ATOM 0 HB3 ASP A 51 15.254 -5.050 3.573 1.00 0.00 H new ATOM 752 N LYS A 52 15.150 -4.962 0.362 1.00 0.00 N ATOM 753 CA LYS A 52 15.788 -5.816 -0.634 1.00 0.00 C ATOM 754 C LYS A 52 16.628 -4.988 -1.601 1.00 0.00 C ATOM 755 O LYS A 52 17.754 -5.359 -1.935 1.00 0.00 O ATOM 756 CB LYS A 52 14.732 -6.608 -1.408 1.00 0.00 C ATOM 757 CG LYS A 52 14.379 -7.939 -0.767 1.00 0.00 C ATOM 758 CD LYS A 52 13.481 -7.754 0.444 1.00 0.00 C ATOM 759 CE LYS A 52 13.393 -9.026 1.272 1.00 0.00 C ATOM 760 NZ LYS A 52 14.667 -9.312 1.988 1.00 0.00 N ATOM 0 H LYS A 52 14.130 -4.970 0.333 1.00 0.00 H new ATOM 0 HA LYS A 52 16.445 -6.512 -0.113 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.828 -6.005 -1.494 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.094 -6.787 -2.421 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.879 -8.575 -1.498 1.00 0.00 H new ATOM 0 HG3 LYS A 52 15.292 -8.454 -0.469 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.865 -6.942 1.062 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.483 -7.462 0.117 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.583 -8.933 1.995 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.145 -9.866 0.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.494 -10.012 2.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.366 -9.689 1.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.032 -8.435 2.411 1.00 0.00 H new ATOM 774 N HIS A 53 16.075 -3.865 -2.047 1.00 0.00 N ATOM 775 CA HIS A 53 16.776 -2.984 -2.975 1.00 0.00 C ATOM 776 C HIS A 53 16.991 -1.605 -2.357 1.00 0.00 C ATOM 777 O HIS A 53 16.271 -0.649 -2.647 1.00 0.00 O ATOM 778 CB HIS A 53 15.990 -2.854 -4.280 1.00 0.00 C ATOM 779 CG HIS A 53 15.419 -4.150 -4.766 1.00 0.00 C ATOM 780 ND1 HIS A 53 15.805 -4.746 -5.948 1.00 0.00 N ATOM 781 CD2 HIS A 53 14.486 -4.966 -4.222 1.00 0.00 C ATOM 782 CE1 HIS A 53 15.133 -5.872 -6.111 1.00 0.00 C ATOM 783 NE2 HIS A 53 14.326 -6.029 -5.077 1.00 0.00 N ATOM 0 H HIS A 53 15.144 -3.543 -1.781 1.00 0.00 H new ATOM 0 HA HIS A 53 17.750 -3.423 -3.189 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.179 -2.140 -4.137 1.00 0.00 H new ATOM 0 HB3 HIS A 53 16.644 -2.443 -5.049 1.00 0.00 H new ATOM 0 HD2 HIS A 53 13.964 -4.810 -3.289 1.00 0.00 H new ATOM 0 HE1 HIS A 53 15.227 -6.549 -6.947 1.00 0.00 H new ATOM 0 HE2 HIS A 53 13.688 -6.812 -4.936 1.00 0.00 H new ATOM 791 N PRO A 54 18.004 -1.498 -1.485 1.00 0.00 N ATOM 792 CA PRO A 54 18.337 -0.241 -0.808 1.00 0.00 C ATOM 793 C PRO A 54 18.920 0.795 -1.764 1.00 0.00 C ATOM 794 O PRO A 54 19.153 1.941 -1.383 1.00 0.00 O ATOM 795 CB PRO A 54 19.382 -0.661 0.228 1.00 0.00 C ATOM 796 CG PRO A 54 19.998 -1.896 -0.335 1.00 0.00 C ATOM 797 CD PRO A 54 18.904 -2.596 -1.093 1.00 0.00 C ATOM 0 HA PRO A 54 17.457 0.235 -0.376 1.00 0.00 H new ATOM 0 HB2 PRO A 54 20.127 0.120 0.378 1.00 0.00 H new ATOM 0 HB3 PRO A 54 18.923 -0.854 1.198 1.00 0.00 H new ATOM 0 HG2 PRO A 54 20.833 -1.651 -0.992 1.00 0.00 H new ATOM 0 HG3 PRO A 54 20.392 -2.532 0.458 1.00 0.00 H new ATOM 0 HD2 PRO A 54 19.293 -3.126 -1.962 1.00 0.00 H new ATOM 0 HD3 PRO A 54 18.393 -3.332 -0.473 1.00 0.00 H new ATOM 805 N GLU A 55 19.154 0.383 -3.006 1.00 0.00 N ATOM 806 CA GLU A 55 19.710 1.276 -4.015 1.00 0.00 C ATOM 807 C GLU A 55 18.659 2.271 -4.500 1.00 0.00 C ATOM 808 O GLU A 55 18.892 3.479 -4.512 1.00 0.00 O ATOM 809 CB GLU A 55 20.252 0.471 -5.198 1.00 0.00 C ATOM 810 CG GLU A 55 21.592 -0.189 -4.922 1.00 0.00 C ATOM 811 CD GLU A 55 22.036 -1.101 -6.049 1.00 0.00 C ATOM 812 OE1 GLU A 55 21.361 -2.126 -6.282 1.00 0.00 O ATOM 813 OE2 GLU A 55 23.057 -0.791 -6.698 1.00 0.00 O ATOM 0 H GLU A 55 18.967 -0.563 -3.337 1.00 0.00 H new ATOM 0 HA GLU A 55 20.529 1.833 -3.559 1.00 0.00 H new ATOM 0 HB2 GLU A 55 19.527 -0.297 -5.467 1.00 0.00 H new ATOM 0 HB3 GLU A 55 20.352 1.131 -6.060 1.00 0.00 H new ATOM 0 HG2 GLU A 55 22.347 0.582 -4.764 1.00 0.00 H new ATOM 0 HG3 GLU A 55 21.526 -0.764 -3.999 1.00 0.00 H new ATOM 820 N ASN A 56 17.503 1.752 -4.900 1.00 0.00 N ATOM 821 CA ASN A 56 16.416 2.593 -5.388 1.00 0.00 C ATOM 822 C ASN A 56 15.552 3.090 -4.233 1.00 0.00 C ATOM 823 O ASN A 56 14.845 2.322 -3.580 1.00 0.00 O ATOM 824 CB ASN A 56 15.555 1.820 -6.389 1.00 0.00 C ATOM 825 CG ASN A 56 15.362 0.371 -5.987 1.00 0.00 C ATOM 826 OD1 ASN A 56 15.445 0.026 -4.809 1.00 0.00 O ATOM 827 ND2 ASN A 56 15.102 -0.485 -6.969 1.00 0.00 N ATOM 0 H ASN A 56 17.295 0.754 -4.896 1.00 0.00 H new ATOM 0 HA ASN A 56 16.854 3.457 -5.888 1.00 0.00 H new ATOM 0 HB2 ASN A 56 14.582 2.303 -6.476 1.00 0.00 H new ATOM 0 HB3 ASN A 56 16.021 1.862 -7.374 1.00 0.00 H new ATOM 0 HD21 ASN A 56 14.962 -1.474 -6.760 1.00 0.00 H new ATOM 0 HD22 ASN A 56 15.042 -0.154 -7.932 1.00 0.00 H new ATOM 834 N PRO A 57 15.608 4.405 -3.975 1.00 0.00 N ATOM 835 CA PRO A 57 14.836 5.033 -2.899 1.00 0.00 C ATOM 836 C PRO A 57 13.340 5.056 -3.195 1.00 0.00 C ATOM 837 O PRO A 57 12.517 5.129 -2.283 1.00 0.00 O ATOM 838 CB PRO A 57 15.393 6.458 -2.849 1.00 0.00 C ATOM 839 CG PRO A 57 15.924 6.706 -4.218 1.00 0.00 C ATOM 840 CD PRO A 57 16.429 5.379 -4.713 1.00 0.00 C ATOM 0 HA PRO A 57 14.931 4.490 -1.959 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.616 7.178 -2.589 1.00 0.00 H new ATOM 0 HB3 PRO A 57 16.177 6.550 -2.098 1.00 0.00 H new ATOM 0 HG2 PRO A 57 15.146 7.097 -4.874 1.00 0.00 H new ATOM 0 HG3 PRO A 57 16.725 7.445 -4.198 1.00 0.00 H new ATOM 0 HD2 PRO A 57 16.302 5.277 -5.791 1.00 0.00 H new ATOM 0 HD3 PRO A 57 17.491 5.250 -4.504 1.00 0.00 H new ATOM 848 N LYS A 58 12.995 4.993 -4.477 1.00 0.00 N ATOM 849 CA LYS A 58 11.598 5.005 -4.895 1.00 0.00 C ATOM 850 C LYS A 58 10.856 3.792 -4.344 1.00 0.00 C ATOM 851 O LYS A 58 9.712 3.901 -3.902 1.00 0.00 O ATOM 852 CB LYS A 58 11.502 5.025 -6.422 1.00 0.00 C ATOM 853 CG LYS A 58 11.480 6.424 -7.012 1.00 0.00 C ATOM 854 CD LYS A 58 12.848 7.082 -6.940 1.00 0.00 C ATOM 855 CE LYS A 58 12.878 8.393 -7.710 1.00 0.00 C ATOM 856 NZ LYS A 58 14.082 9.204 -7.379 1.00 0.00 N ATOM 0 H LYS A 58 13.664 4.933 -5.245 1.00 0.00 H new ATOM 0 HA LYS A 58 11.132 5.906 -4.496 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.348 4.478 -6.838 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.599 4.497 -6.728 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.152 6.377 -8.051 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.753 7.034 -6.476 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.110 7.265 -5.898 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.600 6.405 -7.344 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.863 8.186 -8.780 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.980 8.968 -7.