USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 583 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 23 SER OG : rot -84:sc= 0.815 USER MOD Single : A 31 TYR OH : rot -22:sc= 0.279 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.224 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.453 X(o=-0.45,f=-0.83) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.326 USER MOD Single : A 72 ASN : amide:sc= -5.15! K(o=-5.1!,f=-1.2) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 160:sc= -1.12 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot -93:sc= 1.24 USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 246 N GLU A 20 20.800 25.216 -15.847 1.00 51.23 N ATOM 247 CA GLU A 20 20.072 25.407 -14.598 1.00 45.00 C ATOM 248 C GLU A 20 18.670 25.948 -14.862 1.00 43.12 C ATOM 249 O GLU A 20 18.374 27.119 -14.622 1.00 34.43 O ATOM 250 CB GLU A 20 20.835 26.363 -13.679 1.00 2.41 C ATOM 251 CG GLU A 20 21.335 27.614 -14.382 1.00 0.31 C ATOM 252 CD GLU A 20 22.736 27.450 -14.939 1.00 12.21 C ATOM 253 OE1 GLU A 20 23.586 26.857 -14.243 1.00 71.31 O ATOM 254 OE2 GLU A 20 22.981 27.915 -16.072 1.00 3.53 O ATOM 0 HA GLU A 20 19.982 24.438 -14.108 1.00 45.00 H new ATOM 0 HB2 GLU A 20 20.186 26.655 -12.853 1.00 2.41 H new ATOM 0 HB3 GLU A 20 21.685 25.836 -13.245 1.00 2.41 H new ATOM 0 HG2 GLU A 20 20.653 27.867 -15.194 1.00 0.31 H new ATOM 0 HG3 GLU A 20 21.322 28.449 -13.682 1.00 0.31 H new ATOM 261 N PRO A 21 17.786 25.076 -15.370 1.00 1.43 N ATOM 262 CA PRO A 21 16.401 25.443 -15.678 1.00 13.11 C ATOM 263 C PRO A 21 15.575 25.699 -14.421 1.00 64.25 C ATOM 264 O PRO A 21 14.542 26.364 -14.471 1.00 34.23 O ATOM 265 CB PRO A 21 15.868 24.219 -16.428 1.00 3.34 C ATOM 266 CG PRO A 21 16.709 23.086 -15.949 1.00 0.51 C ATOM 267 CD PRO A 21 18.071 23.666 -15.681 1.00 73.42 C ATOM 0 HA PRO A 21 16.343 26.369 -16.250 1.00 13.11 H new ATOM 0 HB2 PRO A 21 14.814 24.049 -16.210 1.00 3.34 H new ATOM 0 HB3 PRO A 21 15.954 24.347 -17.507 1.00 3.34 H new ATOM 0 HG2 PRO A 21 16.289 22.643 -15.046 1.00 0.51 H new ATOM 0 HG3 PRO A 21 16.762 22.295 -16.698 1.00 0.51 H new ATOM 0 HD2 PRO A 21 18.565 23.163 -14.850 1.00 73.42 H new ATOM 0 HD3 PRO A 21 18.726 23.570 -16.547 1.00 73.42 H new ATOM 275 N GLY A 22 16.040 25.166 -13.295 1.00 52.01 N ATOM 276 CA GLY A 22 15.332 25.348 -12.041 1.00 41.34 C ATOM 277 C GLY A 22 15.088 26.810 -11.721 1.00 33.53 C ATOM 278 O GLY A 22 14.175 27.142 -10.965 1.00 73.10 O ATOM 0 H GLY A 22 16.894 24.612 -13.229 1.00 52.01 H new ATOM 0 HA2 GLY A 22 14.377 24.825 -12.087 1.00 41.34 H new ATOM 0 HA3 GLY A 22 15.906 24.893 -11.234 1.00 41.34 H new ATOM 282 N SER A 23 15.907 27.685 -12.295 1.00 33.20 N ATOM 283 CA SER A 23 15.779 29.119 -12.062 1.00 34.43 C ATOM 284 C SER A 23 14.423 29.628 -12.542 1.00 11.04 C ATOM 285 O SER A 23 13.832 29.076 -13.469 1.00 24.32 O ATOM 286 CB SER A 23 16.902 29.875 -12.774 1.00 33.11 C ATOM 287 OG SER A 23 16.926 29.568 -14.157 1.00 52.12 O ATOM 0 H SER A 23 16.666 27.426 -12.925 1.00 33.20 H new ATOM 0 HA SER A 23 15.855 29.296 -10.989 1.00 34.43 H new ATOM 0 HB2 SER A 23 16.765 30.948 -12.639 1.00 33.11 H new ATOM 0 HB3 SER A 23 17.861 29.617 -12.324 1.00 33.11 H new ATOM 0 HG SER A 23 17.436 28.743 -14.300 1.00 52.12 H new ATOM 293 N GLY A 24 13.935 30.687 -11.902 1.00 63.10 N ATOM 294 CA GLY A 24 12.653 31.254 -12.276 1.00 40.04 C ATOM 295 C GLY A 24 11.698 31.352 -11.104 1.00 12.34 C ATOM 296 O GLY A 24 10.511 31.628 -11.281 1.00 61.53 O ATOM 0 H GLY A 24 14.405 31.162 -11.131 1.00 63.10 H new ATOM 0 HA2 GLY A 24 12.808 32.247 -12.698 1.00 40.04 H new ATOM 0 HA3 GLY A 24 12.203 30.642 -13.057 1.00 40.04 H new ATOM 300 N VAL A 25 12.215 31.125 -9.900 1.00 41.13 N ATOM 301 CA VAL A 25 11.400 31.189 -8.693 1.00 71.22 C ATOM 302 C VAL A 25 12.187 31.779 -7.529 1.00 2.21 C ATOM 303 O VAL A 25 13.415 31.696 -7.491 1.00 31.33 O ATOM 304 CB VAL A 25 10.880 29.795 -8.293 1.00 11.31 C ATOM 305 CG1 VAL A 25 9.844 29.910 -7.185 1.00 20.20 C ATOM 306 CG2 VAL A 25 10.302 29.075 -9.502 1.00 2.11 C ATOM 0 H VAL A 25 13.195 30.895 -9.735 1.00 41.13 H new ATOM 0 HA VAL A 25 10.551 31.835 -8.918 1.00 71.22 H new ATOM 0 HB VAL A 25 11.717 29.208 -7.916 1.00 11.31 H new ATOM 0 HG11 VAL A 25 9.488 28.916 -6.915 1.00 20.20 H new ATOM 0 HG12 VAL A 25 10.295 30.383 -6.313 1.00 20.20 H new ATOM 0 HG13 VAL A 25 9.006 30.514 -7.532 1.00 20.20 H new ATOM 0 HG21 VAL A 25 9.939 28.092 -9.201 1.00 2.11 H new ATOM 0 HG22 VAL A 25 9.476 29.657 -9.911 1.00 2.11 H new ATOM 0 HG23 VAL A 25 11.076 28.960 -10.261 1.00 2.11 H new ATOM 316 N ARG A 26 11.472 32.376 -6.580 1.00 64.44 N ATOM 317 CA ARG A 26 12.104 32.981 -5.414 1.00 64.03 C ATOM 318 C ARG A 26 11.536 32.398 -4.124 1.00 13.22 C ATOM 319 O ARG A 26 10.520 32.871 -3.613 1.00 31.52 O ATOM 320 CB ARG A 26 11.908 34.498 -5.431 1.00 50.03 C ATOM 321 CG ARG A 26 12.569 35.211 -4.263 1.00 31.21 C ATOM 322 CD ARG A 26 11.665 36.287 -3.683 1.00 54.34 C ATOM 323 NE ARG A 26 11.358 37.329 -4.660 1.00 43.01 N ATOM 324 CZ ARG A 26 12.249 38.214 -5.095 1.00 31.33 C ATOM 325 NH1 ARG A 26 13.495 38.183 -4.642 1.00 34.52 N ATOM 326 NH2 ARG A 26 11.894 39.132 -5.985 1.00 21.33 N ATOM 0 H ARG A 26 10.455 32.453 -6.596 1.00 64.44 H new ATOM 0 HA ARG A 26 13.170 32.759 -5.454 1.00 64.03 H new ATOM 0 HB2 ARG A 26 12.309 34.897 -6.363 1.00 50.03 H new ATOM 0 HB3 ARG A 26 10.840 34.718 -5.423 1.00 50.03 H new ATOM 0 HG2 ARG A 26 12.818 34.487 -3.487 1.00 31.21 H new ATOM 0 HG3 ARG A 26 13.506 35.660 -4.593 1.00 31.21 H new ATOM 0 HD2 ARG A 26 10.738 35.832 -3.334 1.00 54.34 H new ATOM 0 HD3 ARG A 26 12.146 36.735 -2.814 1.00 54.34 H new ATOM 0 HE ARG A 26 10.408 37.380 -5.028 1.00 43.01 H new ATOM 0 HH11 ARG A 26 13.772 37.479 -3.958 1.00 34.52 H new ATOM 0 HH12 ARG A 26 14.177 38.863 -4.978 1.00 34.52 H new ATOM 0 HH21 ARG A 26 10.937 39.159 -6.336 1.00 21.33 H new ATOM 0 HH22 ARG A 26 12.579 39.811 -6.318 1.00 21.33 H new ATOM 340 N ILE A 27 12.197 31.370 -3.603 1.00 42.03 N ATOM 341 CA ILE A 27 11.758 30.724 -2.373 1.00 32.31 C ATOM 342 C ILE A 27 12.031 31.607 -1.160 1.00 60.12 C ATOM 343 O ILE A 27 12.974 32.398 -1.155 1.00 0.33 O ATOM 344 CB ILE A 27 12.454 29.365 -2.171 1.00 72.33 C ATOM 345 CG1 ILE A 27 12.387 28.537 -3.457 1.00 4.52 C ATOM 346 CG2 ILE A 27 11.816 28.609 -1.015 1.00 53.22 C ATOM 347 CD1 ILE A 27 13.221 27.276 -3.407 1.00 51.13 C ATOM 0 H ILE A 27 13.039 30.967 -4.014 1.00 42.03 H new ATOM 0 HA ILE A 27 10.684 30.563 -2.468 1.00 32.31 H new ATOM 0 HB ILE A 27 13.502 29.543 -1.929 1.00 72.33 H new ATOM 0 HG12 ILE A 27 11.349 28.269 -3.653 1.00 4.52 H new ATOM 0 HG13 ILE A 27 12.721 29.151 -4.293 1.00 4.52 H new ATOM 0 HG21 ILE A 27 12.319 27.651 -0.885 1.00 53.22 H new ATOM 0 HG22 ILE A 27 11.910 29.195 -0.101 1.00 53.22 H new ATOM 0 HG23 ILE A 27 10.761 28.439 -1.230 1.00 53.22 H new ATOM 0 HD11 ILE A 27 13.126 26.739 -4.351 1.00 51.13 H new ATOM 0 HD12 ILE A 27 14.266 27.537 -3.242 1.00 51.13 H new ATOM 0 HD13 ILE A 27 12.872 26.641 -2.592 1.00 51.13 H new ATOM 359 N VAL A 28 11.200 31.465 -0.132 1.00 62.13 N ATOM 360 CA VAL A 28 11.353 32.247 1.088 1.00 4.53 C ATOM 361 C VAL A 28 10.830 31.484 2.300 1.00 53.32 C ATOM 362 O VAL A 28 9.621 31.386 2.510 1.00 13.12 O ATOM 363 CB VAL A 28 10.616 33.596 0.987 1.00 60.13 C ATOM 364 CG1 VAL A 28 10.708 34.355 2.301 1.00 2.54 C ATOM 365 CG2 VAL A 28 11.178 34.425 -0.158 1.00 41.11 C ATOM 0 H VAL A 28 10.414 30.815 -0.120 1.00 62.13 H new ATOM 0 HA VAL A 28 12.420 32.433 1.212 1.00 4.53 H new ATOM 0 HB VAL A 28 9.563 33.401 0.782 1.00 60.13 H new ATOM 0 HG11 VAL A 28 10.182 35.305 2.210 1.00 2.54 H new ATOM 0 HG12 VAL A 28 10.254 33.763 3.096 1.00 2.54 H new ATOM 0 HG13 VAL A 28 11.755 34.542 2.541 1.00 2.54 H new ATOM 0 HG21 VAL A 28 10.646 35.375 -0.215 1.00 41.11 H new ATOM 0 HG22 VAL A 28 12.238 34.613 0.015 1.00 41.11 H new ATOM 0 HG23 VAL A 28 11.054 33.883 -1.095 1.00 41.11 H new ATOM 375 N VAL A 29 11.748 30.945 3.095 1.00 3.21 N ATOM 376 CA VAL A 29 11.380 30.192 4.288 1.00 72.54 C ATOM 377 C VAL A 29 11.024 31.125 5.439 1.00 21.24 C ATOM 378 O VAL A 29 11.660 32.161 5.630 1.00 71.10 O ATOM 379 CB VAL A 29 12.518 29.254 4.733 1.00 0.43 C ATOM 380 CG1 VAL A 29 12.043 28.326 5.841 1.00 51.23 C ATOM 381 CG2 VAL A 29 13.047 28.459 3.550 1.00 71.35 C ATOM 0 H VAL A 29 12.753 31.016 2.935 1.00 3.21 H new ATOM 0 HA VAL A 29 10.507 29.593 4.028 1.00 72.54 H new ATOM 0 HB VAL A 29 13.333 29.862 5.126 1.00 0.43 H new ATOM 0 HG11 VAL A 29 12.860 27.671 6.142 1.00 51.23 H new ATOM 0 HG12 VAL A 29 11.718 28.918 6.697 1.00 51.23 H new ATOM 0 HG13 VAL A 29 11.210 27.724 5.479 1.00 51.23 H new ATOM 0 HG21 VAL A 29 13.850 27.802 3.883 1.00 71.35 H new ATOM 0 HG22 VAL A 29 12.242 27.861 3.124 1.00 71.35 H new ATOM 0 HG23 VAL A 29 13.429 29.144 2.793 1.00 71.35 H new ATOM 391 N GLU A 30 10.004 30.749 6.205 1.00 42.31 N ATOM 392 CA GLU A 30 9.564 31.554 7.338 1.00 30.15 C ATOM 393 C GLU A 30 9.426 30.696 8.593 1.00 14.42 C ATOM 394 O GLU A 30 8.473 29.929 8.732 1.00 13.20 O ATOM 395 CB GLU A 30 8.230 32.234 7.022 1.00 21.35 C ATOM 396 CG GLU A 30 7.942 33.444 7.894 1.00 3.44 C ATOM 397 CD GLU A 30 8.043 34.750 7.131 1.00 52.53 C ATOM 398 OE1 GLU A 30 8.768 34.790 6.115 1.00 2.42 O ATOM 399 OE2 GLU A 30 7.395 35.733 7.549 1.00 30.11 O ATOM 0 H GLU A 30 9.468 29.893 6.061 1.00 42.31 H new ATOM 0 HA GLU A 30 10.318 32.319 7.522 1.00 30.15 H new ATOM 0 HB2 GLU A 30 8.227 32.541 5.976 1.00 21.35 H new ATOM 0 HB3 GLU A 30 7.425 31.509 7.143 1.00 21.35 H new ATOM 0 HG2 GLU A 30 6.942 33.352 8.318 1.00 3.44 H new ATOM 0 HG3 GLU A 30 8.642 33.460 8.729 1.00 3.44 H new ATOM 406 N TYR A 31 10.383 30.832 9.504 1.00 43.14 N ATOM 407 CA TYR A 31 10.371 30.068 10.746 1.00 40.35 C ATOM 408 C TYR A 31 10.902 30.905 11.905 1.00 1.42 C ATOM 409 O TYR A 31 11.552 31.931 11.700 1.00 54.21 O ATOM 410 CB TYR A 31 11.207 28.797 10.595 1.00 64.50 C ATOM 411 CG TYR A 31 12.688 29.060 10.442 1.00 4.32 C ATOM 412 CD1 TYR A 31 13.499 29.252 11.554 1.00 34.44 C ATOM 413 CD2 TYR A 31 13.278 29.117 9.185 1.00 55.30 C ATOM 414 CE1 TYR A 31 14.852 29.494 11.419 1.00 31.42 C ATOM 415 CE2 TYR A 31 14.630 29.357 9.040 1.00 3.33 C ATOM 416 CZ TYR A 31 15.413 29.545 10.160 1.00 1.33 C ATOM 417 OH TYR A 31 16.761 29.785 10.021 1.00 20.25 O ATOM 0 H TYR A 31 11.177 31.464 9.406 1.00 43.14 H new ATOM 0 HA TYR A 31 9.339 29.792 10.964 1.00 40.35 H new ATOM 0 HB2 TYR A 31 11.048 28.162 11.466 1.00 64.50 H new ATOM 0 HB3 TYR A 31 10.854 28.241 9.727 1.00 64.50 H new ATOM 0 HD1 TYR A 31 13.063 29.211 12.541 1.00 34.44 H new ATOM 0 HD2 TYR A 31 12.668 28.971 8.306 1.00 55.30 H new ATOM 0 HE1 TYR A 31 15.467 29.642 12.294 1.00 31.42 H new ATOM 0 HE2 TYR A 31 15.072 29.397 8.055 1.00 3.33 H new ATOM 0 HH TYR A 31 17.098 30.232 10.825 1.00 20.25 H new ATOM 427 N CYS A 32 10.621 30.460 13.125 1.00 25.41 N ATOM 428 CA CYS A 32 11.070 31.165 14.320 1.00 54.25 C ATOM 429 C CYS A 32 12.566 30.962 14.542 1.00 35.13 C ATOM 430 O CYS A 32 12.998 29.899 14.987 1.00 15.01 O ATOM 431 CB CYS A 32 10.290 30.683 15.545 1.00 42.23 C ATOM 432 SG CYS A 32 10.941 31.300 17.130 1.00 5.12 S ATOM 0 H CYS A 32 10.084 29.613 13.312 1.00 25.41 H new ATOM 0 HA CYS A 32 10.884 32.229 14.175 1.00 54.25 H new ATOM 0 HB2 CYS A 32 9.250 30.994 15.446 1.00 42.23 H new ATOM 0 HB3 CYS A 32 10.297 29.593 15.561 1.00 42.23 H new ATOM 437 N GLU A 33 13.350 31.989 14.230 1.00 72.21 N ATOM 438 CA GLU A 33 14.797 31.922 14.396 1.00 50.04 C ATOM 439 C GLU A 33 15.164 31.577 15.836 1.00 63.20 C ATOM 440 O GLU A 33 15.783 30.550 16.116 1.00 2.24 O ATOM 441 CB GLU A 33 15.440 33.252 13.999 1.00 40.54 C ATOM 442 CG GLU A 33 16.002 33.260 12.587 1.00 74.33 C ATOM 443 CD GLU A 33 16.521 34.623 12.172 1.00 33.23 C ATOM 444 OE1 GLU A 33 17.432 35.142 12.850 1.00 51.43 O ATOM 445 OE2 GLU A 33 16.015 35.170 11.170 1.00 63.33 O ATOM 0 H GLU A 33 13.008 32.876 13.861 1.00 72.21 H new ATOM 0 HA GLU A 33 15.176 31.135 13.744 1.00 50.04 H new ATOM 0 HB2 GLU A 33 14.699 34.046 14.090 1.00 40.54 H new ATOM 0 HB3 GLU A 33 16.241 33.482 14.701 1.00 40.54 H new ATOM 0 HG2 GLU A 33 16.810 32.532 12.518 1.00 74.33 H new ATOM 0 HG3 GLU A 33 15.226 32.943 11.890 1.00 74.33 H new ATOM 452 N PRO A 34 14.775 32.455 16.772 1.00 32.11 N ATOM 453 CA PRO A 34 15.052 32.266 18.199 1.00 32.41 C ATOM 454 C PRO A 34 14.245 31.119 18.799 1.00 2.11 C ATOM 455 O PRO A 34 13.482 31.312 19.746 1.00 52.22 O ATOM 456 CB PRO A 34 14.631 33.599 18.822 1.00 32.11 C ATOM 457 CG PRO A 34 13.617 34.153 17.882 1.00 41.24 C ATOM 458 CD PRO A 34 14.034 33.700 16.510 1.00 75.13 C ATOM 0 HA PRO A 34 16.095 32.006 18.381 1.00 32.41 H new ATOM 0 HB2 PRO A 34 14.211 33.456 19.818 1.00 32.11 H new ATOM 0 HB3 PRO A 34 15.482 34.272 18.929 1.00 32.11 H new ATOM 0 HG2 PRO A 34 12.619 33.790 18.126 1.00 41.24 H new ATOM 0 HG3 PRO A 34 13.584 35.241 17.941 1.00 41.24 H new ATOM 0 HD2 PRO A 34 13.173 33.527 15.865 1.00 75.13 H new ATOM 0 HD3 PRO A 34 14.659 34.443 16.014 1.00 75.13 H new ATOM 466 N CYS A 35 14.419 29.925 18.243 1.00 63.20 N ATOM 467 CA CYS A 35 13.708 28.746 18.723 1.00 52.32 C ATOM 468 C CYS A 35 14.551 27.488 18.535 1.00 13.10 C ATOM 469 O CYS A 35 14.677 26.671 19.446 1.00 71.01 O ATOM 470 CB CYS A 35 12.375 28.595 17.987 1.00 31.12 C ATOM 471 SG CYS A 35 11.087 29.761 18.534 1.00 1.43 S ATOM 0 H CYS A 35 15.047 29.748 17.459 1.00 63.20 H new ATOM 0 HA CYS A 35 13.515 28.877 19.788 1.00 52.32 H new ATOM 0 HB2 CYS A 35 12.544 28.732 16.919 1.00 31.12 H new ATOM 0 HB3 CYS A 35 12.010 27.577 18.124 1.00 31.12 H new ATOM 476 N GLY A 36 15.126 27.340 17.346 1.00 44.04 N ATOM 477 CA GLY A 36 15.950 26.180 17.059 1.00 31.13 C ATOM 478 C GLY A 36 15.482 25.426 15.830 1.00 22.24 C ATOM 479 O GLY A 36 15.868 24.277 15.614 1.00 71.21 O ATOM 0 H GLY A 36 15.036 28.003 16.576 1.00 44.04 H new ATOM 0 HA2 GLY A 36 16.982 26.498 16.915 1.00 31.13 H new ATOM 0 HA3 GLY A 36 15.940 25.510 17.918 1.00 31.13 H new ATOM 483 N PHE A 37 14.647 26.072 15.024 1.00 43.34 N ATOM 484 CA PHE A 37 14.124 25.454 13.811 1.00 52.31 C ATOM 485 C PHE A 37 15.120 25.582 12.662 1.00 31.10 C ATOM 486 O PHE A 37 14.998 24.902 11.644 1.00 51.35 O ATOM 487 CB PHE A 37 12.792 26.097 13.420 1.00 53.34 C ATOM 488 CG PHE A 37 11.638 25.651 14.271 1.00 13.22 C ATOM 489 CD1 PHE A 37 11.610 25.936 15.627 1.00 34.40 C ATOM 490 CD2 PHE A 37 10.581 24.948 13.716 1.00 51.00 C ATOM 491 CE1 PHE A 37 10.549 25.526 16.413 1.00 62.51 C ATOM 492 CE2 PHE A 37 9.518 24.536 14.497 1.00 75.31 C ATOM 493 CZ PHE A 37 9.501 24.826 15.847 1.00 24.20 C ATOM 0 H PHE A 37 14.318 27.023 15.188 1.00 43.34 H new ATOM 0 HA PHE A 37 13.963 24.395 14.013 1.00 52.31 H new ATOM 0 HB2 PHE A 37 12.887 27.181 13.489 1.00 53.34 H new ATOM 0 HB3 PHE A 37 12.576 25.862 12.378 1.00 53.34 H new ATOM 0 HD1 PHE A 37 12.426 26.484 16.075 1.00 34.40 H new ATOM 0 HD2 PHE A 37 10.588 24.719 12.661 1.00 51.00 H new ATOM 0 HE1 PHE A 37 10.539 25.753 17.469 1.00 62.51 H new ATOM 0 HE2 PHE A 37 8.701 23.988 14.052 1.00 75.31 H new ATOM 0 HZ PHE A 37 8.670 24.506 16.459 1.00 24.20 H new ATOM 503 N GLU A 38 16.105 26.458 12.835 1.00 55.22 N ATOM 504 CA GLU A 38 17.121 26.676 11.812 1.00 73.11 C ATOM 505 C GLU A 38 17.981 25.429 11.625 1.00 13.23 C ATOM 506 O GLU A 38 18.712 25.308 10.643 1.00 1.21 O ATOM 507 CB GLU A 38 18.005 27.868 12.185 1.00 31.54 C ATOM 508 CG GLU A 38 19.062 28.191 11.143 1.00 3.13 C ATOM 509 CD GLU A 38 19.568 29.617 11.249 1.00 62.34 C ATOM 510 OE1 GLU A 38 18.853 30.459 11.830 1.00 3.13 O ATOM 511 OE2 GLU A 38 20.680 29.889 10.749 1.00 51.41 O ATOM 0 H GLU A 38 16.221 27.028 13.673 1.00 55.22 H new ATOM 0 HA GLU A 38 16.613 26.890 10.872 1.00 73.11 H new ATOM 0 HB2 GLU A 38 17.374 28.744 12.335 1.00 31.54 H new ATOM 0 HB3 GLU A 38 18.496 27.662 13.136 1.00 31.54 H new ATOM 0 HG2 GLU A 38 19.900 27.503 11.255 1.00 3.13 H new ATOM 0 HG3 GLU A 38 18.647 28.029 10.148 1.00 3.13 H new ATOM 518 N ALA A 39 17.887 24.505 12.576 1.00 51.21 N ATOM 519 CA ALA A 39 18.654 23.267 12.516 1.00 3.44 C ATOM 520 C ALA A 39 18.094 22.324 11.458 1.00 55.15 C ATOM 521 O ALA A 39 18.759 21.375 11.040 1.00 11.44 O ATOM 522 CB ALA A 39 18.667 22.588 13.878 1.00 53.12 C ATOM 0 H ALA A 39 17.287 24.591 13.397 1.00 51.21 H new ATOM 0 HA ALA A 39 19.678 23.516 12.236 1.00 3.44 H new ATOM 0 HB1 ALA A 39 19.243 21.665 13.819 1.00 53.12 H new ATOM 0 HB2 ALA A 39 19.122 23.253 14.612 1.00 53.12 H new ATOM 0 HB3 ALA A 39 17.645 22.359 14.180 1.00 53.12 H new ATOM 528 N THR A 40 16.864 22.590 11.026 1.00 64.11 N ATOM 529 CA THR A 40 16.213 21.764 10.017 1.00 23.21 C ATOM 530 C THR A 40 16.312 22.402 8.636 1.00 24.03 C ATOM 531 O THR A 40 16.224 21.717 7.617 1.00 21.43 O ATOM 532 CB THR A 40 14.729 21.528 10.356 1.00 3.41 