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.065 10.089 -7.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.084 9.424 -6.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 14.939 8.666 -7.619 1.00 0.00 H new ATOM 870 N ALA A 59 11.513 2.638 -4.373 1.00 0.00 N ATOM 871 CA ALA A 59 10.916 1.405 -3.873 1.00 0.00 C ATOM 872 C ALA A 59 10.097 1.664 -2.613 1.00 0.00 C ATOM 873 O ALA A 59 8.923 1.300 -2.538 1.00 0.00 O ATOM 874 CB ALA A 59 11.996 0.369 -3.599 1.00 0.00 C ATOM 0 H ALA A 59 12.460 2.530 -4.738 1.00 0.00 H new ATOM 0 HA ALA A 59 10.244 1.019 -4.639 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.536 -0.546 -3.226 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.536 0.154 -4.521 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.690 0.756 -2.853 1.00 0.00 H new ATOM 880 N VAL A 60 10.723 2.294 -1.624 1.00 0.00 N ATOM 881 CA VAL A 60 10.051 2.602 -0.367 1.00 0.00 C ATOM 882 C VAL A 60 8.588 2.962 -0.600 1.00 0.00 C ATOM 883 O VAL A 60 7.698 2.451 0.079 1.00 0.00 O ATOM 884 CB VAL A 60 10.743 3.765 0.369 1.00 0.00 C ATOM 885 CG1 VAL A 60 9.972 4.136 1.626 1.00 0.00 C ATOM 886 CG2 VAL A 60 12.182 3.401 0.704 1.00 0.00 C ATOM 0 H VAL A 60 11.695 2.601 -1.669 1.00 0.00 H new ATOM 0 HA VAL A 60 10.108 1.706 0.250 1.00 0.00 H new ATOM 0 HB VAL A 60 10.755 4.633 -0.290 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.476 4.959 2.132 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.961 4.441 1.356 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.926 3.274 2.292 1.00 0.00 H new ATOM 0 HG21 VAL A 60 12.656 4.234 1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.195 2.519 1.344 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.727 3.189 -0.216 1.00 0.00 H new ATOM 896 N GLU A 61 8.347 3.844 -1.565 1.00 0.00 N ATOM 897 CA GLU A 61 6.991 4.272 -1.886 1.00 0.00 C ATOM 898 C GLU A 61 6.148 3.094 -2.366 1.00 0.00 C ATOM 899 O GLU A 61 5.094 2.798 -1.801 1.00 0.00 O ATOM 900 CB GLU A 61 7.017 5.364 -2.958 1.00 0.00 C ATOM 901 CG GLU A 61 5.749 6.199 -3.007 1.00 0.00 C ATOM 902 CD GLU A 61 5.924 7.479 -3.802 1.00 0.00 C ATOM 903 OE1 GLU A 61 6.355 7.396 -4.971 1.00 0.00 O ATOM 904 OE2 GLU A 61 5.629 8.562 -3.256 1.00 0.00 O ATOM 0 H GLU A 61 9.073 4.276 -2.137 1.00 0.00 H new ATOM 0 HA GLU A 61 6.540 4.674 -0.979 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.868 6.021 -2.775 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.175 4.901 -3.932 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.946 5.608 -3.448 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.441 6.446 -1.991 1.00 0.00 H new ATOM 911 N THR A 62 6.619 2.424 -3.413 1.00 0.00 N ATOM 912 CA THR A 62 5.910 1.279 -3.971 1.00 0.00 C ATOM 913 C THR A 62 5.467 0.319 -2.873 1.00 0.00 C ATOM 914 O THR A 62 4.480 -0.401 -3.025 1.00 0.00 O ATOM 915 CB THR A 62 6.783 0.516 -4.984 1.00 0.00 C ATOM 916 OG1 THR A 62 6.961 1.303 -6.167 1.00 0.00 O ATOM 917 CG2 THR A 62 6.150 -0.819 -5.347 1.00 0.00 C ATOM 0 H THR A 62 7.489 2.655 -3.892 1.00 0.00 H new ATOM 0 HA THR A 62 5.031 1.671 -4.484 1.00 0.00 H new ATOM 0 HB THR A 62 7.753 0.327 -4.524 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.519 0.812 -6.806 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.785 -1.340 -6.064 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.043 -1.427 -4.449 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.168 -0.648 -5.789 1.00 0.00 H new ATOM 925 N PHE A 63 6.204 0.312 -1.767 1.00 0.00 N ATOM 926 CA PHE A 63 5.887 -0.562 -0.643 1.00 0.00 C ATOM 927 C PHE A 63 4.936 0.128 0.331 1.00 0.00 C ATOM 928 O PHE A 63 4.063 -0.510 0.918 1.00 0.00 O ATOM 929 CB PHE A 63 7.168 -0.976 0.085 1.00 0.00 C ATOM 930 CG PHE A 63 6.924 -1.884 1.256 1.00 0.00 C ATOM 931 CD1 PHE A 63 6.254 -3.086 1.090 1.00 0.00 C ATOM 932 CD2 PHE A 63 7.366 -1.537 2.523 1.00 0.00 C ATOM 933 CE1 PHE A 63 6.029 -3.924 2.166 1.00 0.00 C ATOM 934 CE2 PHE A 63 7.144 -2.372 3.602 1.00 0.00 C ATOM 935 CZ PHE A 63 6.474 -3.566 3.423 1.00 0.00 C ATOM 0 H PHE A 63 7.024 0.901 -1.625 1.00 0.00 H new ATOM 0 HA PHE A 63 5.395 -1.452 -1.035 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.832 -1.476 -0.620 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.686 -0.081 0.431 1.00 0.00 H new ATOM 0 HD1 PHE A 63 5.904 -3.371 0.109 1.00 0.00 H new ATOM 0 HD2 PHE A 63 7.890 -0.604 2.669 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.506 -4.858 2.024 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.494 -2.091 4.584 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.298 -4.219 4.265 1.00 0.00 H new ATOM 945 N GLN A 64 5.113 1.435 0.496 1.00 0.00 N ATOM 946 CA GLN A 64 4.271 2.211 1.399 1.00 0.00 C ATOM 947 C GLN A 64 2.836 2.274 0.886 1.00 0.00 C ATOM 948 O GLN A 64 1.897 2.463 1.659 1.00 0.00 O ATOM 949 CB GLN A 64 4.830 3.626 1.561 1.00 0.00 C ATOM 950 CG GLN A 64 5.991 3.713 2.537 1.00 0.00 C ATOM 951 CD GLN A 64 6.421 5.142 2.807 1.00 0.00 C ATOM 952 OE1 GLN A 64 5.732 6.091 2.432 1.00 0.00 O ATOM 953 NE2 GLN A 64 7.565 5.302 3.462 1.00 0.00 N ATOM 0 H GLN A 64 5.831 1.978 0.017 1.00 0.00 H new ATOM 0 HA GLN A 64 4.269 1.715 2.370 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.156 3.992 0.588 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.032 4.287 1.899 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.707 3.239 3.477 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.837 3.152 2.140 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.104 4.487 3.754 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.905 6.240 3.673 1.00 0.00 H new ATOM 962 N LYS A 65 2.673 2.115 -0.423 1.00 0.00 N ATOM 963 CA LYS A 65 1.353 2.153 -1.040 1.00 0.00 C ATOM 964 C LYS A 65 0.707 0.771 -1.029 1.00 0.00 C ATOM 965 O LYS A 65 -0.503 0.641 -0.837 1.00 0.00 O ATOM 966 CB LYS A 65 1.453 2.668 -2.478 1.00 0.00 C ATOM 967 CG LYS A 65 1.714 1.575 -3.499 1.00 0.00 C ATOM 968 CD LYS A 65 2.235 2.146 -4.807 1.00 0.00 C ATOM 969 CE LYS A 65 2.830 1.062 -5.692 1.00 0.00 C ATOM 970 NZ LYS A 65 1.801 0.429 -6.562 1.00 0.00 N ATOM 0 H LYS A 65 3.440 1.958 -1.077 1.00 0.00 H new ATOM 0 HA LYS A 65 0.729 2.832 -0.460 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.527 3.181 -2.736 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.253 3.406 -2.536 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.437 0.866 -3.097 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.793 1.021 -3.684 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.423 2.644 -5.337 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.991 2.903 -4.599 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.616 1.491 -6.313 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.297 0.300 -5.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.247 -0.304 -7.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.063 -0.003 -5.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.373 1.151 -7.176 1.00 0.00 H new ATOM 984 N LEU A 66 1.521 -0.259 -1.234 1.00 0.00 N ATOM 985 CA LEU A 66 1.029 -1.632 -1.246 1.00 0.00 C ATOM 986 C LEU A 66 0.514 -2.038 0.132 1.00 0.00 C ATOM 987 O LEU A 66 -0.570 -2.607 0.256 1.00 0.00 O ATOM 988 CB LEU A 66 2.137 -2.588 -1.690 1.00 0.00 C ATOM 989 CG LEU A 66 2.478 -2.573 -3.181 1.00 0.00 C ATOM 990 CD1 LEU A 66 3.786 -3.306 -3.437 1.00 0.00 C ATOM 991 CD2 LEU A 66 1.350 -3.192 -3.993 1.00 0.00 C ATOM 0 H LEU A 66 2.524 -0.169 -1.394 1.00 0.00 H new ATOM 0 HA LEU A 66 0.203 -1.689 -1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.041 -2.351 -1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.847 -3.602 -1.414 1.00 0.00 H new ATOM 0 HG LEU A 66 2.598 -1.536 -3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.012 -3.285 -4.503 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.590 -2.819 -2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.694 -4.340 -3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.610 -3.173 -5.051 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.197 -4.224 -3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.433 -2.624 -3.834 1.00 0.00 H new ATOM 1003 N GLN A 67 1.298 -1.739 1.163 1.00 0.00 N ATOM 1004 CA GLN A 67 0.920 -2.072 2.531 1.00 0.00 C ATOM 1005 C GLN A 67 -0.305 -1.275 2.966 1.00 0.00 C ATOM 1006 O GLN A 67 -1.067 -1.709 3.830 1.00 0.00 O ATOM 1007 CB GLN A 67 2.085 -1.800 3.484 1.00 0.00 C ATOM 1008 CG GLN A 67 2.305 -0.324 3.772 1.00 0.00 C ATOM 1009 CD GLN A 67 3.327 -0.088 4.867 1.00 0.00 C ATOM 1010 OE1 GLN A 67 4.507 0.133 4.593 1.00 0.00 O ATOM 1011 NE2 GLN A 67 2.879 -0.135 6.116 1.00 0.00 N ATOM 0 H GLN A 67 2.198 -1.267 1.077 1.00 0.00 H new ATOM 0 HA GLN A 67 0.672 -3.133 2.565 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.904 -2.322 4.424 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.997 -2.218 3.058 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.633 0.175 2.860 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.357 0.131 4.061 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.893 -0.321 6.297 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.521 0.015 6.894 1.00 0.00 H new ATOM 1020 N LYS A 68 -0.488 -0.105 2.364 1.00 0.00 N ATOM 1021 CA LYS A 68 -1.621 0.754 2.688 1.00 0.00 C ATOM 1022 C LYS A 68 -2.919 0.174 2.134 1.00 0.00 C ATOM 1023 O LYS A 68 -3.815 -0.198 2.891 1.00 0.00 O ATOM 1024 CB LYS A 68 -1.398 2.160 2.127 1.00 0.00 C ATOM 1025 CG LYS A 68 -2.321 3.207 2.725 1.00 0.00 C ATOM 1026 CD LYS A 68 -2.225 3.235 4.241 1.00 0.00 C ATOM 1027 CE LYS A 68 -3.276 2.341 4.883 1.00 0.00 C ATOM 1028 NZ LYS A 68 -4.532 3.085 5.175 1.00 0.00 N ATOM 0 H LYS A 68 0.134 0.271 1.648 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.703 0.811 3.773 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.364 2.454 2.307 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.540 2.138 1.046 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.066 4.189 2.325 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.349 2.999 2.428 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.231 2.910 4.550 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.350 4.258 4.596 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.495 1.504 4.220 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.880 1.920 5.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.223 2.442 5.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.328 3.868 5.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.924 3.465 4.290 1.00 0.00 H new ATOM 1042 N ALA A 69 -3.012 0.100 0.811 1.00 0.00 N ATOM 1043 CA ALA A 69 -4.198 -0.438 0.157 1.00 0.00 C ATOM 1044 C ALA A 69 -4.506 -1.848 0.650 1.00 0.00 C ATOM 1045 O ALA A 69 -5.643 -2.159 1.005 1.00 0.00 O ATOM 1046 CB ALA A 69 -4.016 -0.433 -1.354 1.00 0.00 C ATOM 0 H ALA A 69 -2.280 0.406 0.170 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.044 0.200 0.412 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.910 -0.838 -1.829 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.853 0.589 -1.697 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.155 -1.046 -1.619 1.00 0.00 H new ATOM 1052 N LYS A 70 -3.485 -2.698 0.670 1.00 0.00 N ATOM 1053 CA LYS A 70 -3.645 -4.076 1.120 1.00 0.00 C ATOM 1054 C LYS A 70 -4.524 -4.142 2.365 1.00 0.00 C ATOM 1055 O LYS A 70 -5.413 -4.987 2.462 1.00 0.00 O ATOM 1056 CB LYS A 70 -2.279 -4.700 1.413 1.00 0.00 C ATOM 1057 CG LYS A 70 -2.352 -5.946 2.279 1.00 0.00 C ATOM 1058 CD LYS A 70 -2.266 -5.605 3.757 1.00 0.00 C ATOM 1059 CE LYS A 70 -2.000 -6.842 4.600 1.00 0.00 C ATOM 1060 NZ LYS A 70 -1.720 -6.496 6.021 1.00 0.00 N ATOM 0 H LYS A 70 -2.537 -2.457 0.380 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.131 -4.639 0.323 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.794 -4.951 0.470 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.650 -3.960 1.908 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.285 -6.474 2.080 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.540 -6.623 2.013 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.471 -4.876 3.918 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.197 -5.138 4.078 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.862 -7.507 4.551 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.153 -7.388 4.