C ATOM 533 OG1 THR A 40 14.605 21.031 11.693 1.00 21.11 O ATOM 534 CG2 THR A 40 14.102 20.543 9.382 1.00 34.54 C ATOM 0 H THR A 40 16.299 23.371 11.360 1.00 64.11 H new ATOM 0 HA THR A 40 16.733 20.806 10.010 1.00 23.21 H new ATOM 0 HB THR A 40 14.204 22.480 10.273 1.00 3.41 H new ATOM 0 HG1 THR A 40 13.659 20.885 11.901 1.00 21.11 H new ATOM 0 HG21 THR A 40 13.054 20.392 9.641 1.00 34.54 H new ATOM 0 HG22 THR A 40 14.172 20.939 8.369 1.00 34.54 H new ATOM 0 HG23 THR A 40 14.630 19.591 9.437 1.00 34.54 H new ATOM 542 N TYR A 41 16.497 23.717 8.610 1.00 51.14 N ATOM 543 CA TYR A 41 16.606 24.448 7.353 1.00 44.13 C ATOM 544 C TYR A 41 18.057 24.514 6.885 1.00 22.04 C ATOM 545 O TYR A 41 18.340 24.456 5.688 1.00 54.12 O ATOM 546 CB TYR A 41 16.045 25.862 7.510 1.00 10.24 C ATOM 547 CG TYR A 41 16.342 26.766 6.336 1.00 45.34 C ATOM 548 CD1 TYR A 41 15.760 26.540 5.095 1.00 73.34 C ATOM 549 CD2 TYR A 41 17.207 27.846 6.466 1.00 53.21 C ATOM 550 CE1 TYR A 41 16.029 27.363 4.018 1.00 20.41 C ATOM 551 CE2 TYR A 41 17.481 28.675 5.395 1.00 14.23 C ATOM 552 CZ TYR A 41 16.890 28.429 4.174 1.00 54.24 C ATOM 553 OH TYR A 41 17.161 29.252 3.104 1.00 20.33 O ATOM 0 H TYR A 41 16.575 24.298 9.444 1.00 51.14 H new ATOM 0 HA TYR A 41 16.024 23.915 6.601 1.00 44.13 H new ATOM 0 HB2 TYR A 41 14.965 25.802 7.647 1.00 10.24 H new ATOM 0 HB3 TYR A 41 16.457 26.309 8.415 1.00 10.24 H new ATOM 0 HD1 TYR A 41 15.085 25.706 4.970 1.00 73.34 H new ATOM 0 HD2 TYR A 41 17.673 28.041 7.421 1.00 53.21 H new ATOM 0 HE1 TYR A 41 15.568 27.173 3.060 1.00 20.41 H new ATOM 0 HE2 TYR A 41 18.154 29.511 5.514 1.00 14.23 H new ATOM 0 HH TYR A 41 17.785 29.955 3.382 1.00 20.33 H new ATOM 563 N LEU A 42 18.974 24.635 7.839 1.00 31.11 N ATOM 564 CA LEU A 42 20.397 24.708 7.527 1.00 22.04 C ATOM 565 C LEU A 42 20.950 23.329 7.180 1.00 1.43 C ATOM 566 O LEU A 42 21.983 23.213 6.522 1.00 71.23 O ATOM 567 CB LEU A 42 21.169 25.297 8.710 1.00 72.41 C ATOM 568 CG LEU A 42 22.388 26.150 8.358 1.00 71.11 C ATOM 569 CD1 LEU A 42 21.961 27.420 7.639 1.00 12.21 C ATOM 570 CD2 LEU A 42 23.184 26.486 9.611 1.00 75.41 C ATOM 0 H LEU A 42 18.757 24.685 8.835 1.00 31.11 H new ATOM 0 HA LEU A 42 20.521 25.357 6.660 1.00 22.04 H new ATOM 0 HB2 LEU A 42 20.483 25.905 9.299 1.00 72.41 H new ATOM 0 HB3 LEU A 42 21.497 24.477 9.349 1.00 72.41 H new ATOM 0 HG LEU A 42 23.028 25.576 7.688 1.00 71.11 H new ATOM 0 HD11 LEU A 42 22.842 28.014 7.396 1.00 12.21 H new ATOM 0 HD12 LEU A 42 21.435 27.159 6.721 1.00 12.21 H new ATOM 0 HD13 LEU A 42 21.299 27.998 8.284 1.00 12.21 H new ATOM 0 HD21 LEU A 42 24.048 27.093 9.341 1.00 75.41 H new ATOM 0 HD22 LEU A 42 22.553 27.041 10.305 1.00 75.41 H new ATOM 0 HD23 LEU A 42 23.522 25.565 10.085 1.00 75.41 H new ATOM 582 N GLU A 43 20.254 22.289 7.627 1.00 71.44 N ATOM 583 CA GLU A 43 20.675 20.918 7.361 1.00 5.14 C ATOM 584 C GLU A 43 20.323 20.507 5.935 1.00 44.04 C ATOM 585 O GLU A 43 20.956 19.622 5.357 1.00 30.33 O ATOM 586 CB GLU A 43 20.021 19.958 8.357 1.00 72.13 C ATOM 587 CG GLU A 43 20.826 19.759 9.630 1.00 15.42 C ATOM 588 CD GLU A 43 22.197 19.169 9.367 1.00 3.04 C ATOM 589 OE1 GLU A 43 22.271 17.976 9.005 1.00 1.40 O ATOM 590 OE2 GLU A 43 23.197 19.901 9.524 1.00 23.21 O ATOM 0 H GLU A 43 19.397 22.369 8.174 1.00 71.44 H new ATOM 0 HA GLU A 43 21.758 20.869 7.477 1.00 5.14 H new ATOM 0 HB2 GLU A 43 19.033 20.336 8.618 1.00 72.13 H new ATOM 0 HB3 GLU A 43 19.875 18.991 7.875 1.00 72.13 H new ATOM 0 HG2 GLU A 43 20.938 20.717 10.138 1.00 15.42 H new ATOM 0 HG3 GLU A 43 20.276 19.103 10.305 1.00 15.42 H new ATOM 597 N LEU A 44 19.310 21.155 5.372 1.00 53.43 N ATOM 598 CA LEU A 44 18.872 20.858 4.012 1.00 32.03 C ATOM 599 C LEU A 44 19.343 21.935 3.040 1.00 10.15 C ATOM 600 O LEU A 44 19.528 21.675 1.852 1.00 22.31 O ATOM 601 CB LEU A 44 17.348 20.740 3.961 1.00 55.12 C ATOM 602 CG LEU A 44 16.565 22.021 4.253 1.00 30.21 C ATOM 603 CD1 LEU A 44 16.379 22.835 2.982 1.00 61.31 C ATOM 604 CD2 LEU A 44 15.218 21.691 4.879 1.00 12.44 C ATOM 0 H LEU A 44 18.776 21.890 5.836 1.00 53.43 H new ATOM 0 HA LEU A 44 19.314 19.908 3.714 1.00 32.03 H new ATOM 0 HB2 LEU A 44 17.064 20.382 2.971 1.00 55.12 H new ATOM 0 HB3 LEU A 44 17.039 19.978 4.676 1.00 55.12 H new ATOM 0 HG LEU A 44 17.136 22.620 4.962 1.00 30.21 H new ATOM 0 HD11 LEU A 44 15.820 23.743 3.210 1.00 61.31 H new ATOM 0 HD12 LEU A 44 17.354 23.102 2.575 1.00 61.31 H new ATOM 0 HD13 LEU A 44 15.829 22.245 2.249 1.00 61.31 H new ATOM 0 HD21 LEU A 44 14.674 22.614 5.080 1.00 12.44 H new ATOM 0 HD22 LEU A 44 14.640 21.072 4.193 1.00 12.44 H new ATOM 0 HD23 LEU A 44 15.373 21.151 5.813 1.00 12.44 H new ATOM 616 N ALA A 45 19.537 23.145 3.555 1.00 51.11 N ATOM 617 CA ALA A 45 19.991 24.261 2.734 1.00 73.53 C ATOM 618 C ALA A 45 21.401 24.017 2.207 1.00 20.44 C ATOM 619 O ALA A 45 21.800 24.582 1.190 1.00 44.14 O ATOM 620 CB ALA A 45 19.939 25.557 3.529 1.00 72.32 C ATOM 0 H ALA A 45 19.387 23.377 4.537 1.00 51.11 H new ATOM 0 HA ALA A 45 19.321 24.346 1.878 1.00 73.53 H new ATOM 0 HB1 ALA A 45 20.281 26.382 2.903 1.00 72.32 H new ATOM 0 HB2 ALA A 45 18.915 25.746 3.851 1.00 72.32 H new ATOM 0 HB3 ALA A 45 20.584 25.474 4.404 1.00 72.32 H new ATOM 626 N SER A 46 22.151 23.172 2.908 1.00 62.13 N ATOM 627 CA SER A 46 23.519 22.857 2.513 1.00 22.22 C ATOM 628 C SER A 46 23.541 22.080 1.200 1.00 53.50 C ATOM 629 O SER A 46 24.558 22.037 0.509 1.00 72.14 O ATOM 630 CB SER A 46 24.215 22.047 3.609 1.00 72.00 C ATOM 631 OG SER A 46 25.621 22.213 3.551 1.00 70.21 O ATOM 0 H SER A 46 21.835 22.694 3.752 1.00 62.13 H new ATOM 0 HA SER A 46 24.054 23.796 2.369 1.00 22.22 H new ATOM 0 HB2 SER A 46 23.849 22.362 4.586 1.00 72.00 H new ATOM 0 HB3 SER A 46 23.965 20.992 3.500 1.00 72.00 H new ATOM 0 HG SER A 46 26.042 21.687 4.262 1.00 70.21 H new ATOM 637 N ALA A 47 22.410 21.469 0.863 1.00 30.30 N ATOM 638 CA ALA A 47 22.297 20.695 -0.367 1.00 41.44 C ATOM 639 C ALA A 47 21.472 21.441 -1.411 1.00 4.32 C ATOM 640 O ALA A 47 21.685 21.284 -2.613 1.00 73.22 O ATOM 641 CB ALA A 47 21.682 19.334 -0.080 1.00 60.34 C ATOM 0 H ALA A 47 21.559 21.495 1.425 1.00 30.30 H new ATOM 0 HA ALA A 47 23.300 20.550 -0.769 1.00 41.44 H new ATOM 0 HB1 ALA A 47 21.604 18.767 -1.008 1.00 60.34 H new ATOM 0 HB2 ALA A 47 22.312 18.791 0.625 1.00 60.34 H new ATOM 0 HB3 ALA A 47 20.689 19.467 0.349 1.00 60.34 H new ATOM 647 N VAL A 48 20.530 22.254 -0.943 1.00 71.23 N ATOM 648 CA VAL A 48 19.673 23.025 -1.836 1.00 61.43 C ATOM 649 C VAL A 48 20.494 23.975 -2.701 1.00 11.24 C ATOM 650 O VAL A 48 20.117 24.288 -3.830 1.00 74.00 O ATOM 651 CB VAL A 48 18.628 23.837 -1.049 1.00 1.12 C ATOM 652 CG1 VAL A 48 17.774 24.667 -1.994 1.00 53.45 C ATOM 653 CG2 VAL A 48 17.761 22.914 -0.205 1.00 44.24 C ATOM 0 H VAL A 48 20.341 22.396 0.049 1.00 71.23 H new ATOM 0 HA VAL A 48 19.158 22.309 -2.476 1.00 61.43 H new ATOM 0 HB VAL A 48 19.153 24.518 -0.379 1.00 1.12 H new ATOM 0 HG11 VAL A 48 17.041 25.234 -1.419 1.00 53.45 H new ATOM 0 HG12 VAL A 48 18.411 25.355 -2.550 1.00 53.45 H new ATOM 0 HG13 VAL A 48 17.257 24.008 -2.691 1.00 53.45 H new ATOM 0 HG21 VAL A 48 17.028 23.505 0.344 1.00 44.24 H new ATOM 0 HG22 VAL A 48 17.244 22.207 -0.853 1.00 44.24 H new ATOM 0 HG23 VAL A 48 18.389 22.368 0.499 1.00 44.24 H new ATOM 663 N LYS A 49 21.620 24.432 -2.163 1.00 14.13 N ATOM 664 CA LYS A 49 22.497 25.346 -2.884 1.00 51.32 C ATOM 665 C LYS A 49 23.221 24.626 -4.017 1.00 74.51 C ATOM 666 O LYS A 49 23.539 25.226 -5.043 1.00 11.02 O ATOM 667 CB LYS A 49 23.517 25.969 -1.928 1.00 33.42 C ATOM 668 CG LYS A 49 24.000 27.341 -2.363 1.00 11.21 C ATOM 669 CD LYS A 49 23.118 28.446 -1.805 1.00 74.44 C ATOM 670 CE LYS A 49 21.959 28.758 -2.740 1.00 14.15 C ATOM 671 NZ LYS A 49 21.429 30.133 -2.525 1.00 15.00 N ATOM 0 H LYS A 49 21.946 24.184 -1.229 1.00 14.13 H new ATOM 0 HA LYS A 49 21.881 26.136 -3.314 1.00 51.32 H new ATOM 0 HB2 LYS A 49 23.072 26.048 -0.936 1.00 33.42 H new ATOM 0 HB3 LYS A 49 24.375 25.302 -1.840 1.00 33.42 H new ATOM 0 HG2 LYS A 49 25.026 27.489 -2.028 1.00 11.21 H new ATOM 0 HG3 LYS A 49 24.009 27.396 -3.452 1.00 11.21 H new ATOM 0 HD2 LYS A 49 22.731 28.147 -0.831 1.00 74.44 H new ATOM 0 HD3 LYS A 49 23.714 29.345 -1.649 1.00 74.44 H new ATOM 0 HE2 LYS A 49 22.288 28.653 -3.774 1.00 14.15 H new ATOM 0 HE3 LYS A 49 21.161 28.032 -2.584 1.00 14.15 H new ATOM 0 HZ1 LYS A 