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.544 -7.367 6.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.882 -5.882 6.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.538 -5.997 6.425 1.00 0.00 H new ATOM 1074 N GLU A 71 -4.269 -3.246 3.313 1.00 0.00 N ATOM 1075 CA GLU A 71 -5.038 -3.204 4.551 1.00 0.00 C ATOM 1076 C GLU A 71 -6.453 -2.692 4.295 1.00 0.00 C ATOM 1077 O GLU A 71 -7.421 -3.203 4.860 1.00 0.00 O ATOM 1078 CB GLU A 71 -4.340 -2.315 5.582 1.00 0.00 C ATOM 1079 CG GLU A 71 -4.729 -2.626 7.017 1.00 0.00 C ATOM 1080 CD GLU A 71 -3.652 -2.237 8.011 1.00 0.00 C ATOM 1081 OE1 GLU A 71 -3.310 -1.038 8.078 1.00 0.00 O ATOM 1082 OE2 GLU A 71 -3.151 -3.134 8.722 1.00 0.00 O ATOM 0 H GLU A 71 -3.536 -2.540 3.247 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.103 -4.219 4.943 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.261 -2.427 5.475 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.575 -1.272 5.369 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.651 -2.099 7.262 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.936 -3.692 7.110 1.00 0.00 H new ATOM 1089 N ILE A 72 -6.564 -1.680 3.441 1.00 0.00 N ATOM 1090 CA ILE A 72 -7.859 -1.099 3.111 1.00 0.00 C ATOM 1091 C ILE A 72 -8.786 -2.139 2.493 1.00 0.00 C ATOM 1092 O ILE A 72 -9.989 -2.150 2.758 1.00 0.00 O ATOM 1093 CB ILE A 72 -7.712 0.085 2.136 1.00 0.00 C ATOM 1094 CG1 ILE A 72 -6.924 1.220 2.794 1.00 0.00 C ATOM 1095 CG2 ILE A 72 -9.081 0.574 1.687 1.00 0.00 C ATOM 1096 CD1 ILE A 72 -7.737 2.025 3.784 1.00 0.00 C ATOM 0 H ILE A 72 -5.773 -1.246 2.965 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.291 -0.739 4.045 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.162 -0.252 1.257 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.056 0.801 3.304 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.547 1.887 2.019 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.961 1.411 0.999 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.610 -0.236 1.185 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.654 0.898 2.555 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.115 2.812 4.211 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.590 2.473 3.275 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.092 1.371 4.580 1.00 0.00 H new ATOM 1108 N LEU A 73 -8.220 -3.014 1.669 1.00 0.00 N ATOM 1109 CA LEU A 73 -8.996 -4.061 1.013 1.00 0.00 C ATOM 1110 C LEU A 73 -9.226 -5.239 1.956 1.00 0.00 C ATOM 1111 O LEU A 73 -10.366 -5.593 2.258 1.00 0.00 O ATOM 1112 CB LEU A 73 -8.280 -4.538 -0.252 1.00 0.00 C ATOM 1113 CG LEU A 73 -7.990 -3.466 -1.303 1.00 0.00 C ATOM 1114 CD1 LEU A 73 -7.011 -3.989 -2.342 1.00 0.00 C ATOM 1115 CD2 LEU A 73 -9.280 -3.007 -1.966 1.00 0.00 C ATOM 0 H LEU A 73 -7.226 -3.019 1.439 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.965 -3.644 0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.336 -4.997 0.040 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.884 -5.318 -0.715 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.536 -2.609 -0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.816 -3.213 -3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.077 -4.268 -1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.437 -4.862 -2.836 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.055 -2.244 -2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.762 -3.856 -2.450 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.949 -2.592 -1.212 1.00 0.00 H new ATOM 1127 N THR A 74 -8.135 -5.841 2.419 1.00 0.00 N ATOM 1128 CA THR A 74 -8.217 -6.978 3.327 1.00 0.00 C ATOM 1129 C THR A 74 -9.345 -6.795 4.336 1.00 0.00 C ATOM 1130 O THR A 74 -10.076 -7.736 4.642 1.00 0.00 O ATOM 1131 CB THR A 74 -6.893 -7.187 4.087 1.00 0.00 C ATOM 1132 OG1 THR A 74 -6.534 -5.989 4.785 1.00 0.00 O ATOM 1133 CG2 THR A 74 -5.777 -7.577 3.130 1.00 0.00 C ATOM 0 H THR A 74 -7.184 -5.560 2.180 1.00 0.00 H new ATOM 0 HA THR A 74 -8.419 -7.857 2.715 1.00 0.00 H new ATOM 0 HB THR A 74 -7.034 -7.995 4.804 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.786 -6.175 5.390 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.852 -7.719 3.689 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.041 -8.505 2.622 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.638 -6.787 2.392 1.00 0.00 H new ATOM 1141 N ASN A 75 -9.481 -5.576 4.850 1.00 0.00 N ATOM 1142 CA ASN A 75 -10.522 -5.270 5.825 1.00 0.00 C ATOM 1143 C ASN A 75 -11.807 -4.831 5.130 1.00 0.00 C ATOM 1144 O ASN A 75 -11.791 -3.940 4.282 1.00 0.00 O ATOM 1145 CB ASN A 75 -10.046 -4.175 6.782 1.00 0.00 C ATOM 1146 CG ASN A 75 -9.270 -4.733 7.959 1.00 0.00 C ATOM 1147 OD1 ASN A 75 -9.529 -5.846 8.417 1.00 0.00 O ATOM 1148 ND2 ASN A 75 -8.311 -3.959 8.455 1.00 0.00 N ATOM 0 H ASN A 75 -8.884 -4.785 4.608 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.730 -6.176 6.394 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.418 -3.469 6.238 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.908 -3.618 7.150 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.755 -4.281 9.247 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.131 -3.043 8.044 1.00 0.00 H new ATOM 1155 N GLU A 76 -12.917 -5.462 5.497 1.00 0.00 N ATOM 1156 CA GLU A 76 -14.211 -5.136 4.908 1.00 0.00 C ATOM 1157 C GLU A 76 -14.696 -3.770 5.383 1.00 0.00 C ATOM 1158 O GLU A 76 -15.248 -2.992 4.606 1.00 0.00 O ATOM 1159 CB GLU A 76 -15.243 -6.208 5.265 1.00 0.00 C ATOM 1160 CG GLU A 76 -15.413 -6.416 6.760 1.00 0.00 C ATOM 1161 CD GLU A 76 -16.351 -7.562 7.087 1.00 0.00 C ATOM 1162 OE1 GLU A 76 -16.342 -8.565 6.344 1.00 0.00 O ATOM 1163 OE2 GLU A 76 -17.094 -7.455 8.085 1.00 0.00 O ATOM 0 H GLU A 76 -12.947 -6.201 6.199 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.091 -5.103 3.825 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -16.205 -5.932 4.834 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.947 -7.152 4.807 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -14.439 -6.609 7.209 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -15.795 -5.499 7.209 1.00 0.00 H new ATOM 1170 N GLU A 77 -14.485 -3.486 6.664 1.00 0.00 N ATOM 1171 CA GLU A 77 -14.902 -2.214 7.243 1.00 0.00 C ATOM 1172 C GLU A 77 -14.368 -1.042 6.423 1.00 0.00 C ATOM 1173 O GLU A 77 -15.116 -0.135 6.058 1.00 0.00 O ATOM 1174 CB GLU A 77 -14.415 -2.102 8.689 1.00 0.00 C ATOM 1175 CG GLU A 77 -12.902 -2.116 8.825 1.00 0.00 C ATOM 1176 CD GLU A 77 -12.446 -2.239 10.266 1.00 0.00 C ATOM 1177 OE1 GLU A 77 -12.981 -3.109 10.985 1.00 0.00 O ATOM 1178 OE2 GLU A 77 -11.555 -1.465 10.674 1.00 0.00 O ATOM 0 H GLU A 77 -14.028 -4.119 7.321 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.991 -2.178 7.230 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.802 -1.180 9.123 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.831 -2.926 9.268 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.497 -2.947 8.248 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.494 -1.201 8.396 1.00 0.00 H new ATOM 1185 N SER A 78 -13.070 -1.069 6.138 1.00 0.00 N ATOM 1186 CA SER A 78 -12.435 -0.008 5.366 1.00 0.00 C ATOM 1187 C SER A 78 -12.772 -0.138 3.884 1.00 0.00 C ATOM 1188 O SER A 78 -13.152 0.836 3.234 1.00 0.00 O ATOM 1189 CB SER A 78 -10.918 -0.045 5.560 1.00 0.00 C ATOM 1190 OG SER A 78 -10.447 -1.379 5.645 1.00 0.00 O ATOM 0 H SER A 78 -12.438 -1.814 6.430 1.00 0.00 H new ATOM 0 HA SER A 78 -12.817 0.947 5.726 1.00 0.00 H new ATOM 0 HB2 SER A 78 -10.429 0.464 4.729 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.651 0.497 6.467 1.00 0.00 H new ATOM 0 HG SER A 78 -10.270 -1.721 4.744 1.00 0.00 H new ATOM 1196 N ARG A 79 -12.631 -1.350 3.355 1.00 0.00 N ATOM 1197 CA ARG A 79 -12.920 -1.609 1.950 1.00 0.00 C ATOM 1198 C ARG A 79 -14.292 -1.062 1.567 1.00 0.00 C ATOM 1199 O ARG A 79 -14.478 -0.537 0.470 1.00 0.00 O ATOM 1200 CB ARG A 79 -12.859 -3.110 1.663 1.00 0.00 C ATOM 1201 CG ARG A 79 -12.821 -3.446 0.181 1.00 0.00 C ATOM 1202 CD ARG A 79 -12.472 -4.908 -0.050 1.00 0.00 C ATOM 1203 NE ARG A 79 -12.527 -5.267 -1.465 1.00 0.00 N ATOM 1204 CZ ARG A 79 -12.189 -6.463 -1.933 1.00 0.00 C ATOM 1205 NH1 ARG A 79 -11.773 -7.410 -1.104 1.00 0.00 N ATOM 1206 NH2 ARG A 79 -12.266 -6.713 -3.234 1.00 0.00 N ATOM 0 H ARG A 79 -12.318 -2.167 3.879 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.165 -1.101 1.350 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -11.975 -3.528 2.144 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -13.726 -3.593 2.114 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.790 -3.227 -0.268 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.088 -2.813 -0.318 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.472 -5.107 0.336 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -13.162 -5.538 0.511 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.842 -4.561 -2.130 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -11.712 -7.221 -0.104 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -11.514 -8.328 -1.467 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -12.585 -5.986 -3.875 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.006 -7.632 -3.593 1.00 0.00 H new ATOM 1220 N ALA A 80 -15.250 -1.190 2.479 1.00 0.00 N ATOM 1221 CA ALA A 80 -16.604 -0.708 2.238 1.00 0.00 C ATOM 1222 C ALA A 80 -16.622 0.804 2.043 1.00 0.00 C ATOM 1223 O ALA A 80 -17.225 1.311 1.097 1.00 0.00 O ATOM 1224 CB ALA A 80 -17.519 -1.106 3.387 1.00 0.00 C ATOM 0 H ALA A 80 -15.113 -1.624 3.392 1.00 0.00 H new ATOM 0 HA ALA A 80 -16.970 -1.170 1.321 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -18.527 -0.739 3.193 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -17.539 -2.192 3.477 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -17.147 -0.672 4.315 1.00 0.00 H new ATOM 1230 N ARG A 81 -15.959 1.520 2.946 1.00 0.00 N ATOM 1231 CA ARG A 81 -15.900 2.975 2.874 1.00 0.00 C ATOM 1232 C ARG A 81 -15.230 3.429 1.581 1.00 0.00 C ATOM 1233 O ARG A 81 -15.785 4.232 0.831 1.00 0.00 O ATOM 1234 CB ARG A 81 -15.142 3.536 4.078 1.00 0.00 C ATOM 1235 CG ARG A 81 -15.835 3.281 5.407 1.00 0.00 C ATOM 1236 CD ARG A 81 -15.336 4.228 6.487 1.00 0.00 C ATOM 1237 NE ARG A 81 -15.754 3.807 7.821 1.00 0.00 N ATOM 1238 CZ ARG A 81 -15.218 2.779 8.469 1.00 0.00 C ATOM 1239 NH1 ARG A 81 -14.247 2.071 7.909 1.00 0.00 N ATOM 1240 NH2 ARG A 81 -15.653 2.457 9.681 1.00 0.00 N ATOM 0 H ARG A 81 -15.455 1.116 3.736 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.921 3.356 2.887 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.146 3.095 4.107 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.011 4.610 3.946 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -16.912 3.401 5.286 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -15.662 2.250 5.717 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -14.248 4.281 6.448 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -15.711 5.232 6.290 1.00 0.00 H new ATOM 0 HE ARG A 81 -16.499 4.331 8.281 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -13.910 2.315 6.978 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -13.837 1.282 8.409 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -16.400 2.999 10.116 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -15.241 1.667 10.178 1.00 0.00 H new ATOM 1254 N TYR A 82 -14.034 2.910 1.327 1.00 0.00 N ATOM 1255 CA TYR A 82 -13.287 3.264 0.126 1.00 0.00 C ATOM 1256 C TYR A 82 -14.219 3.416 -1.072 1.00 0.00 C ATOM 1257 O TYR A 82 -14.226 4.449 -1.741 1.00 0.00 O ATOM 1258 CB TYR A 82 -12.225 2.204 -0.171 1.00 0.00 C ATOM 1259 CG TYR A 82 -11.447 2.464 -1.441 1.00 0.00 C ATOM 1260 CD1 TYR A 82 -10.494 3.474 -1.500 1.00 0.00 C ATOM 1261 CD2 TYR A 82 -11.666 1.703 -2.582 1.00 0.00 C ATOM 1262 CE1 TYR A 82 -9.781 3.716 -2.659 1.00 0.00 C ATOM 1263 CE2 TYR A 82 -10.957 1.937 -3.744 1.00 0.00 C ATOM 1264 CZ TYR A 82 -10.016 2.945 -3.778 1.00 0.00 C ATOM 1265 OH TYR A 82 -9.309 3.182 -4.934 1.00 0.00 O ATOM 0 H TYR A 82 -13.561 2.243 1.937 1.00 0.00 H new ATOM 0 HA TYR A 82 -12.796 4.221 0.304 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -11.530 2.154 0.667 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.707 1.229 -0.244 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -10.308 4.080 -0.626 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -12.404 0.914 -2.560 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.044 4.505 -2.688 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -11.138 1.334 -4.621 1.00 0.00 H new ATOM 0 HH TYR A 82 -8.517 3.722 -4.728 1.00 0.00 H new ATOM 1275 N ASP A 83 -15.007 2.379 -1.335 1.00 0.00 N ATOM 1276 CA ASP A 83 -15.946 2.395 -2.450 1.00 0.00 C ATOM 1277 C ASP A 83 -16.843 3.627 -2.387 1.00 0.00 C ATOM 1278 O ASP A 83 -17.073 4.293 -3.398 1.00 0.00 O ATOM 1279 CB ASP A 83 -16.800 1.126 -2.444 1.00 0.00 C ATOM 1280 CG ASP A 83 -15.974 -0.129 -2.642 1.00 0.00 C ATOM 1281 OD1 ASP A 83 -14.959 -0.062 -3.366 1.00 0.00 O ATOM 1282 OD2 ASP A 83 -16.344 -1.179 -2.075 1.00 0.00 O ATOM 0 H ASP A 83 -15.014 1.516 -0.791 1.00 0.00 H new ATOM 0 HA ASP A 83 -15.372 2.433 -3.376 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -17.338 1.058 -1.498 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -17.549 1.192 -3.233 1.00 0.00 H new ATOM 1287 N HIS A 84 -17.347 3.926 -1.194 1.00 0.00 N ATOM 1288 CA HIS A 84 -18.220 5.079 -1.000 1.00 0.00 C ATOM 1289 C HIS A 84 -17.571 6.348 -1.543 1.00 0.00 C ATOM 1290 O HIS A 84 -18.241 7.192 -2.140 1.00 0.00 O ATOM 1291 CB HIS A 84 -18.546 5.253 0.484 1.00 0.00 C ATOM 1292 CG HIS A 84 -19.671 6.208 0.741 1.00 0.00 C ATOM 1293 ND1 HIS A 84 -20.854 5.832 1.341 1.00 0.00 N ATOM 1294 CD2 HIS A 84 -19.788 7.530 0.478 1.00 0.00 C ATOM 1295 CE1 HIS A 84 -21.651 6.881 1.434 1.00 0.00 C ATOM 1296 NE2 HIS A 84 -21.027 7.925 0.918 1.00 0.00 N ATOM 0 H HIS A 84 -17.166 3.387 -0.347 1.00 0.00 H new ATOM 0 HA HIS A 84 -19.145 4.902 -1.549 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -18.800 4.282 0.908 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -17.655 5.605 1.005 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -19.045 8.158 0.009 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -22.644 6.885 1.859 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -21.404 8.871 0.857 1.00 0.00 H new ATOM 1304 N TRP A 85 -16.267 6.478 -1.331 1.00 0.00 N ATOM 1305 CA TRP A 85 -15.529 7.645 -1.800 1.00 0.00 C ATOM 1306 C TRP A 85 -15.242 7.545 -3.294 1.00 0.00 C ATOM 1307 O TRP A 85 -15.224 8.553 -4.000 1.00 0.00 O ATOM 1308 CB TRP A 85 -14.218 7.790 -1.025 1.00 0.00 C ATOM 1309 CG TRP A 85 -13.220 8.678 -1.706 1.00 0.00 C ATOM 1310 CD1 TRP A 85 -13.147 10.039 -1.629 1.00 0.00 C ATOM 1311 CD2 TRP A 85 -12.155 8.265 -2.570 1.00 0.00 C ATOM 1312 NE1 TRP A 85 -12.101 10.498 -2.392 1.00 0.00 N ATOM 1313 CE2 TRP A 85 -11.476 9.429 -2.979 1.00 0.00 C ATOM 1314 CE3 TRP A 85 -11.708 7.026 -3.035 1.00 0.00 C ATOM 1315 CZ2 TRP A 85 -10.376 9.388 -3.831 1.00 0.00 C ATOM 1316 CZ3 TRP A 85 -10.616 6.987 -3.882 1.00 0.00 C ATOM 1317 CH2 TRP A 85 -9.960 8.162 -4.272 1.00 0.00 C ATOM 0 H TRP A 85 -15.699 5.790 -0.837 1.00 0.00 H new ATOM 0 HA TRP A 85 -16.146 8.527 -1.626 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -14.433 8.190 -0.034 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -13.778 6.803 -0.882 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -13.814 10.663 -1.053 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -11.833 11.476 -2.504 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -12.206 6.115 -2.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -9.869 10.292 -4.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -10.263 6.035 -4.249 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -9.109 8.098 -4.934 1.00 0.00 H new ATOM 1328 N ARG A 86 -15.020 6.324 -3.769 1.00 0.00 N ATOM 1329 CA ARG A 86 -14.734 6.094 -5.180 1.00 0.00 C ATOM 1330 C ARG A 86 -15.905 6.538 -6.052 1.00 0.00 C ATOM 1331 O ARG A 86 -15.712 7.149 -7.103 1.00 0.00 O ATOM 1332 CB ARG A 86 -14.433 4.614 -5.426 1.00 0.00 C ATOM 1333 CG ARG A 86 -13.787 4.340 -6.774 1.00 0.00 C ATOM 1334 CD ARG A 86 -13.240 2.923 -6.852 1.00 0.00 C ATOM 1335 NE ARG A 86 -12.320 2.753 -7.973 1.00 0.00 N ATOM 1336 CZ ARG A 86 -12.714 2.480 -9.212 1.00 0.00 C ATOM 1337 NH1 ARG A 86 -14.004 2.349 -9.487 1.00 0.00 N ATOM 1338 NH2 ARG A 86 -11.816 2.339 -10.179 1.00 0.00 N ATOM 0 H ARG A 86 -15.033 5.479 -3.198 1.00 0.00 H new ATOM 0 HA ARG A 86 -13.859 6.686 -5.449 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.775 4.250 -4.637 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -15.361 4.047 -5.355 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -14.519 4.493 -7.567 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.980 5.053 -6.943 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.726 2.681 -5.922 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.067 2.220 -6.952 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.320 2.849 -7.795 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -14.697 2.458 -8.746 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -14.304 2.139 -10.439 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -10.823 2.440 -9.971 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.119 2.129 -11.130 1.00 0.00 H new ATOM 1352 N ARG A 87 -17.118 6.226 -5.608 1.00 0.00 N ATOM 1353 CA ARG A 87 -18.319 6.592 -6.348 1.00 0.00 C ATOM 1354 C ARG A 87 -18.641 8.072 -6.167 1.00 0.00 C ATOM 1355 O ARG A 87 -19.432 8.643 -6.917 1.00 0.00 O ATOM 1356 CB ARG A 87 -19.505 5.741 -5.889 1.00 0.00 C ATOM 1357 CG ARG A 87 -19.937 6.020 -4.459 1.00 0.00 C ATOM 1358 CD ARG A 87 -20.896 4.955 -3.949 1.00 0.00 C ATOM 1359 NE ARG A 87 -22.277 5.233 -4.334 1.00 0.00 N ATOM 1360 CZ ARG A 87 -22.983 6.251 -3.853 1.00 0.00 C ATOM 1361 NH1 ARG A 87 -22.440 7.083 -2.975 1.00 0.00 N ATOM 1362 NH2 ARG A 87 -24.235 6.438 -4.252 1.00 0.00 N ATOM 0 H ARG A 87 -17.295 5.721 -4.740 1.00 0.00 H new ATOM 0 HA ARG A 87 -18.134 6.406 -7.406 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -20.349 5.919 -6.556 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -19.243 4.687 -5.981 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -19.059 6.060 -3.814 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -20.416 6.998 -4.407 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -20.599 3.982 -4.341 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -20.827 4.895 -2.863 1.00 0.00 H new ATOM 0 HE ARG A 87 -22.724 4.612 -5.009 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -21.478 6.943 -2.667 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -22.984 7.863 -2.608 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -24.655 5.800 -4.928 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -24.777 7.219 -3.883 1.00 0.00 H new ATOM 1376 N SER A 88 -18.022 8.688 -5.165 1.00 0.00 N ATOM 1377 CA SER A 88 -18.245 10.101 -4.881 1.00 0.00 C ATOM 1378 C SER A 88 -17.418 10.980 -5.815 1.00 0.00 C ATOM 1379 O SER A 88 -17.679 12.175 -5.952 1.00 0.00 O ATOM 1380 CB SER A 88 -17.894 10.413 -3.425 1.00 0.00 C ATOM 1381 OG SER A 88 -18.354 11.701 -3.054 1.00 0.00 O ATOM 0 H SER A 88 -17.362 8.231 -4.536 1.00 0.00 H new ATOM 0 HA SER A 88 -19.301 10.317 -5.047 1.00 0.00 H new ATOM 0 HB2 SER A 88 -18.339 9.662 -2.772 1.00 0.00 H new ATOM 0 HB3 SER A 88 -16.814 10.356 -3.288 1.00 0.00 H new ATOM 0 HG SER A 88 -18.274 12.310 -3.818 1.00 0.00 H new ATOM 1387 N GLN A 89 -16.421 10.378 -6.455 1.00 0.00 N ATOM 1388 CA GLN A 89 -15.555 11.106 -7.375 1.00 0.00 C ATOM 1389 C GLN A 89 -15.097 12.426 -6.764 1.00 0.00 C ATOM 1390 O GLN A 89 -14.908 13.415 -7.471 1.00 0.00 O ATOM 1391 CB GLN A 89 -16.283 11.366 -8.695 1.00 0.00 C ATOM 1392 CG GLN A 89 -16.413 10.132 -9.573 1.00 0.00 C ATOM 1393 CD GLN A 89 -15.179 9.884 -10.417 1.00 0.00 C ATOM 1394 OE1 GLN A 89 -14.148 10.532 -10.236 1.00 0.00 O ATOM 1395 NE2 GLN A 89 -15.278 8.942 -11.348 1.00 0.00 N ATOM 0 H GLN A 89 -16.193 9.389 -6.354 1.00 0.00 H new ATOM 0 HA GLN A 89 -14.675 10.493 -7.568 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -17.278 11.755 -8.481 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -15.750 12.140 -9.247 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -16.599 9.261 -8.944 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -17.278 10.245 -10.226 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -16.152 8.429 -11.464 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -14.480 8.731 -11.947 1.00 0.00 H new ATOM 1404 N MET A 90 -14.922 12.433 -5.447 1.00 0.00 N ATOM 1405 CA MET A 90 -14.486 13.632 -4.741 1.00 0.00 C ATOM 1406 C MET A 90 -13.201 14.184 -5.350 1.00 0.00 C ATOM 1407 O MET A 90 -12.464 13.465 -6.025 1.00 0.00 O ATOM 1408 CB MET A 90 -14.270 13.326 -3.257 1.00 0.00 C ATOM 1409 CG MET A 90 -15.517 12.812 -2.555 1.00 0.00 C ATOM 1410 SD MET A 90 -16.521 14.141 -1.864 1.00 0.00 S ATOM 1411 CE MET A 90 -17.279 13.304 -0.473 1.00 0.00 C ATOM 0 H MET A 90 -15.075 11.622 -4.847 1.00 0.00 H new ATOM 0 HA MET A 90 -15.267 14.386 -4.839 1.00 0.00 H new ATOM 0 HB2 MET A 90 -13.476 12.585 -3.159 1.00 0.00 H new ATOM 0 HB3 MET A 90 -13.926 14.230 -2.754 1.00 0.00 H new ATOM 0 HG2 MET A 90 -16.117 12.238 -3.261 1.00 0.00 H new ATOM 0 HG3 MET A 90 -15.225 12.130 -1.757 1.00 0.00 H new ATOM 0 HE1 MET A 90 -18.243 13.764 -0.253 1.00 0.00 H new ATOM 0 HE2 MET A 90 -17.426 12.252 -0.718 1.00 0.00 H new ATOM 0 HE3 MET A 90 -16.630 13.386 0.399 1.00 0.00 H new ATOM 1421 N SER A 91 -12.939 15.464 -5.107 1.00 0.00 N ATOM 1422 CA SER A 91 -11.745 16.114 -5.635 1.00 0.00 C ATOM 1423 C SER A 91 -10.496 15.634 -4.902 1.00 0.00 C ATOM 1424 O SER A 91 -9.509 15.244 -5.525 1.00 0.00 O ATOM 1425 CB SER A 91 -11.869 17.634 -5.514 1.00 0.00 C ATOM 1426 OG SER A 91 -13.048 18.101 -6.146 1.00 0.00 O ATOM 0 H SER A 91 -13.538 16.072 -4.548 1.00 0.00 H new ATOM 0 HA SER A 91 -11.652 15.848 -6.688 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.879 17.919 -4.462 1.00 0.00 H new ATOM 0 HB3 SER A 91 -10.998 18.110 -5.964 1.00 0.00 H new ATOM 0 HG SER A 91 -13.105 19.075 -6.053 1.00 0.00 H new ATOM 1432 N MET A 92 -10.548 15.665 -3.575 1.00 0.00 N ATOM 1433 CA MET A 92 -9.422 15.232 -2.756 1.00 0.00 C ATOM 1434 C MET A 92 -9.299 13.712 -2.760 1.00 0.00 C ATOM 1435 O MET A 92 -10.268 12.988 -2.987 1.00 0.00 O ATOM 1436 CB MET A 92 -9.582 15.739 -1.321 1.00 0.00 C ATOM 1437 CG MET A 92 -10.328 14.773 -0.415 1.00 0.00 C ATOM 1438 SD MET A 92 -12.061 14.587 -0.874 1.00 0.00 S ATOM 1439 CE MET A 92 -12.841 14.599 0.738 1.00 0.00 C ATOM 0 H MET A 92 -11.358 15.985 -3.044 1.00 0.00 H new ATOM 0 HA MET A 92 -8.512 15.653 -3.183 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.595 15.931 -0.900 1.00 0.00 H new ATOM 0 HB3 MET A 92 -10.112 16.691 -1.338 1.00 0.00 H new ATOM 0 HG2 MET A 92 -9.841 13.799 -0.450 1.00 0.00 H new ATOM 0 HG3 MET A 92 -10.265 15.125 0.615 1.00 0.00 H new ATOM 0 HE1 MET A 92 -13.851 14.198 0.656 1.00 0.00 H new ATOM 0 HE2 MET A 92 -12.261 13.985 1.427 1.00 0.00 H new ATOM 0 HE3 MET A 92 -12.886 15.621 1.113 1.00 0.00 H new ATOM 1449 N PRO A 93 -8.080 13.215 -2.503 1.00 0.00 N ATOM 1450 CA PRO A 93 -7.803 11.776 -2.471 1.00 0.00 C ATOM 1451 C PRO A 93 -8.443 11.088 -1.270 1.00 0.00 C ATOM 1452 O PRO A 93 -8.828 11.742 -0.300 1.00 0.00 O ATOM 1453 CB PRO A 93 -6.276 11.711 -2.372 1.00 0.00 C ATOM 1454 CG PRO A 93 -5.882 13.002 -1.741 1.00 0.00 C ATOM 1455 CD PRO A 93 -6.879 14.019 -2.223 1.00 0.00 C ATOM 0 HA PRO A 93 -8.211 11.264 -3.343 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.954 