49 20.641 30.308 -3.181 1.00 15.00 H new ATOM 0 HZ2 LYS A 49 21.092 30.226 -1.546 1.00 15.00 H new ATOM 0 HZ3 LYS A 49 22.184 30.827 -2.699 1.00 15.00 H new ATOM 685 N GLU A 50 23.476 23.335 -3.824 1.00 53.21 N ATOM 686 CA GLU A 50 24.161 22.534 -4.831 1.00 62.21 C ATOM 687 C GLU A 50 23.169 21.962 -5.840 1.00 12.32 C ATOM 688 O GLU A 50 23.548 21.220 -6.745 1.00 54.13 O ATOM 689 CB GLU A 50 24.941 21.397 -4.166 1.00 40.44 C ATOM 690 CG GLU A 50 26.199 21.001 -4.920 1.00 23.40 C ATOM 691 CD GLU A 50 25.939 19.942 -5.974 1.00 31.33 C ATOM 692 OE1 GLU A 50 25.082 19.065 -5.736 1.00 11.32 O ATOM 693 OE2 GLU A 50 26.593 19.990 -7.037 1.00 14.13 O ATOM 0 H GLU A 50 23.219 22.823 -2.980 1.00 53.21 H new ATOM 0 HA GLU A 50 24.858 23.183 -5.361 1.00 62.21 H new ATOM 0 HB2 GLU A 50 25.213 21.697 -3.154 1.00 40.44 H new ATOM 0 HB3 GLU A 50 24.292 20.526 -4.076 1.00 40.44 H new ATOM 0 HG2 GLU A 50 26.626 21.884 -5.395 1.00 23.40 H new ATOM 0 HG3 GLU A 50 26.940 20.630 -4.212 1.00 23.40 H new ATOM 700 N GLN A 51 21.898 22.314 -5.675 1.00 32.13 N ATOM 701 CA GLN A 51 20.851 21.835 -6.570 1.00 11.23 C ATOM 702 C GLN A 51 20.418 22.932 -7.537 1.00 12.02 C ATOM 703 O GLN A 51 20.515 22.774 -8.754 1.00 13.00 O ATOM 704 CB GLN A 51 19.647 21.345 -5.764 1.00 33.31 C ATOM 705 CG GLN A 51 19.762 19.896 -5.319 1.00 21.25 C ATOM 706 CD GLN A 51 19.863 18.933 -6.485 1.00 73.11 C ATOM 707 OE1 GLN A 51 20.957 18.627 -6.960 1.00 51.42 O ATOM 708 NE2 GLN A 51 18.719 18.449 -6.954 1.00 34.53 N ATOM 0 H GLN A 51 21.569 22.929 -4.931 1.00 32.13 H new ATOM 0 HA GLN A 51 21.254 21.004 -7.149 1.00 11.23 H new ATOM 0 HB2 GLN A 51 19.527 21.978 -4.885 1.00 33.31 H new ATOM 0 HB3 GLN A 51 18.746 21.461 -6.366 1.00 33.31 H new ATOM 0 HG2 GLN A 51 20.640 19.784 -4.683 1.00 21.25 H new ATOM 0 HG3 GLN A 51 18.894 19.636 -4.713 1.00 21.25 H new ATOM 0 HE21 GLN A 51 17.835 18.730 -6.530 1.00 34.53 H new ATOM 0 HE22 GLN A 51 18.725 17.797 -7.738 1.00 34.53 H new ATOM 717 N TYR A 52 19.940 24.043 -6.988 1.00 11.04 N ATOM 718 CA TYR A 52 19.489 25.165 -7.802 1.00 1.42 C ATOM 719 C TYR A 52 20.179 26.458 -7.378 1.00 4.14 C ATOM 720 O TYR A 52 19.591 27.322 -6.727 1.00 31.23 O ATOM 721 CB TYR A 52 17.972 25.325 -7.693 1.00 33.13 C ATOM 722 CG TYR A 52 17.199 24.127 -8.196 1.00 22.50 C ATOM 723 CD1 TYR A 52 17.578 23.471 -9.361 1.00 71.30 C ATOM 724 CD2 TYR A 52 16.090 23.651 -7.507 1.00 63.44 C ATOM 725 CE1 TYR A 52 16.875 22.376 -9.825 1.00 72.22 C ATOM 726 CE2 TYR A 52 15.382 22.556 -7.963 1.00 62.33 C ATOM 727 CZ TYR A 52 15.778 21.922 -9.123 1.00 21.24 C ATOM 728 OH TYR A 52 15.074 20.832 -9.581 1.00 25.42 O ATOM 0 H TYR A 52 19.855 24.191 -5.982 1.00 11.04 H new ATOM 0 HA TYR A 52 19.752 24.957 -8.839 1.00 1.42 H new ATOM 0 HB2 TYR A 52 17.708 25.506 -6.651 1.00 33.13 H new ATOM 0 HB3 TYR A 52 17.667 26.207 -8.257 1.00 33.13 H new ATOM 0 HD1 TYR A 52 18.437 23.823 -9.913 1.00 71.30 H new ATOM 0 HD2 TYR A 52 15.776 24.146 -6.600 1.00 63.44 H new ATOM 0 HE1 TYR A 52 17.183 21.878 -10.733 1.00 72.22 H new ATOM 0 HE2 TYR A 52 14.523 22.198 -7.415 1.00 62.33 H new ATOM 0 HH TYR A 52 14.331 20.642 -8.970 1.00 25.42 H new ATOM 738 N PRO A 53 21.459 26.596 -7.755 1.00 70.25 N ATOM 739 CA PRO A 53 22.258 27.780 -7.427 1.00 64.20 C ATOM 740 C PRO A 53 21.798 29.019 -8.187 1.00 43.12 C ATOM 741 O PRO A 53 22.257 30.129 -7.920 1.00 71.11 O ATOM 742 CB PRO A 53 23.673 27.383 -7.857 1.00 51.30 C ATOM 743 CG PRO A 53 23.473 26.352 -8.914 1.00 14.43 C ATOM 744 CD PRO A 53 22.224 25.606 -8.533 1.00 13.40 C ATOM 0 HA PRO A 53 22.177 28.047 -6.373 1.00 64.20 H new ATOM 0 HB2 PRO A 53 24.225 28.241 -8.240 1.00 51.30 H new ATOM 0 HB3 PRO A 53 24.244 26.985 -7.019 1.00 51.30 H new ATOM 0 HG2 PRO A 53 23.367 26.814 -9.895 1.00 14.43 H new ATOM 0 HG3 PRO A 53 24.328 25.679 -8.969 1.00 14.43 H new ATOM 0 HD2 PRO A 53 21.672 25.272 -9.411 1.00 13.40 H new ATOM 0 HD3 PRO A 53 22.450 24.719 -7.942 1.00 13.40 H new ATOM 752 N GLY A 54 20.888 28.822 -9.136 1.00 70.22 N ATOM 753 CA GLY A 54 20.381 29.933 -9.920 1.00 71.21 C ATOM 754 C GLY A 54 19.200 30.616 -9.260 1.00 53.54 C ATOM 755 O GLY A 54 19.067 31.839 -9.325 1.00 33.05 O ATOM 0 H GLY A 54 20.493 27.913 -9.376 1.00 70.22 H new ATOM 0 HA2 GLY A 54 21.179 30.660 -10.073 1.00 71.21 H new ATOM 0 HA3 GLY A 54 20.085 29.573 -10.905 1.00 71.21 H new ATOM 759 N ILE A 55 18.340 29.827 -8.626 1.00 74.24 N ATOM 760 CA ILE A 55 17.164 30.364 -7.953 1.00 74.11 C ATOM 761 C ILE A 55 17.560 31.299 -6.816 1.00 3.11 C ATOM 762 O ILE A 55 18.740 31.595 -6.626 1.00 35.44 O ATOM 763 CB ILE A 55 16.274 29.239 -7.391 1.00 51.32 C ATOM 764 CG1 ILE A 55 16.995 28.507 -6.257 1.00 52.34 C ATOM 765 CG2 ILE A 55 15.888 28.267 -8.496 1.00 25.10 C ATOM 766 CD1 ILE A 55 16.326 28.672 -4.910 1.00 44.35 C ATOM 0 H ILE A 55 18.435 28.813 -8.564 1.00 74.24 H new ATOM 0 HA ILE A 55 16.601 30.923 -8.700 1.00 74.11 H new ATOM 0 HB ILE A 55 15.363 29.683 -6.990 1.00 51.32 H new ATOM 0 HG12 ILE A 55 17.051 27.446 -6.498 1.00 52.34 H new ATOM 0 HG13 ILE A 55 18.019 28.874 -6.192 1.00 52.34 H new ATOM 0 HG21 ILE A 55 15.259 27.478 -8.083 1.00 25.10 H new ATOM 0 HG22 ILE A 55 15.339 28.799 -9.273 1.00 25.10 H new ATOM 0 HG23 ILE A 55 16.788 27.827 -8.924 1.00 25.10 H new ATOM 0 HD11 ILE A 55 16.891 28.127 -4.154 1.00 44.35 H new ATOM 0 HD12 ILE A 55 16.294 29.729 -4.647 1.00 44.35 H new ATOM 0 HD13 ILE A 55 15.310 28.279 -4.958 1.00 44.35 H new ATOM 778 N GLU A 56 16.567 31.760 -6.062 1.00 40.01 N ATOM 779 CA GLU A 56 16.813 32.661 -4.943 1.00 4.25 C ATOM 780 C GLU A 56 15.985 32.257 -3.726 1.00 53.35 C ATOM 781 O GLU A 56 14.767 32.438 -3.705 1.00 32.14 O ATOM 782 CB GLU A 56 16.489 34.103 -5.339 1.00 13.04 C ATOM 783 CG GLU A 56 17.694 34.884 -5.834 1.00 1.41 C ATOM 784 CD GLU A 56 18.630 35.288 -4.711 1.00 34.43 C ATOM 785 OE1 GLU A 56 19.148 34.388 -4.018 1.00 21.33 O ATOM 786 OE2 GLU A 56 18.843 36.504 -4.525 1.00 41.23 O ATOM 0 H GLU A 56 15.585 31.524 -6.206 1.00 40.01 H new ATOM 0 HA GLU A 56 17.869 32.593 -4.681 1.00 4.25 H new ATOM 0 HB2 GLU A 56 15.727 34.094 -6.119 1.00 13.04 H new ATOM 0 HB3 GLU A 56 16.060 34.619 -4.480 1.00 13.04 H new ATOM 0 HG2 GLU A 56 18.241 34.280 -6.558 1.00 1.41 H new ATOM 0 HG3 GLU A 56 17.353 35.778 -6.357 1.00 1.41 H new ATOM 793 N ILE A 57 16.654 31.710 -2.718 1.00 33.35 N ATOM 794 CA ILE A 57 15.980 31.281 -1.498 1.00 71.33 C ATOM 795 C ILE A 57 16.384 32.150 -0.312 1.00 74.12 C ATOM 796 O ILE A 57 17.539 32.142 0.111 1.00 62.45 O ATOM 797 CB ILE A 57 16.292 29.808 -1.171 1.00 54.40 C ATOM 798 CG1 ILE A 57 15.883 29.485 0.268 1.00 52.44 C ATOM 799 CG2 ILE A 57 17.770 29.520 -1.385 1.00 20.22 C ATOM 800 CD1 ILE A 57 14.416 29.725 0.547 1.00 13.42 C ATOM 0 H ILE A 57 17.662 31.553 -2.721 1.00 33.35 H new ATOM 0 HA ILE A 57 14.910 31.387 -1.675 1.00 71.33 H new ATOM 0 HB ILE A 57 15.717 29.172 -1.844 1.00 54.40 H new ATOM 0 HG12 ILE A 57 16.119 28.442 0.479 1.00 52.44 H new ATOM 0 HG13 ILE A 57 16.478 30.091 0.951 1.00 52.44 H new ATOM 0 HG21 ILE A 57 17.975 28.476 -1.150 1.00 20.22 H new ATOM 0 HG22 ILE A 57 18.032 29.716 -2.425 1.00 20.22 H new ATOM 0 HG23 ILE A 57 18.364 30.162 -0.734 1.00 20.22 H new ATOM 0 HD11 ILE A 57 14.197 29.475 1.585 1.00 13.42 H new ATOM 0 HD12 ILE A 57 14.178 30.774 0.368 1.00 13.42 H new ATOM 0 HD13 ILE A 57 13.813 29.099 -0.111 1.00 13.42 H new ATOM 812 N GLU A 58 15.422 32.898 0.221 1.00 24.50 N ATOM 813 CA GLU A 58 15.678 33.772 1.360 1.00 64.33 C ATOM 814 C GLU A 58 14.968 33.260 2.609 1.00 33.43 C ATOM 815 O GLU A 58 14.343 32.199 2.591 1.00 43.04 O ATOM 816 CB GLU A 58 15.222 35.198 1.049 1.00 52.55 C ATOM 817 CG GLU A 58 16.114 35.919 0.052 1.00 10.40 C ATOM 818 CD GLU A 58 15.659 37.341 -0.217 1.00 20.24 C ATOM 819 OE1 GLU A 58 14.586 37.513 -0.831 1.00 53.25 O ATOM 820 OE2 GLU A 58 16.376 38.280 0.187 1.00 13.05 O ATOM 0 H GLU A 58 14.460 32.916 -0.117 1.00 24.50 H new ATOM 0 HA GLU A 58 16.751 33.775 1.549 1.00 64.33 H new ATOM 0 HB2 GLU A 58 14.205 35.168 0.658 1.00 52.55 H new ATOM 0 HB3 GLU A 58 15.191 35.771 1.976 1.00 52.55 H new ATOM 0 HG2 GLU A 58 17.136 35.934 0.430 1.00 10.40 H new ATOM 0 HG3 GLU A 58 16.129 35.363 -0.885 1.00 10.40 H new ATOM 827 N SER A 59 15.068 34.021 3.694 1.00 4.11 N ATOM 828 CA SER A 59 14.440 33.643 4.954 1.00 14.33 C ATOM 829 C SER A 59 13.941 34.875 5.703 1.00 14.23 C ATOM 830 O SER A 59 14.351 35.999 5.414 1.00 53.41 O ATOM 831 CB SER A 59 15.426 32.866 5.828 1.00 0.11 C ATOM 832 OG SER A 59 16.753 33.321 5.628 1.00 50.31 O ATOM 0 H SER A 59 15.578 34.904 3.726 1.00 4.11 H new ATOM 0 HA SER A 59 13.586 33.005 4.728 1.00 14.33 H new ATOM 0 HB2 SER A 59 15.154 32.979 6.877 1.00 0.11 H new ATOM 0 HB3 SER A 59 15.364 31.803 5.595 1.00 0.11 H new ATOM 0 HG SER A 59 17.364 32.810 6.199 1.00 50.31 H new ATOM 838 N ARG A 60 13.053 34.655 6.667 1.00 32.53 N ATOM 839 CA ARG A 60 12.496 35.746 7.458 1.00 61.23 C ATOM 840 C ARG A 60 11.741 35.209 8.670 1.00 72.20 C ATOM 841 O ARG A 60 11.148 34.130 8.618 1.00 53.52 O ATOM 842 CB ARG A 60 11.562 36.601 6.599 1.00 22.23 C ATOM 843 CG ARG A 60 11.292 37.979 7.180 1.00 4.22 C ATOM 844 CD ARG A 60 10.272 38.744 6.351 1.00 65.53 C ATOM 845 NE ARG A 60 10.870 39.333 5.156 1.00 42.41 N ATOM 846 CZ ARG A 60 11.575 40.460 5.166 1.00 34.40 C ATOM 847 NH1 ARG A 60 11.769 41.114 6.303 1.00 73.22 N ATOM 848 NH2 ARG A 60 12.087 40.933 4.037 1.00 11.34 N ATOM 0 H ARG A 60 12.704 33.731 6.919 1.00 32.53 H new ATOM 0 HA ARG A 60 13.322 36.364 7.811 1.00 61.23 H new ATOM 0 HB2 ARG A 60 11.997 36.714 5.606 1.00 22.23 H new ATOM 0 HB3 ARG A 60 10.615 36.076 6.475 1.00 22.23 H new ATOM 0 HG2 ARG A 60 10.929 37.879 8.203 1.00 4.22 H new ATOM 0 HG3 ARG A 60 12.223 38.544 7.226 1.00 4.22 H new ATOM 0 HD2 ARG A 60 9.465 38.072 6.059 1.00 65.53 H new ATOM 0 HD3 ARG A 60 9.827 39.531 6.960 1.00 65.53 H new ATOM 0 HE ARG A 60 10.740 38.854 4.265 1.00 42.41 H new ATOM 0 HH11 ARG A 60 11.377 40.753 7.173 1.00 73.22 H new ATOM 0 HH12 ARG A 60 12.310 41.979 6.308 1.00 73.22 H new ATOM 0 HH21 ARG A 60 11.940 40.432 3.161 1.00 11.34 H new ATOM 0 HH22 ARG A 60 12.628 41.798 4.045 1.00 11.34 H new ATOM 862 N LEU A 61 11.767 35.967 9.760 1.00 2.13 N ATOM 863 CA LEU A 61 11.086 35.568 10.987 1.00 75.23 C ATOM 864 C LEU A 61 9.635 35.190 10.705 1.00 13.31 C ATOM 865 O LEU A 61 9.027 35.685 9.757 1.00 72.23 O ATOM 866 CB LEU A 61 11.140 36.699 12.015 1.00 33.11 C ATOM 867 CG LEU A 61 11.212 36.270 13.481 1.00 12.21 C ATOM 868 CD1 LEU A 61 12.611 35.786 13.827 1.00 22.24 C ATOM 869 CD2 LEU A 61 10.802 37.417 14.393 1.00 13.30 C ATOM 0 H LEU A 61 12.253 36.862 9.820 1.00 2.13 H new ATOM 0 HA LEU A 61 11.598 34.695 11.391 1.00 75.23 H new ATOM 0 HB2 LEU A 61 12.008 37.321 11.796 1.00 33.11 H new ATOM 0 HB3 LEU A 61 10.258 37.325 11.883 1.00 33.11 H new ATOM 0 HG LEU A 61 10.516 35.445 13.633 1.00 12.21 H new ATOM 0 HD11 LEU A 61 12.643 35.485 14.874 1.00 22.24 H new ATOM 0 HD12 LEU A 61 12.868 34.935 13.197 1.00 22.24 H new ATOM 0 HD13 LEU A 61 13.326 36.591 13.659 1.00 22.24 H new ATOM 0 HD21 LEU A 61 10.859 37.094 15.432 1.00 13.30 H new ATOM 0 HD22 LEU A 61 11.473 38.262 14.238 1.00 13.30 H new ATOM 0 HD23 LEU A 61 9.780 37.718 14.162 1.00 13.30 H new ATOM 881 N GLY A 62 9.085 34.312 11.538 1.00 73.42 N ATOM 882 CA GLY A 62 7.709 33.884 11.363 1.00 51.33 C ATOM 883 C GLY A 62 6.816 34.321 12.507 1.00 1.21 C ATOM 884 O GLY A 62 5.757 34.908 12.288 1.00 2.14 O ATOM 0 H GLY A 62 9.568 33.889 12.331 1.00 73.42 H new ATOM 0 HA2 GLY A 62 7.322 34.290 10.428 1.00 51.33 H new ATOM 0 HA3 GLY A 62 7.678 32.798 11.276 1.00 51.33 H new ATOM 888 N GLY A 63 7.243 34.033 13.733 1.00 65.12 N ATOM 889 CA GLY A 63 6.462 34.406 14.898 1.00 63.44 C ATOM 890 C GLY A 63 6.817 33.584 16.121 1.00 45.10 C ATOM 891 O GLY A 63 7.347 34.111 17.100 1.00 23.42 O ATOM 0 H GLY A 63 8.116 33.548 13.940 1.00 65.12 H new ATOM 0 HA2 GLY A 63 6.621 35.462 15.115 1.00 63.44 H new ATOM 0 HA3 GLY A 63 5.402 34.282 14.676 1.00 63.44 H new ATOM 895 N THR A 64 6.524 32.288 16.068 1.00 40.54 N ATOM 896 CA THR A 64 6.813 31.393 17.181 1.00 71.15 C ATOM 897 C THR A 64 6.535 29.942 16.805 1.00 64.11 C ATOM 898 O THR A 64 5.387 29.553 16.595 1.00 41.50 O ATOM 899 CB THR A 64 5.982 31.757 18.425 1.00 14.11 C ATOM 900 OG1 THR A 64 4.926 32.654 18.064 1.00 54.25 O ATOM 901 CG2 THR A 64 6.856 32.399 19.491 1.00 4.03 C ATOM 0 H THR A 64 6.087 31.835 15.266 1.00 40.54 H new ATOM 0 HA THR A 64 7.871 31.509 17.414 1.00 71.15 H new ATOM 0 HB THR A 64 5.556 30.839 18.831 1.00 14.11 H new ATOM 0 HG1 THR A 64 4.401 32.879 18.861 1.00 54.25 H new ATOM 0 HG21 THR A 64 6.247 32.647 20.360 1.00 4.03 H new ATOM 0 HG22 THR A 64 7.641 31.703 19.785 1.00 4.03 H new ATOM 0 HG23 THR A 64 7.307 33.308 19.093 1.00 4.03 H new ATOM 909 N GLY A 65 7.595 29.143 16.722 1.00 5.44 N ATOM 910 CA GLY A 65 7.444 27.743 16.372 1.00 0.25 C ATOM 911 C GLY A 65 6.629 27.546 15.110 1.00 71.02 C ATOM 912 O GLY A 65 5.658 26.790 15.102 1.00 60.15 O ATOM 0 H GLY A 65 8.556 29.441 16.891 1.00 5.44 H new ATOM 0 HA2 GLY A 65 8.429 27.297 16.238 1.00 0.25 H new ATOM 0 HA3 GLY A 65 6.965 27.215 17.196 1.00 0.25 H new ATOM 916 N ALA A 66 7.023 28.229 14.040 1.00 1.21 N ATOM 917 CA ALA A 66 6.322 28.125 12.766 1.00 3.13 C ATOM 918 C ALA A 66 7.282 27.755 11.640 1.00 31.25 C ATOM 919 O ALA A 66 8.500 27.839 11.797 1.00 42.54 O ATOM 920 CB ALA A 66 5.610 29.431 12.447 1.00 4.43 C ATOM 0 H ALA A 66 7.824 28.860 14.030 1.00 1.21 H new ATOM 0 HA ALA A 66 5.580 27.331 12.852 1.00 3.13 H new ATOM 0 HB1 ALA A 66 5.091 29.339 11.493 1.00 4.43 H new ATOM 0 HB2 ALA A 66 4.888 29.653 13.233 1.00 4.43 H new ATOM 0 HB3 ALA A 66 6.340 30.238 12.386 1.00 4.43 H new ATOM 926 N PHE A 67 6.725 27.343 10.506 1.00 2.41 N ATOM 927 CA PHE A 67 7.532 26.958 9.354 1.00 2.22 C ATOM 928 C PHE A 67 6.779 27.216 8.052 1.00 23.32 C ATOM 929 O PHE A 67 6.680 26.337 7.197 1.00 33.51 O ATOM 930 CB PHE A 67 7.921 25.481 9.448 1.00 2.41 C ATOM 931 CG PHE A 67 9.151 25.134 8.658 1.00 35.12 C ATOM 932 CD1 PHE A 67 10.412 25.431 9.148 1.00 30.55 C ATOM 933 CD2 PHE A 67 9.045 24.511 7.425 1.00 55.10 C ATOM 934 CE1 PHE A 67 11.545 25.112 8.424 1.00 24.23 C ATOM 935 CE2 PHE A 67 10.174 24.190 6.697 1.00 62.44 C ATOM 936 CZ PHE A 67 11.426 24.491 7.196 1.00 1.42 C ATOM 0 H PHE A 67 5.718 27.267 10.360 1.00 2.41 H new ATOM 0 HA PHE A 67 8.437 27.566 9.356 1.00 2.22 H new ATOM 0 HB2 PHE A 67 8.086 25.223 10.494 1.00 2.41 H new ATOM 0 HB3 PHE A 67 7.089 24.871 9.096 1.00 2.41 H new ATOM 0 HD1 PHE A 67 10.511 25.918 10.107 1.00 30.55 H new ATOM 0 HD2 PHE A 67 8.069 24.274 7.029 1.00 55.10 H new ATOM 0 HE1 PHE A 67 12.523 25.348 8.818 1.00 24.23 H new ATOM 0 HE2 PHE A 67 10.078 23.704 5.738 1.00 62.44 H new ATOM 0 HZ PHE A 67 12.310 24.241 6.628 1.00 1.42 H new ATOM 946 N GLU A 68 6.251 28.427 7.911 1.00 51.43 N ATOM 947 CA GLU A 68 5.506 28.800 6.714 1.00 52.01 C ATOM 948 C GLU A 68 6.428 28.878 5.501 1.00 63.32 C ATOM 949 O GLU A 68 7.387 29.650 5.486 1.00 41.34 O ATOM 950 CB GLU A 68 4.804 30.144 6.921 1.00 35.42 C ATOM 951 CG GLU A 68 3.619 30.071 7.871 1.00 44.44 C ATOM 952 CD GLU A 68 3.185 31.437 8.366 1.00 54.02 C ATOM 953 OE1 GLU A 68 3.418 32.431 7.647 1.00 12.33 O ATOM 954 OE2 GLU A 68 2.610 31.511 9.473 1.00 65.15 O ATOM 0 H GLU A 68 6.325 29.166 8.610 1.00 51.43 H new ATOM 0 HA GLU A 68 4.756 28.031 6.530 1.00 52.01 H new ATOM 0 HB2 GLU A 68 5.524 30.865 7.307 1.00 35.42 H new ATOM 0 HB3 GLU A 68 4.463 30.519 5.956 1.00 35.42 H new ATOM 0 HG2 GLU A 68 2.782 29.589 7.366 1.00 44.44 H new ATOM 0 HG3 GLU A 68 3.880 29.445 8.724 1.00 44.44 H new ATOM 961 N ILE A 69 6.132 28.072 4.487 1.00 74.11 N ATOM 962 CA ILE A 69 6.933 28.050 3.270 1.00 62.53 C ATOM 963 C ILE A 69 6.337 28.961 2.202 1.00 22.31 C ATOM 964 O ILE A 69 5.127 28.962 1.979 1.00 1.32 O ATOM 965 CB ILE A 69 7.055 26.623 2.702 1.00 53.12 C ATOM 966 CG1 ILE A 69 7.720 25.699 3.724 1.00 74.32 C ATOM 967 CG2 ILE A 69 7.842 26.637 1.400 1.00 24.43 C ATOM 968 CD1 ILE A 69 7.223 24.271 3.660 1.00 2.31 C ATOM 0 H ILE A 69 5.343 27.426 4.484 1.00 74.11 H new ATOM 0 HA ILE A 69 7.925 28.411 3.539 1.00 62.53 H new ATOM 0 HB ILE A 69 6.055 26.243 2.495 1.00 53.12 H new ATOM 0 HG12 ILE A 69 8.798 25.708 3.563 1.00 74.32 H new ATOM 0 HG13 ILE A 69 7.545 26.092 4.725 1.00 74.32 H new ATOM 0 HG21 ILE A 69 7.920 25.622 1.011 1.00 24.43 H new ATOM 0 HG22 ILE A 69 7.330 27.266 0.672 1.00 24.43 H new ATOM 0 HG23 ILE A 69 8.841 27.033 1.583 1.00 24.43 H new ATOM 0 HD11 ILE A 69 7.737 23.673 4.412 1.00 2.31 H new ATOM 0 HD12 ILE A 69 6.150 24.250 3.851 1.00 2.31 H new ATOM 0 HD13 ILE A 69 7.423 23.860 2.670 1.00 2.31 H new ATOM 980 N GLU A 70 7.196 29.733 1.544 1.00 3.01 N ATOM 981 CA GLU A 70 6.754 30.648 0.499 1.00 52.14 C ATOM 982 