10.861 -1.770 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.820 11.596 -3.355 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.897 12.926 -0.654 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.868 13.283 -2.027 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.073 14.781 -1.468 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.525 14.537 -3.115 1.00 0.00 H new ATOM 1463 N PHE A 94 -8.555 9.766 -1.341 1.00 0.00 N ATOM 1464 CA PHE A 94 -9.150 8.990 -0.259 1.00 0.00 C ATOM 1465 C PHE A 94 -8.462 9.291 1.069 1.00 0.00 C ATOM 1466 O PHE A 94 -9.114 9.647 2.050 1.00 0.00 O ATOM 1467 CB PHE A 94 -9.058 7.494 -0.566 1.00 0.00 C ATOM 1468 CG PHE A 94 -9.409 6.619 0.604 1.00 0.00 C ATOM 1469 CD1 PHE A 94 -10.732 6.428 0.970 1.00 0.00 C ATOM 1470 CD2 PHE A 94 -8.417 5.987 1.336 1.00 0.00 C ATOM 1471 CE1 PHE A 94 -11.058 5.625 2.046 1.00 0.00 C ATOM 1472 CE2 PHE A 94 -8.737 5.182 2.413 1.00 0.00 C ATOM 1473 CZ PHE A 94 -10.059 5.000 2.768 1.00 0.00 C ATOM 0 H PHE A 94 -8.242 9.209 -2.136 1.00 0.00 H new ATOM 0 HA PHE A 94 -10.199 9.274 -0.177 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -9.724 7.260 -1.397 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.045 7.260 -0.893 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -11.517 6.912 0.408 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -7.382 6.125 1.062 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -12.093 5.486 2.323 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -7.954 4.696 2.976 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.312 4.370 3.608 1.00 0.00 H new ATOM 1483 N GLN A 95 -7.141 9.146 1.091 1.00 0.00 N ATOM 1484 CA GLN A 95 -6.365 9.401 2.298 1.00 0.00 C ATOM 1485 C GLN A 95 -6.915 10.606 3.055 1.00 0.00 C ATOM 1486 O GLN A 95 -7.148 10.538 4.261 1.00 0.00 O ATOM 1487 CB GLN A 95 -4.894 9.634 1.945 1.00 0.00 C ATOM 1488 CG GLN A 95 -4.667 10.842 1.051 1.00 0.00 C ATOM 1489 CD GLN A 95 -3.238 10.940 0.555 1.00 0.00 C ATOM 1490 OE1 GLN A 95 -2.470 9.983 0.647 1.00 0.00 O ATOM 1491 NE2 GLN A 95 -2.874 12.102 0.025 1.00 0.00 N ATOM 0 H GLN A 95 -6.586 8.853 0.287 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.443 8.524 2.941 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -4.324 9.761 2.865 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.503 8.746 1.448 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.341 10.789 0.196 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.920 11.749 1.601 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -3.544 12.869 -0.031 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.924 12.227 -0.326 1.00 0.00 H new ATOM 1500 N GLN A 96 -7.119 11.706 2.337 1.00 0.00 N ATOM 1501 CA GLN A 96 -7.641 12.926 2.942 1.00 0.00 C ATOM 1502 C GLN A 96 -9.012 12.681 3.564 1.00 0.00 C ATOM 1503 O GLN A 96 -9.227 12.960 4.744 1.00 0.00 O ATOM 1504 CB GLN A 96 -7.733 14.039 1.897 1.00 0.00 C ATOM 1505 CG GLN A 96 -7.744 15.436 2.496 1.00 0.00 C ATOM 1506 CD GLN A 96 -7.708 16.524 1.441 1.00 0.00 C ATOM 1507 OE1 GLN A 96 -6.823 16.545 0.585 1.00 0.00 O ATOM 1508 NE2 GLN A 96 -8.672 17.436 1.497 1.00 0.00 N ATOM 0 H GLN A 96 -6.931 11.777 1.337 1.00 0.00 H new ATOM 0 HA GLN A 96 -6.954 13.234 3.731 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -6.890 13.953 1.212 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.639 13.898 1.307 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -8.638 15.558 3.108 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.886 15.550 3.159 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -9.385 17.380 2.224 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -8.699 18.192 0.813 1.00 0.00 H new ATOM 1517 N TRP A 97 -9.934 12.160 2.764 1.00 0.00 N ATOM 1518 CA TRP A 97 -11.285 11.879 3.237 1.00 0.00 C ATOM 1519 C TRP A 97 -11.253 11.049 4.515 1.00 0.00 C ATOM 1520 O TRP A 97 -11.886 11.401 5.510 1.00 0.00 O ATOM 1521 CB TRP A 97 -12.083 11.145 2.157 1.00 0.00 C ATOM 1522 CG TRP A 97 -13.542 11.024 2.476 1.00 0.00 C ATOM 1523 CD1 TRP A 97 -14.426 12.048 2.669 1.00 0.00 C ATOM 1524 CD2 TRP A 97 -14.287 9.812 2.640 1.00 0.00 C ATOM 1525 NE1 TRP A 97 -15.675 11.544 2.944 1.00 0.00 N ATOM 1526 CE2 TRP A 97 -15.616 10.176 2.931 1.00 0.00 C ATOM 1527 CE3 TRP A 97 -13.960 8.456 2.567 1.00 0.00 C ATOM 1528 CZ2 TRP A 97 -16.615 9.231 3.149 1.00 0.00 C ATOM 1529 CZ3 TRP A 97 -14.953 7.519 2.785 1.00 0.00 C ATOM 1530 CH2 TRP A 97 -16.267 7.910 3.072 1.00 0.00 C ATOM 0 H TRP A 97 -9.772 11.923 1.785 1.00 0.00 H new ATOM 0 HA TRP A 97 -11.772 12.829 3.456 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -11.968 11.671 1.210 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -11.664 10.148 2.021 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -14.180 13.098 2.614 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -16.511 12.099 3.128 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -12.950 8.145 2.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -17.629 9.530 3.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -14.711 6.468 2.733 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -17.020 7.154 3.236 1.00 0.00 H new ATOM 1541 N GLU A 98 -10.511 9.946 4.481 1.00 0.00 N ATOM 1542 CA GLU A 98 -10.398 9.066 5.639 1.00 0.00 C ATOM 1543 C GLU A 98 -10.210 9.874 6.919 1.00 0.00 C ATOM 1544 O GLU A 98 -10.704 9.497 7.982 1.00 0.00 O ATOM 1545 CB GLU A 98 -9.229 8.097 5.458 1.00 0.00 C ATOM 1546 CG GLU A 98 -9.431 6.762 6.155 1.00 0.00 C ATOM 1547 CD GLU A 98 -9.142 6.830 7.641 1.00 0.00 C ATOM 1548 OE1 GLU A 98 -7.950 6.805 8.015 1.00 0.00 O ATOM 1549 OE2 GLU A 98 -10.105 6.908 8.431 1.00 0.00 O ATOM 0 H GLU A 98 -9.980 9.641 3.665 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.323 8.496 5.722 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -9.075 7.922 4.393 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -8.320 8.562 5.839 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -10.458 6.429 6.003 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.783 6.015 5.696 1.00 0.00 H new