C GLU A 70 7.575 30.459 -0.774 1.00 20.34 C ATOM 983 O GLU A 70 8.628 31.074 -0.942 1.00 50.55 O ATOM 984 CB GLU A 70 6.863 32.097 0.978 1.00 21.03 C ATOM 985 CG GLU A 70 6.183 32.349 2.313 1.00 13.12 C ATOM 986 CD GLU A 70 5.719 33.784 2.470 1.00 43.40 C ATOM 987 OE1 GLU A 70 4.599 34.100 2.017 1.00 21.44 O ATOM 988 OE2 GLU A 70 6.478 34.592 3.046 1.00 52.51 O ATOM 0 H GLU A 70 8.201 29.743 1.716 1.00 3.01 H new ATOM 0 HA GLU A 70 5.711 30.424 0.275 1.00 52.14 H new ATOM 0 HB2 GLU A 70 7.916 32.366 1.060 1.00 21.03 H new ATOM 0 HB3 GLU A 70 6.424 32.753 0.227 1.00 21.03 H new ATOM 0 HG2 GLU A 70 5.327 31.681 2.412 1.00 13.12 H new ATOM 0 HG3 GLU A 70 6.873 32.104 3.120 1.00 13.12 H new ATOM 995 N ILE A 71 7.086 29.603 -1.664 1.00 70.34 N ATOM 996 CA ILE A 71 7.774 29.332 -2.921 1.00 14.42 C ATOM 997 C ILE A 71 7.904 30.599 -3.760 1.00 14.01 C ATOM 998 O ILE A 71 8.817 30.725 -4.574 1.00 41.12 O ATOM 999 CB ILE A 71 7.040 28.258 -3.744 1.00 73.44 C ATOM 1000 CG1 ILE A 71 7.793 27.979 -5.047 1.00 1.14 C ATOM 1001 CG2 ILE A 71 5.612 28.696 -4.035 1.00 43.33 C ATOM 1002 CD1 ILE A 71 9.202 27.472 -4.833 1.00 21.00 C ATOM 0 H ILE A 71 6.216 29.085 -1.539 1.00 70.34 H new ATOM 0 HA ILE A 71 8.768 28.965 -2.665 1.00 14.42 H new ATOM 0 HB ILE A 71 7.005 27.337 -3.162 1.00 73.44 H new ATOM 0 HG12 ILE A 71 7.236 27.245 -5.629 1.00 1.14 H new ATOM 0 HG13 ILE A 71 7.830 28.894 -5.639 1.00 1.14 H new ATOM 0 HG21 ILE A 71 5.107 27.926 -4.618 1.00 43.33 H new ATOM 0 HG22 ILE A 71 5.080 28.848 -3.096 1.00 43.33 H new ATOM 0 HG23 ILE A 71 5.625 29.628 -4.600 1.00 43.33 H new ATOM 0 HD11 ILE A 71 9.676 27.296 -5.799 1.00 21.00 H new ATOM 0 HD12 ILE A 71 9.775 28.214 -4.278 1.00 21.00 H new ATOM 0 HD13 ILE A 71 9.172 26.540 -4.268 1.00 21.00 H new ATOM 1014 N ASN A 72 6.984 31.536 -3.554 1.00 33.13 N ATOM 1015 CA ASN A 72 6.996 32.794 -4.290 1.00 50.54 C ATOM 1016 C ASN A 72 6.555 33.951 -3.399 1.00 4.24 C ATOM 1017 O ASN A 72 5.734 34.777 -3.795 1.00 62.13 O ATOM 1018 CB ASN A 72 6.082 32.702 -5.514 1.00 11.21 C ATOM 1019 CG ASN A 72 6.797 32.143 -6.729 1.00 34.22 C ATOM 1020 OD1 ASN A 72 7.233 32.890 -7.605 1.00 30.13 O ATOM 1021 ND2 ASN A 72 6.919 30.822 -6.787 1.00 22.23 N ATOM 0 H ASN A 72 6.221 31.447 -2.883 1.00 33.13 H new ATOM 0 HA ASN A 72 8.018 32.982 -4.620 1.00 50.54 H new ATOM 0 HB2 ASN A 72 5.225 32.071 -5.278 1.00 11.21 H new ATOM 0 HB3 ASN A 72 5.693 33.693 -5.749 1.00 11.21 H new ATOM 0 HD21 ASN A 72 7.390 30.388 -7.581 1.00 22.23 H new ATOM 0 HD22 ASN A 72 6.542 30.242 -6.038 1.00 22.23 H new ATOM 1028 N GLY A 73 7.108 34.004 -2.191 1.00 5.15 N ATOM 1029 CA GLY A 73 6.761 35.063 -1.261 1.00 40.33 C ATOM 1030 C GLY A 73 5.326 34.967 -0.783 1.00 11.21 C ATOM 1031 O GLY A 73 4.810 35.895 -0.160 1.00 72.23 O ATOM 0 H GLY A 73 7.790 33.332 -1.840 1.00 5.15 H new ATOM 0 HA2 GLY A 73 7.430 35.022 -0.402 1.00 40.33 H new ATOM 0 HA3 GLY A 73 6.917 36.029 -1.741 1.00 40.33 H new ATOM 1035 N GLN A 74 4.680 33.843 -1.076 1.00 1.02 N ATOM 1036 CA GLN A 74 3.295 33.631 -0.673 1.00 11.20 C ATOM 1037 C GLN A 74 3.112 32.248 -0.058 1.00 24.24 C ATOM 1038 O GLN A 74 3.374 31.231 -0.702 1.00 34.23 O ATOM 1039 CB GLN A 74 2.362 33.796 -1.874 1.00 34.53 C ATOM 1040 CG GLN A 74 1.986 35.241 -2.159 1.00 34.42 C ATOM 1041 CD GLN A 74 0.722 35.362 -2.987 1.00 52.23 C ATOM 1042 OE1 GLN A 74 -0.369 35.563 -2.452 1.00 5.05 O ATOM 1043 NE2 GLN A 74 0.862 35.241 -4.302 1.00 53.22 N ATOM 0 H GLN A 74 5.093 33.066 -1.591 1.00 1.02 H new ATOM 0 HA GLN A 74 3.043 34.378 0.079 1.00 11.20 H new ATOM 0 HB2 GLN A 74 2.842 33.373 -2.757 1.00 34.53 H new ATOM 0 HB3 GLN A 74 1.453 33.221 -1.699 1.00 34.53 H new ATOM 0 HG2 GLN A 74 1.850 35.770 -1.216 1.00 34.42 H new ATOM 0 HG3 GLN A 74 2.807 35.730 -2.683 1.00 34.42 H new ATOM 0 HE21 GLN A 74 1.785 35.075 -4.703 1.00 53.22 H new ATOM 0 HE22 GLN A 74 0.047 35.314 -4.911 1.00 53.22 H new ATOM 1052 N LEU A 75 2.663 32.216 1.192 1.00 1.31 N ATOM 1053 CA LEU A 75 2.446 30.957 1.896 1.00 73.15 C ATOM 1054 C LEU A 75 1.568 30.019 1.074 1.00 72.44 C ATOM 1055 O LEU A 75 0.375 30.265 0.894 1.00 1.23 O ATOM 1056 CB LEU A 75 1.799 31.216 3.258 1.00 65.24 C ATOM 1057 CG LEU A 75 1.546 29.983 4.126 1.00 61.45 C ATOM 1058 CD1 LEU A 75 2.843 29.229 4.374 1.00 5.23 C ATOM 1059 CD2 LEU A 75 0.898 30.382 5.443 1.00 31.12 C ATOM 0 H LEU A 75 2.442 33.048 1.739 1.00 1.31 H new ATOM 0 HA LEU A 75 3.415 30.481 2.046 1.00 73.15 H new ATOM 0 HB2 LEU A 75 2.435 31.904 3.815 1.00 65.24 H new ATOM 0 HB3 LEU A 75 0.848 31.723 3.096 1.00 65.24 H new ATOM 0 HG LEU A 75 0.862 29.322 3.594 1.00 61.45 H new ATOM 0 HD11 LEU A 75 2.643 28.355 4.994 1.00 5.23 H new ATOM 0 HD12 LEU A 75 3.266 28.910 3.422 1.00 5.23 H new ATOM 0 HD13 LEU A 75 3.551 29.881 4.885 1.00 5.23 H new ATOM 0 HD21 LEU A 75 0.725 29.492 6.048 1.00 31.12 H new ATOM 0 HD22 LEU A 75 1.557 31.064 5.981 1.00 31.12 H new ATOM 0 HD23 LEU A 75 -0.053 30.877 5.245 1.00 31.12 H new ATOM 1071 N VAL A 76 2.166 28.940 0.578 1.00 72.05 N ATOM 1072 CA VAL A 76 1.438 27.962 -0.223 1.00 10.34 C ATOM 1073 C VAL A 76 1.401 26.604 0.469 1.00 42.11 C ATOM 1074 O VAL A 76 0.582 25.748 0.135 1.00 22.53 O ATOM 1075 CB VAL A 76 2.068 27.799 -1.618 1.00 62.55 C ATOM 1076 CG1 VAL A 76 1.258 26.824 -2.460 1.00 14.34 C ATOM 1077 CG2 VAL A 76 2.183 29.147 -2.312 1.00 50.44 C ATOM 0 H VAL A 76 3.153 28.721 0.717 1.00 72.05 H new ATOM 0 HA VAL A 76 0.421 28.337 -0.334 1.00 10.34 H new ATOM 0 HB VAL A 76 3.072 27.391 -1.498 1.00 62.55 H new ATOM 0 HG11 VAL A 76 1.719 26.722 -3.443 1.00 14.34 H new ATOM 0 HG12 VAL A 76 1.233 25.852 -1.968 1.00 14.34 H new ATOM 0 HG13 VAL A 76 0.241 27.199 -2.574 1.00 14.34 H new ATOM 0 HG21 VAL A 76 2.630 29.012 -3.297 1.00 50.44 H new ATOM 0 HG22 VAL A 76 1.191 29.586 -2.421 1.00 50.44 H new ATOM 0 HG23 VAL A 76 2.810 29.811 -1.716 1.00 50.44 H new ATOM 1087 N PHE A 77 2.294 26.414 1.435 1.00 72.22 N ATOM 1088 CA PHE A 77 2.364 25.159 2.174 1.00 23.12 C ATOM 1089 C PHE A 77 2.995 25.371 3.547 1.00 1.33 C ATOM 1090 O PHE A 77 4.172 25.715 3.655 1.00 23.31 O ATOM 1091 CB PHE A 77 3.168 24.122 1.386 1.00 10.51 C ATOM 1092 CG PHE A 77 2.396 23.494 0.262 1.00 73.33 C ATOM 1093 CD1 PHE A 77 1.313 22.670 0.523 1.00 21.50 C ATOM 1094 CD2 PHE A 77 2.753 23.727 -1.057 1.00 31.43 C ATOM 1095 CE1 PHE A 77 0.600 22.090 -0.509 1.00 61.44 C ATOM 1096 CE2 PHE A 77 2.043 23.150 -2.093 1.00 64.11 C ATOM 1097 CZ PHE A 77 0.967 22.329 -1.819 1.00 55.42 C ATOM 0 H PHE A 77 2.979 27.113 1.724 1.00 72.22 H new ATOM 0 HA PHE A 77 1.347 24.791 2.313 1.00 23.12 H new ATOM 0 HB2 PHE A 77 4.061 24.598 0.981 1.00 10.51 H new ATOM 0 HB3 PHE A 77 3.504 23.340 2.067 1.00 10.51 H new ATOM 0 HD1 PHE A 77 1.023 22.479 1.545 1.00 21.50 H new ATOM 0 HD2 PHE A 77 3.595 24.366 -1.278 1.00 31.43 H new ATOM 0 HE1 PHE A 77 -0.243 21.451 -0.292 1.00 61.44 H new ATOM 0 HE2 PHE A 77 2.330 23.341 -3.117 1.00 64.11 H new ATOM 0 HZ PHE A 77 0.413 21.875 -2.627 1.00 55.42 H new ATOM 1107 N SER A 78 2.203 25.165 4.594 1.00 14.13 N ATOM 1108 CA SER A 78 2.681 25.338 5.961 1.00 60.11 C ATOM 1109 C SER A 78 2.950 23.987 6.617 1.00 1.22 C ATOM 1110 O SER A 78 2.321 22.984 6.281 1.00 62.40 O ATOM 1111 CB SER A 78 1.660 26.124 6.786 1.00 50.04 C ATOM 1112 OG SER A 78 1.032 27.123 6.001 1.00 14.13 O ATOM 0 H SER A 78 1.227 24.878 4.522 1.00 14.13 H new ATOM 0 HA SER A 78 3.616 25.898 5.925 1.00 60.11 H new ATOM 0 HB2 SER A 78 0.908 25.443 7.184 1.00 50.04 H new ATOM 0 HB3 SER A 78 2.156 26.586 7.640 1.00 50.04 H new ATOM 0 HG SER A 78 0.189 27.389 6.423 1.00 14.13 H new ATOM 1118 N LYS A 79 3.890 23.970 7.556 1.00 30.33 N ATOM 1119 CA LYS A 79 4.244 22.744 8.263 1.00 52.24 C ATOM 1120 C LYS A 79 3.421 22.595 9.538 1.00 21.53 C ATOM 1121 O LYS A 79 3.260 21.490 10.059 1.00 12.02 O ATOM 1122 CB LYS A 79 5.736 22.739 8.602 1.00 41.41 C ATOM 1123 CG LYS A 79 6.384 21.372 8.475 1.00 63.30 C ATOM 1124 CD LYS A 79 7.443 21.155 9.543 1.00 44.31 C ATOM 1125 CE LYS A 79 8.827 21.543 9.043 1.00 75.12 C ATOM 1126 NZ LYS A 79 9.894 20.707 9.660 1.00 54.14 N ATOM 0 H LYS A 79 4.421 24.792 7.845 1.00 30.33 H new ATOM 0 HA LYS A 79 4.024 21.900 7.609 1.00 52.24 H new ATOM 0 HB2 LYS A 79 6.252 23.439 7.944 1.00 41.41 H new ATOM 0 HB3 LYS A 79 5.870 23.102 9.621 1.00 41.41 H new ATOM 0 HG2 LYS A 79 5.621 20.598 8.556 1.00 63.30 H new ATOM 0 HG3 LYS A 79 6.836 21.273 7.488 1.00 63.30 H new ATOM 0 HD2 LYS A 79 7.196 21.743 10.427 1.00 44.31 H new ATOM 0 HD3 LYS A 79 7.445 20.108 9.847 1.00 44.31 H new ATOM 0 HE2 LYS A 79 8.864 21.437 7.959 1.00 75.12 H new ATOM 0 HE3 LYS A 79 9.013 22.593 9.268 1.00 75.12 H new ATOM 0 HZ1 LYS A 79 10.822 21.002 9.294 1.00 54.14 H new ATOM 0 HZ2 LYS A 79 9.875 20.827 10.693 1.00 54.14 H new ATOM 0 HZ3 LYS A 79 9.731 19.707 9.425 1.00 54.14 H new ATOM 1140 N LEU A 80 2.902 23.711 10.036 1.00 13.21 N ATOM 1141 CA LEU A 80 2.094 23.704 11.251 1.00 54.13 C ATOM 1142 C LEU A 80 0.683 23.199 10.963 1.00 2.24 C ATOM 1143 O LEU A 80 -0.058 22.846 11.880 1.00 51.22 O ATOM 1144 CB LEU A 80 2.032 25.108 11.854 1.00 12.40 C ATOM 1145 CG LEU A 80 3.014 25.394 12.991 1.00 51.44 C ATOM 1146 CD1 LEU A 80 4.431 25.029 12.576 1.00 12.03 C ATOM 1147 CD2 LEU A 80 2.938 26.856 13.406 1.00 51.52 C ATOM 0 H LEU A 80 3.026 24.633 9.618 1.00 13.21 H new ATOM 0 HA LEU A 80 2.563 23.029 11.966 1.00 54.13 H new ATOM 0 HB2 LEU A 80 2.208 25.832 11.058 1.00 12.40 H new ATOM 0 HB3 LEU A 80 1.021 25.279 12.223 1.00 12.40 H new ATOM 0 HG LEU A 80 2.738 24.779 13.848 1.00 51.44 H new ATOM 0 HD11 LEU A 80 5.116 25.239 13.397 1.00 12.03 H new ATOM 0 HD12 LEU A 80 4.476 23.968 12.328 1.00 12.03 H new ATOM 0 HD13 LEU A 80 4.718 25.617 11.705 1.00 12.03 H new ATOM 0 HD21 LEU A 80 3.643 27.041 14.216 1.00 51.52 H new ATOM 0 HD22 LEU A 80 3.188 27.489 12.555 1.00 51.52 H new ATOM 0 HD23 LEU A 80 1.928 27.086 13.745 1.00 51.52 H new ATOM 1159 N GLU A 81 0.321 23.166 9.685 1.00 50.13 N ATOM 1160 CA GLU A 81 -1.000 22.703 9.278 1.00 73.34 C ATOM 1161 C GLU A 81 -0.928 21.293 8.697 1.00 5.24 C ATOM 1162 O GLU A 81 -1.663 20.400 9.115 1.00 21.14 O ATOM 1163 CB GLU A 81 -1.606 23.659 8.248 1.00 2.21 C ATOM 1164 CG GLU A 81 -1.713 25.093 8.739 1.00 14.10 C ATOM 1165 CD GLU A 81 -2.716 25.250 9.866 1.00 4.21 C ATOM 1166 OE1 GLU A 81 -3.888 24.864 9.675 1.00 41.02 O ATOM 1167 OE2 GLU A 81 -2.328 25.759 10.938 1.00 14.25 O ATOM 0 H GLU A 81 0.923 23.454 8.914 1.00 50.13 H new ATOM 0 HA GLU A 81 -1.637 22.682 10.163 1.00 73.34 H new ATOM 0 HB2 GLU A 81 -0.998 23.638 7.343 1.00 2.21 H new ATOM 0 HB3 GLU A 81 -2.599 23.303 7.974 1.00 2.21 H new ATOM 0 HG2 GLU A 81 -0.734 25.431 9.079 1.00 14.10 H new ATOM 0 HG3 GLU A 81 -2.002 25.737 7.908 1.00 14.10 H new ATOM 1174 N ASN A 82 -0.035 21.103 7.731 1.00 73.22 N ATOM 1175 CA ASN A 82 0.133 19.803 7.092 1.00 65.24 C ATOM 1176 C ASN A 82 0.297 18.701 8.134 1.00 5.23 C ATOM 1177 O ASN A 82 -0.429 17.708 8.123 1.00 3.20 O ATOM 1178 CB ASN A 82 1.347 19.823 6.160 1.00 53.23 C ATOM 1179 CG ASN A 82 1.563 18.493 5.464 1.00 44.45 C ATOM 1180 OD1 ASN A 82 0.922 18.196 4.456 1.00 35.30 O ATOM 1181 ND2 ASN A 82 2.471 17.686 6.000 1.00 44.25 N ATOM 0 H ASN A 82 0.583 21.832 7.374 1.00 73.22 H new ATOM 0 HA ASN A 82 -0.763 19.595 6.507 1.00 65.24 H new ATOM 0 HB2 ASN A 82 1.214 20.604 5.412 1.00 53.23 H new ATOM 0 HB3 ASN A 82 2.238 20.079 6.734 1.00 53.23 H new ATOM 0 HD21 ASN A 82 2.661 16.778 5.575 1.00 44.25 H new ATOM 0 HD22 ASN A 82 2.979 17.974 6.837 1.00 44.25 H new ATOM 1188 N GLY A 83 1.258 18.885 9.036 1.00 74.03 N ATOM 1189 CA GLY A 83 1.500 17.899 10.073 1.00 14.41 C ATOM 1190 C GLY A 83 2.818 18.122 10.788 1.00 74.10 C ATOM 1191 O GLY A 83 2.917 17.921 11.998 1.00 44.14 O ATOM 0 H GLY A 83 1.872 19.699 9.066 1.00 74.03 H new ATOM 0 HA2 GLY A 83 0.687 17.931 10.798 1.00 14.41 H new ATOM 0 HA3 GLY A 83 1.494 16.903 9.631 1.00 14.41 H new ATOM 1236 N TYR A 87 8.417 16.941 2.884 1.00 4.41 N ATOM 1237 CA TYR A 87 9.288 16.110 2.061 1.00 12.12 C ATOM 1238 C TYR A 87 10.348 16.956 1.363 1.00 50.03 C ATOM 1239 O TYR A 87 10.035 17.965 0.732 1.00 61.03 O ATOM 1240 CB TYR A 87 8.465 15.345 1.023 1.00 30.34 C ATOM 1241 CG TYR A 87 7.224 14.696 1.593 1.00 21.45 C ATOM 1242 CD1 TYR A 87 7.316 13.739 2.598 1.00 55.44 C ATOM 1243 CD2 TYR A 87 5.961 15.037 1.128 1.00 54.43 C ATOM 1244 CE1 TYR A 87 6.185 13.143 3.121 1.00 14.01 C ATOM 1245 CE2 TYR A 87 4.824 14.447 1.646 1.00 3.43 C ATOM 1246 CZ TYR A 87 4.941 13.501 2.643 1.00 65.34 C ATOM 1247 OH TYR A 87 3.812 12.910 3.161 1.00 60.41 O ATOM 0 HA TYR A 87 9.791 15.397 2.714 1.00 12.12 H new ATOM 0 HB2 TYR A 87 8.174 16.030 0.226 1.00 30.34 H new ATOM 0 HB3 TYR A 87 9.091 14.577 0.570 1.00 30.34 H new ATOM 0 HD1 TYR A 87 8.288 13.457 2.976 1.00 55.44 H new ATOM 0 HD2 TYR A 87 5.866 15.777 0.347 1.00 54.43 H new ATOM 0 HE1 TYR A 87 6.274 12.400 3.900 1.00 14.01 H new ATOM 0 HE2 TYR A 87 3.849 14.725 1.272 1.00 3.43 H new ATOM 0 HH TYR A 87 3.019 13.275 2.716 1.00 60.41 H new ATOM 1257 N GLU A 88 11.604 16.536 1.481 1.00 74.52 N ATOM 1258 CA GLU A 88 12.711 17.254 0.861 1.00 13.31 C ATOM 1259 C GLU A 88 12.452 17.474 -0.627 1.00 12.14 C ATOM 1260 O GLU A 88 12.871 18.480 -1.200 1.00 24.31 O ATOM 1261 CB GLU A 88 14.019 16.485 1.054 1.00 21.11 C ATOM 1262 CG GLU A 88 14.004 15.095 0.441 1.00 33.42 C ATOM 1263 CD GLU A 88 14.949 14.138 1.141 1.00 24.02 C ATOM 1264 OE1 GLU A 88 16.177 14.277 0.960 1.00 51.41 O ATOM 1265 OE2 GLU A 88 14.461 13.250 1.871 1.00 60.21 O ATOM 0 H GLU A 88 11.880 15.702 2.000 1.00 74.52 H new ATOM 0 HA GLU A 88 12.795 18.227 1.345 1.00 13.31 H new ATOM 0 HB2 GLU A 88 14.836 17.058 0.615 1.00 21.11 H new ATOM 0 HB3 GLU A 88 14.227 16.400 2.121 1.00 21.11 H new ATOM 0 HG2 GLU A 88 12.991 14.695 0.483 1.00 33.42 H new ATOM 0 HG3 GLU A 88 14.277 15.164 -0.612 1.00 33.42 H new ATOM 1272 N LYS A 89 11.758 16.526 -1.247 1.00 20.33 N ATOM 1273 CA LYS A 89 11.441 16.614 -2.667 1.00 63.33 C ATOM 1274 C LYS A 89 10.257 17.545 -2.904 1.00 51.20 C ATOM 1275 O LYS A 89 10.144 18.164 -3.962 1.00 75.03 O ATOM 1276 CB LYS A 89 11.131 15.224 -3.229 1.00 2.23 C ATOM 1277 CG LYS A 89 9.857 14.614 -2.672 1.00 32.33 C ATOM 1278 CD LYS A 89 9.504 13.316 -3.380 1.00 2.32 C ATOM 1279 CE LYS A 89 8.719 12.382 -2.472 1.00 70.34 C ATOM 1280 NZ LYS A 89 8.782 10.970 -2.942 1.00 61.01 N ATOM 0 H LYS A 89 11.404 15.687 -0.788 1.00 20.33 H new ATOM 0 HA LYS A 89 12.310 17.022 -3.183 1.00 63.33 H new ATOM 0 HB2 LYS A 89 11.048 15.290 -4.314 1.00 2.23 H new ATOM 0 HB3 LYS A 89 11.967 14.559 -3.013 1.00 2.23 H new ATOM 0 HG2 LYS A 89 9.979 14.426 -1.605 1.00 32.33 H new ATOM 0 HG3 LYS A 89 9.036 15.323 -2.779 1.00 32.33 H new ATOM 0 HD2 LYS A 89 8.918 13.535 -4.273 1.00 2.32 H new ATOM 0 HD3 LYS A 89 10.417 12.821 -3.711 1.00 2.32 H new ATOM 0 HE2 LYS A 89 9.113 12.445 -1.458 1.00 70.34 H new ATOM 0 HE3 LYS A 89 7.679 12.705 -2.430 1.00 70.34 H new ATOM 0 HZ1 LYS A 89 8.235 10.365 -2.297 1.00 61.01 H new ATOM 0 HZ2 LYS A 89 8.383 10.905 -3.900 1.00 61.01 H new ATOM 0 HZ3 LYS A 89 9.772 10.653 -2.957 1.00 61.01 H new ATOM 1294 N ASP A 90 9.378 17.641 -1.912 1.00 42.03 N ATOM 1295 CA ASP A 90 8.203 18.499 -2.012 1.00 5.51 C ATOM 1296 C ASP A 90 8.586 19.966 -1.837 1.00 73.12 C ATOM 1297 O ASP A 90 7.832 20.864 -2.213 1.00 54.34 O ATOM 1298 CB ASP A 90 7.164 18.102 -0.962 1.00 64.25 C ATOM 1299 CG ASP A 90 5.957 19.019 -0.966 1.00 63.04 C ATOM 1300 OD1 ASP A 90 5.340 19.183 -2.040 1.00 35.25 O ATOM 1301 OD2 ASP A 90 5.630 19.572 0.104 1.00 53.41 O ATOM 0 H ASP A 90 9.457 17.135 -1.030 1.00 42.03 H new ATOM 0 HA ASP A 90 7.772 18.370 -3.005 1.00 5.51 H new ATOM 0 HB2 ASP A 90 6.839 17.078 -1.146 1.00 64.25 H new ATOM 0 HB3 ASP A 90 7.625 18.118 0.025 1.00 64.25 H new ATOM 1306 N LEU A 91 9.760 20.201 -1.263 1.00 44.44 N ATOM 1307 CA LEU A 91 10.243 21.559 -1.037 1.00 40.44 C ATOM 1308 C LEU A 91 11.106 22.032 -2.203 1.00 24.51 C ATOM 1309 O LEU A 91 11.202 23.229 -2.471 1.00 44.44 O ATOM 1310 CB LEU A 91 11.043 21.627 0.265 1.00 53.42 C ATOM 1311 CG LEU A 91 10.270 21.307 1.545 1.00 53.13 C ATOM 1312 CD1 LEU A 91 11.153 21.509 2.766 1.00 12.03 C ATOM 1313 CD2 LEU A 91 9.018 22.167 1.641 1.00 1.21 C ATOM 0 H LEU A 91 10.396 19.469 -0.945 1.00 44.44 H new ATOM 0 HA LEU A 91 9.378 22.217 -0.959 1.00 40.44 H new ATOM 0 HB2 LEU A 91 11.882 20.936 0.189 1.00 53.42 H new ATOM 0 HB3 LEU A 91 11.462 22.629 0.358 1.00 53.42 H new ATOM 0 HG LEU A 91 9.966 20.261 1.511 1.00 53.13 H new ATOM 0 HD11 LEU A 91 10.586 21.277 3.667 1.00 12.03 H new ATOM 0 HD12 LEU A 91 12.019 20.850 2.702 1.00 12.03 H new ATOM 0 HD13 LEU A 91 11.488 22.545 2.805 1.00 12.03 H new ATOM 0 HD21 LEU A 91 8.480 21.926 2.558 1.00 1.21 H new ATOM 0 HD22 LEU A 91 9.300 23.220 1.652 1.00 1.21 H new ATOM 0 HD23 LEU A 91 8.376 21.972 0.782 1.00 1.21 H new ATOM 1325 N ILE A 92 11.730 21.083 -2.893 1.00 24.45 N ATOM 1326 CA ILE A 92 12.583 21.402 -4.031 1.00 73.32 C ATOM 1327 C ILE A 92 11.791 21.377 -5.334 1.00 61.33 C ATOM 1328 O ILE A 92 12.111 22.097 -6.279 1.00 72.25 O ATOM 1329 CB ILE A 92 13.764 20.420 -4.142 1.00 43.34 C ATOM 1330 CG1 ILE A 92 14.787 20.932 -5.159 1.00 53.13 C ATOM 1331 CG2 ILE A 92 13.268 19.036 -4.533 1.00 2.02 C ATOM 1332 CD1 ILE A 92 16.213 20.561 -4.821 1.00 5.13 C ATOM 0 H ILE A 92 11.661 20.087 -2.684 1.00 24.45 H new ATOM 0 HA ILE A 92 12.972 22.406 -3.863 1.00 73.32 H new ATOM 0 HB ILE A 92 14.250 20.348 -3.169 1.00 43.34 H new ATOM 0 HG12 ILE A 92 14.540 20.533 -6.143 1.00 53.13 H new ATOM 0 HG13 ILE A 92 14.709 22.017 -5.226 1.00 53.13 H new ATOM 0 HG21 ILE A 92 14.115 18.354 -4.607 1.00 2.02 H new ATOM 0 HG22 ILE A 92 12.573 18.671 -3.776 1.00 2.02 H new ATOM 0 HG23 ILE A 92 12.760 19.090 -5.496 1.00 2.02 H new ATOM 0 HD11 ILE A 92 16.883 20.957 -5.585 1.00 5.13 H new ATOM 0 HD12 ILE A 92 16.479 20.983 -3.852 1.00 5.13 H new ATOM 0 HD13 ILE A 92 16.307 19.476 -4.783 1.00 5.13 H new ATOM 1344 N GLU A 93 10.756 20.544 -5.376 1.00 32.24 N ATOM 1345 CA GLU A 93 9.918 20.426 -6.563 1.00 52.32 C ATOM 1346 C GLU A 93 8.986 21.628 -6.693 1.00 4.11 C ATOM 1347 O GLU A 93 8.286 21.779 -7.694 1.00 22.14 O ATOM 1348 CB GLU A 93 9.098 19.135 -6.510 1.00 41.34 C ATOM 1349 CG GLU A 93 7.937 19.191 -5.532 1.00 1.13 C ATOM 1350 CD GLU A 93 7.227 17.859 -5.393 1.00 33.43 C ATOM 1351 OE1 GLU A 93 7.863 16.817 -5.660 1.00 55.43 O ATOM 1352 OE2 GLU A 93 6.036 17.857 -5.017 1.00 70.20 O ATOM 0 H GLU A 93 10.478 19.941 -4.602 1.00 32.24 H new ATOM 0 HA GLU A 93 10.571 20.398 -7.435 1.00 52.32 H new ATOM 0 HB2 GLU A 93 8.713 18.918 -7.506 1.00 41.34 H new ATOM 0 HB3 GLU A 93 9.754 18.309 -6.235 1.00 41.34 H new ATOM 0 HG2 GLU A 93 8.304 19.506 -4.555 1.00 1.13 H new ATOM 0 HG3 GLU A 93 7.224 19.946 -5.863 1.00 1.13 H new ATOM 1359 N ALA A 94 8.984 22.480 -5.673 1.00 41.21 N ATOM 1360 CA ALA A 94 8.141 23.669 -5.673 1.00 12.11 C ATOM 1361 C ALA A 94 8.467 24.574 -6.856 1.00 61.23 C ATOM 1362 O ALA A 94 7.570 25.030 -7.566 1.00 44.41 O ATOM 1363 CB ALA A 94 8.301 24.430 -4.365 1.00 31.42 C ATOM 0 H ALA A 94 9.557 22.369 -4.836 1.00 41.21 H new ATOM 0 HA ALA A 94 7.104 23.348 -5.770 1.00 12.11 H new ATOM 0 HB1 ALA A 94 7.666 25.316 -4.379 1.00 31.42 H new ATOM 0 HB2 ALA A 94 8.011 23.788 -3.533 1.00 31.42 H new ATOM 0 HB3 ALA A 94 9.341 24.732 -4.245 1.00 31.42 H new ATOM 1369 N ILE A 95 9.755 24.829 -7.062 1.00 54.15 N ATOM 1370 CA ILE A 95 10.198 25.679 -8.160 1.00 40.14 C ATOM 1371 C ILE A 95 10.000 24.988 -9.505 1.00 63.12 C ATOM 1372 O ILE A 95 9.930 25.642 -10.546 1.00 74.51 O ATOM 1373 CB ILE A 95 11.681 26.067 -8.008 1.00 53.35 C ATOM 1374 CG1 ILE A 95 12.574 24.839 -8.195 1.00 73.03 C ATOM 1375 CG2 ILE A 95 11.925 26.704 -6.649 1.00 13.53 C ATOM 1376 CD1 ILE A 95 13.104 24.686 -9.604 1.00 5.45 C ATOM 0 H ILE A 95 10.509 24.459 -6.483 1.00 54.15 H new ATOM 0 HA ILE A 95 9.589 26.582 -8.126 1.00 40.14 H new ATOM 0 HB ILE A 95 11.931 26.796 -8.779 1.00 53.35 H new ATOM 0 HG12 ILE A 95 13.415 24.903 -7.504 1.00 73.03 H new ATOM 0 HG13 ILE A 95 12.010 23.945 -7.929 1.00 73.03 H new ATOM 0 HG21 ILE A 95 12.977 26.973 -6.557 1.00 13.53 H new ATOM 0 HG22 ILE A 95 11.312 27.600 -6.552 1.00 13.53 H new ATOM 0 HG23 ILE A 95 11.661 25.997 -5.863 1.00 13.53 H new ATOM 0 HD11 ILE A 95 13.729 23.795 -9.663 1.00 5.45 H new ATOM 0 HD12 ILE A 95 12.269 24.590 -10.298 1.00 5.45 H new ATOM 0 HD13 ILE A 95 13.696 25.562 -9.867 1.00 5.45 H new ATOM 1388 N ARG A 96 9.910 23.662 -9.475 1.00 41.33 N ATOM 1389 CA ARG A 96 9.720 22.882 -10.692 1.00 34.00 C ATOM 1390 C ARG A 96 8.355 23.167 -11.313 1.00 1.03 C ATOM 1391 O ARG A 96 8.215 23.211 -12.535 1.00 61.40 O ATOM 1392 CB ARG A 96 9.853 21.388 -10.391 1.00 72.01 C ATOM 1393 CG ARG A 96 10.094 20.537 -11.627 1.00 71.11 C ATOM 1394 CD ARG A 96 11.563 20.526 -12.018 1.00 44.32 C ATOM 1395 NE ARG A 96 11.853 19.515 -13.031 1.00 51.24 N ATOM 1396 CZ ARG A 96 12.950 19.518 -13.780 1.00 42.11 C ATOM 1397 NH1 ARG A 96 13.857 20.474 -13.630 1.00 32.22 N ATOM 1398 NH2 ARG A 96 13.143 18.563 -14.681 1.00 55.33 N ATOM 0 H ARG A 96 9.966 23.106 -8.622 1.00 41.33 H new ATOM 0 HA ARG A 96 10.492 23.173 -11.404 1.00 34.00 H new ATOM 0 HB2 ARG A 96 10.675 21.239 -9.691 1.00 72.01 H new ATOM 0 HB3 ARG A 96 8.946 21.044 -9.894 1.00 72.01 H new ATOM 0 HG2 ARG A 96 9.759 19.517 -11.439 1.00 71.11 H new ATOM 0 HG3 ARG A 96 9.499 20.920 -12.456 1.00 71.11 H new ATOM 0 HD2 ARG A 96 11.845 21.509 -12.396 1.00 44.32 H new ATOM 0 HD3 ARG A 96 12.172 20.338 -11.134 1.00 44.32 H new ATOM 0 HE ARG A 96 11.176 18.765 -13.171 1.00 51.24 H new ATOM 0 HH11 ARG A 96 13.713 21.209 -12.938 1.00 32.22 H new ATOM 0 HH12 ARG A 96 14.698 20.474 -14.207 1.00 32.22 H new ATOM 0 HH21 ARG A 96 12.448 17.825 -14.799 1.00 55.33 H new ATOM 0 HH22 ARG A 96 13.986 18.567 -15.255 1.00 55.33 H new ATOM 1412 N ARG A 97 7.352 23.360 -10.462 1.00 24.21 N ATOM 1413 CA ARG A 97 5.999 23.639 -10.927 1.00 20.23 C ATOM 1414 C ARG A 97 5.754 25.142 -11.015 1.00 15.32 C ATOM 1415 O ARG A 97 4.934 25.602 -11.809 1.00 71.23 O ATOM 1416 CB ARG A 97 4.973 22.998 -9.990 1.00 61.35 C ATOM 1417 CG ARG A 97 4.617 21.568 -10.365 1.00 13.33 C ATOM 1418 CD ARG A 97 5.767 20.615 -10.080 1.00 74.23 C ATOM 1419 NE ARG A 97 6.610 20.409 -11.255 1.00 21.13 N ATOM 1420 CZ ARG A 97 6.215 19.746 -12.336 1.00 23.32 C ATOM 1421 NH1 ARG A 97 4.996 19.227 -12.391 1.00 43.44 N ATOM 1422 NH2 ARG A 97 7.041 19.600 -13.365 1.00 13.34 N ATOM 0 H ARG A 97 7.451 23.328 -9.447 1.00 24.21 H new ATOM 0 HA ARG A 97 5.888 23.211 -11.923 1.00 20.23 H new ATOM 0 HB2 ARG A 97 5.364 23.011 -8.973 1.00 61.35 H new ATOM 0 HB3 ARG A 97 4.065 23.602 -9.991 1.00 61.35 H new ATOM 0 HG2 ARG A 97 3.735 21.253 -9.807 1.00 13.33 H new ATOM 0 HG3 ARG A 97 4.358 21.522 -11.423 1.00 13.33 H new ATOM 0 HD2 ARG A 97 6.372 21.011 -9.264 1.00 74.23 H new ATOM 0 HD3 ARG A 97 5.370 19.657 -9.746 1.00 74.23 H new ATOM 0 HE ARG A 97 7.554 20.796 -11.245 1.00 21.13 H new ATOM 0 HH11 ARG A 97 4.359 19.336 -11.602 1.00 43.44 H new ATOM 0 HH12 ARG A 97 4.695 18.718 -13.222 1.00 43.44 H new ATOM 0 HH21 ARG A 97 7.980 19.997 -13.326 1.00 13.34 H new ATOM 0 HH22 ARG A 97 6.737 19.091 -14.195 1.00 13.34 H new ATOM 1436 N ALA A 98 6.469 25.903 -10.193 1.00 22.44 N ATOM 1437 CA ALA A 98 6.330 27.354 -10.179 1.00 23.53 C ATOM 1438 C ALA A 98 7.034 27.984 -11.375 1.00 62.05 C ATOM 1439 O ALA A 98 6.587 29.001 -11.906 1.00 21.13 O ATOM 1440 CB ALA A 98 6.880 27.924 -8.880 1.00 24.12 C ATOM 0 H ALA A 98 7.151 25.538 -9.528 1.00 22.44 H new ATOM 0 HA ALA A 98 5.269 27.594 -10.248 1.00 23.53 H new ATOM 0 HB1 ALA A 98 6.770 29.008 -8.883 1.00 24.12 H new ATOM 0 HB2 ALA A 98 6.330 27.506 -8.037 1.00 24.12 H new ATOM 0 HB3 ALA A 98 7.935 27.667 -8.788 1.00 24.12 H new ATOM 1446 N SER A 99 8.138 27.374 -11.796 1.00 10.13 N ATOM 1447 CA SER A 99 8.906 27.879 -12.928 1.00 24.24 C ATOM 1448 C SER A 99 8.231 27.518 -14.247 1.00 55.40 C ATOM 1449 O SER A 99 8.570 28.059 -15.299 1.00 22.33 O ATOM 1450 CB SER A 99 10.328 27.314 -12.899 1.00 31.14 C ATOM 1451 OG SER A 99 10.323 25.911 -13.096 1.00 61.44 O ATOM 0 H SER A 99 8.520 26.530 -11.370 1.00 10.13 H new ATOM 0 HA SER A 99 8.952 28.965 -12.849 1.00 24.24 H new ATOM 0 HB2 SER A 99 10.928 27.791 -13.674 1.00 31.14 H new ATOM 0 HB3 SER A 99 10.797 27.549 -11.943 1.00 31.14 H new ATOM 0 HG SER A 99 10.295 25.459 -12.227 1.00 61.44 H new ATOM 1457 N ASN A 100 7.271 26.601 -14.182 1.00 21.11 N ATOM 1458 CA ASN A 100 6.547 26.167 -15.371 1.00 31.30 C ATOM 1459 C ASN A 100 5.657 27.285 -15.904 1.00 53.13 C ATOM 1460 O ASN A 100 5.273 27.283 -17.073 1.00 55.10 O ATOM 1461 CB ASN A 100 5.700 24.932 -15.055 1.00 51.22 C ATOM 1462 CG ASN A 100 5.533 24.022 -16.257 1.00 45.51 C ATOM 1463 OD1 ASN A 100 4.452 23.935 -16.838 1.00 73.12 O ATOM 1464 ND2 ASN A 100 6.608 23.340 -16.635 1.00 72.52 N ATOM 0 H ASN A 100 6.977 26.144 -13.319 1.00 21.11 H new ATOM 0 HA ASN A 100 7.278 25.912 -16.138 1.00 31.30 H new ATOM 0 HB2 ASN A 100 6.165 24.374 -14.242 1.00 51.22 H new ATOM 0 HB3 ASN A 100 4.718 25.249 -14.703 1.00 51.22 H new ATOM 0 HD21 ASN A 100 6.558 22.712 -17.438 1.00 72.52 H new ATOM 0 HD22 ASN A 100 7.484 23.444 -16.123 1.00 72.52 H new