USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 543 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 26 GLN : amide:sc= 0.19 X(o=-9.9,f=-9.8) USER MOD Set 1.2: A 67 ASN : amide:sc= -0.563 K(o=-9.9,f=-8.6) USER MOD Set 1.3: A 85 GLN : amide:sc= -9.53! C(o=-9.9!,f=-8.6!) USER MOD Single : A 16 CYS SG : rot 180:sc= -8.47! USER MOD Single : A 19 TYR OH : rot 180:sc= -1.06 USER MOD Single : A 21 SER OG : rot -18:sc= 1.77 USER MOD Single : A 22 SER OG : rot 85:sc= 0.184 USER MOD Single : A 23 LYS NZ :NH3+ -157:sc= -0.557 (180deg=-2.3!) USER MOD Single : A 27 THR OG1 : rot -14:sc= -1.9! USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 158:sc= -6.7! (180deg=-7.27!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -1.22 K(o=-1.2,f=-0.32) USER MOD Single : A 52 GLN : amide:sc= -1.78 X(o=-1.8,f=-1.9) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -11.1! C(o=-11!,f=-7.4!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -6.35! C(o=-6.4!,f=-8.3!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 214 N PHE A 15 0.956 -28.606 -4.352 1.00 53.20 N ATOM 215 CA PHE A 15 -0.514 -28.725 -4.571 1.00 1.53 C ATOM 216 C PHE A 15 -1.192 -27.376 -4.302 1.00 13.03 C ATOM 217 O PHE A 15 -0.800 -26.647 -3.411 1.00 41.33 O ATOM 218 CB PHE A 15 -0.965 -29.774 -3.550 1.00 4.41 C ATOM 219 CG PHE A 15 -2.437 -29.619 -3.242 1.00 44.45 C ATOM 220 CD1 PHE A 15 -2.882 -28.569 -2.431 1.00 41.22 C ATOM 221 CD2 PHE A 15 -3.357 -30.532 -3.769 1.00 62.11 C ATOM 222 CE1 PHE A 15 -4.246 -28.432 -2.147 1.00 33.33 C ATOM 223 CE2 PHE A 15 -4.720 -30.396 -3.487 1.00 25.11 C ATOM 224 CZ PHE A 15 -5.165 -29.346 -2.675 1.00 24.53 C ATOM 0 HA PHE A 15 -0.771 -29.008 -5.592 1.00 1.53 H new ATOM 0 HB2 PHE A 15 -0.773 -30.774 -3.939 1.00 4.41 H new ATOM 0 HB3 PHE A 15 -0.384 -29.671 -2.634 1.00 4.41 H new ATOM 0 HD1 PHE A 15 -2.173 -27.864 -2.024 1.00 41.22 H new ATOM 0 HD2 PHE A 15 -3.014 -31.343 -4.394 1.00 62.11 H new ATOM 0 HE1 PHE A 15 -4.589 -27.622 -1.521 1.00 33.33 H new ATOM 0 HE2 PHE A 15 -5.429 -31.101 -3.896 1.00 25.11 H new ATOM 0 HZ PHE A 15 -6.217 -29.241 -2.456 1.00 24.53 H new ATOM 234 N CYS A 16 -2.212 -27.043 -5.046 1.00 53.02 N ATOM 235 CA CYS A 16 -2.909 -25.746 -4.799 1.00 3.10 C ATOM 236 C CYS A 16 -4.414 -25.893 -5.058 1.00 20.35 C ATOM 237 O CYS A 16 -4.842 -26.727 -5.830 1.00 62.20 O ATOM 238 CB CYS A 16 -2.254 -24.737 -5.760 1.00 31.03 C ATOM 239 SG CYS A 16 -3.064 -24.760 -7.382 1.00 34.43 S ATOM 0 H CYS A 16 -2.591 -27.606 -5.807 1.00 53.02 H new ATOM 0 HA CYS A 16 -2.813 -25.413 -3.766 1.00 3.10 H new ATOM 0 HB2 CYS A 16 -2.312 -23.735 -5.335 1.00 31.03 H new ATOM 0 HB3 CYS A 16 -1.196 -24.973 -5.875 1.00 31.03 H new ATOM 0 HG CYS A 16 -2.489 -23.897 -8.166 1.00 34.43 H new ATOM 245 N VAL A 17 -5.216 -25.092 -4.410 1.00 72.54 N ATOM 246 CA VAL A 17 -6.693 -25.192 -4.608 1.00 43.11 C ATOM 247 C VAL A 17 -7.207 -23.981 -5.388 1.00 41.20 C ATOM 248 O VAL A 17 -6.889 -22.849 -5.076 1.00 4.23 O ATOM 249 CB VAL A 17 -7.290 -25.208 -3.196 1.00 73.31 C ATOM 250 CG1 VAL A 17 -8.669 -25.863 -3.228 1.00 2.14 C ATOM 251 CG2 VAL A 17 -6.381 -25.998 -2.252 1.00 11.33 C ATOM 0 H VAL A 17 -4.914 -24.373 -3.753 1.00 72.54 H new ATOM 0 HA VAL A 17 -6.969 -26.080 -5.177 1.00 43.11 H new ATOM 0 HB VAL A 17 -7.378 -24.182 -2.839 1.00 73.31 H new ATOM 0 HG11 VAL A 17 -9.091 -25.873 -2.223 1.00 2.14 H new ATOM 0 HG12 VAL A 17 -9.325 -25.298 -3.891 1.00 2.14 H new ATOM 0 HG13 VAL A 17 -8.578 -26.886 -3.593 1.00 2.14 H new ATOM 0 HG21 VAL A 17 -6.813 -26.004 -1.251 1.00 11.33 H new ATOM 0 HG22 VAL A 17 -6.285 -27.022 -2.612 1.00 11.33 H new ATOM 0 HG23 VAL A 17 -5.397 -25.531 -2.219 1.00 11.33 H new ATOM 261 N ILE A 18 -8.003 -24.204 -6.399 1.00 41.10 N ATOM 262 CA ILE A 18 -8.537 -23.058 -7.191 1.00 52.24 C ATOM 263 C ILE A 18 -9.999 -22.792 -6.824 1.00 2.30 C ATOM 264 O ILE A 18 -10.875 -23.589 -7.101 1.00 65.12 O ATOM 265 CB ILE A 18 -8.420 -23.494 -8.651 1.00 70.20 C ATOM 266 CG1 ILE A 18 -6.943 -23.538 -9.050 1.00 42.34 C ATOM 267 CG2 ILE A 18 -9.161 -22.495 -9.543 1.00 50.32 C ATOM 268 CD1 ILE A 18 -6.436 -24.979 -8.972 1.00 72.34 C ATOM 0 H ILE A 18 -8.306 -25.127 -6.710 1.00 41.10 H new ATOM 0 HA ILE A 18 -7.991 -22.135 -6.997 1.00 52.24 H new ATOM 0 HB ILE A 18 -8.860 -24.484 -8.773 1.00 70.20 H new ATOM 0 HG12 ILE A 18 -6.817 -23.151 -10.061 1.00 42.34 H new ATOM 0 HG13 ILE A 18 -6.358 -22.899 -8.389 1.00 42.34 H new ATOM 0 HG21 ILE A 18 -9.078 -22.806 -10.584 1.00 50.32 H new ATOM 0 HG22 ILE A 18 -10.212 -22.462 -9.257 1.00 50.32 H new ATOM 0 HG23 ILE A 18 -8.721 -21.505 -9.424 1.00 50.32 H new ATOM 0 HD11 ILE A 18 -5.384 -25.011 -9.256 1.00 72.34 H new ATOM 0 HD12 ILE A 18 -6.548 -25.349 -7.953 1.00 72.34 H new ATOM 0 HD13 ILE A 18 -7.014 -25.605 -9.651 1.00 72.34 H new ATOM 280 N TYR A 19 -10.270 -21.677 -6.204 1.00 3.13 N ATOM 281 CA TYR A 19 -11.674 -21.356 -5.817 1.00 3.24 C ATOM 282 C TYR A 19 -12.333 -20.487 -6.892 1.00 20.15 C ATOM 283 O TYR A 19 -11.665 -19.821 -7.659 1.00 50.02 O ATOM 284 CB TYR A 19 -11.556 -20.575 -4.510 1.00 42.52 C ATOM 285 CG TYR A 19 -11.403 -21.538 -3.357 1.00 75.33 C ATOM 286 CD1 TYR A 19 -10.127 -21.959 -2.961 1.00 53.35 C ATOM 287 CD2 TYR A 19 -12.535 -22.006 -2.680 1.00 41.41 C ATOM 288 CE1 TYR A 19 -9.984 -22.851 -1.891 1.00 25.32 C ATOM 289 CE2 TYR A 19 -12.392 -22.898 -1.609 1.00 71.34 C ATOM 290 CZ TYR A 19 -11.116 -23.321 -1.215 1.00 11.53 C ATOM 291 OH TYR A 19 -10.974 -24.197 -0.158 1.00 21.32 O ATOM 0 H TYR A 19 -9.579 -20.972 -5.948 1.00 3.13 H new ATOM 0 HA TYR A 19 -12.285 -22.252 -5.707 1.00 3.24 H new ATOM 0 HB2 TYR A 19 -10.699 -19.903 -4.552 1.00 42.52 H new ATOM 0 HB3 TYR A 19 -12.440 -19.955 -4.364 1.00 42.52 H new ATOM 0 HD1 TYR A 19 -9.253 -21.595 -3.481 1.00 53.35 H new ATOM 0 HD2 TYR A 19 -13.519 -21.680 -2.983 1.00 41.41 H new ATOM 0 HE1 TYR A 19 -9.000 -23.176 -1.587 1.00 25.32 H new ATOM 0 HE2 TYR A 19 -13.266 -23.260 -1.087 1.00 71.34 H new ATOM 0 HH TYR A 19 -11.858 -24.424 0.200 1.00 21.32 H new ATOM 301 N ARG A 20 -13.637 -20.480 -6.947 1.00 45.23 N ATOM 302 CA ARG A 20 -14.328 -19.641 -7.966 1.00 73.43 C ATOM 303 C ARG A 20 -15.310 -18.688 -7.279 1.00 44.52 C ATOM 304 O ARG A 20 -15.980 -19.043 -6.328 1.00 2.32 O ATOM 305 CB ARG A 20 -15.061 -20.633 -8.877 1.00 23.43 C ATOM 306 CG ARG A 20 -16.287 -21.198 -8.157 1.00 51.42 C ATOM 307 CD ARG A 20 -17.558 -20.628 -8.788 1.00 24.41 C ATOM 308 NE ARG A 20 -18.600 -21.670 -8.567 1.00 20.32 N ATOM 309 CZ ARG A 20 -19.622 -21.753 -9.375 1.00 64.40 C ATOM 310 NH1 ARG A 20 -20.064 -20.686 -9.983 1.00 1.21 N ATOM 311 NH2 ARG A 20 -20.201 -22.906 -9.575 1.00 44.10 N ATOM 0 H ARG A 20 -14.251 -21.016 -6.334 1.00 45.23 H new ATOM 0 HA ARG A 20 -13.636 -19.020 -8.535 1.00 73.43 H new ATOM 0 HB2 ARG A 20 -15.367 -20.136 -9.798 1.00 23.43 H new ATOM 0 HB3 ARG A 20 -14.390 -21.444 -9.160 1.00 23.43 H new ATOM 0 HG2 ARG A 20 -16.292 -22.286 -8.224 1.00 51.42 H new ATOM 0 HG3 ARG A 20 -16.249 -20.944 -7.098 1.00 51.42 H new ATOM 0 HD2 ARG A 20 -17.840 -19.683 -8.323 1.00 24.41 H new ATOM 0 HD3 ARG A 20 -17.417 -20.431 -9.851 1.00 24.41 H new ATOM 0 HE ARG A 20 -18.515 -22.318 -7.784 1.00 20.32 H new ATOM 0 HH11 ARG A 20 -19.611 -19.786 -9.827 1.00 1.21 H new ATOM 0 HH12 ARG A 20 -20.863 -20.753 -10.614 1.00 1.21 H new ATOM 0 HH21 ARG A 20 -19.855 -23.740 -9.100 1.00 44.10 H new ATOM 0 HH22 ARG A 20 -21.000 -22.973 -10.206 1.00 44.10 H new ATOM 325 N SER A 21 -15.394 -17.476 -7.745 1.00 23.23 N ATOM 326 CA SER A 21 -16.325 -16.499 -7.111 1.00 61.24 C ATOM 327 C SER A 21 -17.777 -16.914 -7.355 1.00 40.32 C ATOM 328 O SER A 21 -18.134 -17.362 -8.425 1.00 22.04 O ATOM 329 CB SER A 21 -16.025 -15.167 -7.792 1.00 31.42 C ATOM 330 OG SER A 21 -14.828 -14.620 -7.252 1.00 22.51 O ATOM 0 H SER A 21 -14.860 -17.117 -8.537 1.00 23.23 H new ATOM 0 HA SER A 21 -16.191 -16.443 -6.031 1.00 61.24 H new ATOM 0 HB2 SER A 21 -15.919 -15.311 -8.867 1.00 31.42 H new ATOM 0 HB3 SER A 21 -16.854 -14.475 -7.643 1.00 31.42 H new ATOM 0 HG SER A 21 -14.631 -15.048 -6.393 1.00 22.51 H new ATOM 336 N SER A 22 -18.615 -16.772 -6.365 1.00 65.41 N ATOM 337 CA SER A 22 -20.045 -17.160 -6.531 1.00 53.35 C ATOM 338 C SER A 22 -20.656 -16.443 -7.737 1.00 5.13 C ATOM 339 O SER A 22 -21.419 -17.018 -8.489 1.00 61.20 O ATOM 340 CB SER A 22 -20.729 -16.716 -5.240 1.00 73.41 C ATOM 341 OG SER A 22 -20.422 -17.640 -4.203 1.00 75.30 O ATOM 0 H SER A 22 -18.371 -16.403 -5.446 1.00 65.41 H new ATOM 0 HA SER A 22 -20.162 -18.229 -6.708 1.00 53.35 H new ATOM 0 HB2 SER A 22 -20.394 -15.716 -4.963 1.00 73.41 H new ATOM 0 HB3 SER A 22 -21.808 -16.662 -5.387 1.00 73.41 H new ATOM 0 HG SER A 22 -19.561 -17.404 -3.798 1.00 75.30 H new ATOM 347 N LYS A 23 -20.331 -15.194 -7.929 1.00 0.12 N ATOM 348 CA LYS A 23 -20.900 -14.451 -9.089 1.00 24.32 C ATOM 349 C LYS A 23 -19.871 -13.464 -9.651 1.00 63.23 C ATOM 350 O LYS A 23 -19.744 -12.349 -9.185 1.00 4.04 O ATOM 351 CB LYS A 23 -22.109 -13.701 -8.522 1.00 41.11 C ATOM 352 CG LYS A 23 -21.656 -12.791 -7.378 1.00 73.41 C ATOM 353 CD LYS A 23 -22.445 -13.131 -6.111 1.00 45.31 C ATOM 354 CE LYS A 23 -21.857 -12.365 -4.921 1.00 5.11 C ATOM 355 NZ LYS A 23 -20.391 -12.609 -4.988 1.00 54.24 N ATOM 0 H LYS A 23 -19.699 -14.657 -7.335 1.00 0.12 H new ATOM 0 HA LYS A 23 -21.176 -15.116 -9.907 1.00 24.32 H new ATOM 0 HB2 LYS A 23 -22.583 -13.109 -9.305 1.00 41.11 H new ATOM 0 HB3 LYS A 23 -22.855 -14.410 -8.163 1.00 41.11 H new ATOM 0 HG2 LYS A 23 -20.588 -12.918 -7.199 1.00 73.41 H new ATOM 0 HG3 LYS A 23 -21.812 -11.746 -7.647 1.00 73.41 H new ATOM 0 HD2 LYS A 23 -23.495 -12.869 -6.243 1.00 45.31 H new ATOM 0 HD3 LYS A 23 -22.405 -14.204 -5.922 1.00 45.31 H new ATOM 0 HE2 LYS A 23 -22.083 -11.301 -4.987 1.00 5.11 H new ATOM 0 HE3 LYS A 23 -22.273 -12.721 -3.979 1.00 5.11 H new ATOM 0 HZ1 LYS A 23 -19.972 -12.469 -4.046 1.00 54.24 H new ATOM 0 HZ2 LYS A 23 -20.215 -13.584 -5.304 1.00 54.24 H new ATOM 0 HZ3 LYS A 23 -19.959 -11.944 -5.661 1.00 54.24 H new ATOM 369 N ARG A 24 -19.138 -13.867 -10.654 1.00 15.23 N ATOM 370 CA ARG A 24 -18.118 -12.956 -11.254 1.00 14.14 C ATOM 371 C ARG A 24 -17.759 -13.431 -12.665 1.00 70.42 C ATOM 372 O ARG A 24 -18.186 -14.480 -13.105 1.00 61.04 O ATOM 373 CB ARG A 24 -16.903 -13.058 -10.331 1.00 73.44 C ATOM 374 CG ARG A 24 -16.970 -11.958 -9.269 1.00 53.31 C ATOM 375 CD ARG A 24 -15.551 -11.587 -8.828 1.00 3.20 C ATOM 376 NE ARG A 24 -15.050 -10.666 -9.883 1.00 2.21 N ATOM 377 CZ ARG A 24 -15.211 -9.378 -9.754 1.00 1.43 C ATOM 378 NH1 ARG A 24 -16.294 -8.807 -10.199 1.00 35.32 N ATOM 379 NH2 ARG A 24 -14.285 -8.660 -9.177 1.00 1.21 N ATOM 0 H ARG A 24 -19.201 -14.789 -11.085 1.00 15.23 H new ATOM 0 HA ARG A 24 -18.477 -11.931 -11.341 1.00 14.14 H new ATOM 0 HB2 ARG A 24 -16.878 -14.037 -9.853 1.00 73.44 H new ATOM 0 HB3 ARG A 24 -15.985 -12.962 -10.910 1.00 73.44 H new ATOM 0 HG2 ARG A 24 -17.479 -11.081 -9.670 1.00 53.31 H new ATOM 0 HG3 ARG A 24 -17.551 -12.300 -8.412 1.00 53.31 H new ATOM 0 HD2 ARG A 24 -15.555 -11.104 -7.851 1.00 3.20 H new ATOM 0 HD3 ARG A 24 -14.920 -12.472 -8.744 1.00 3.20 H new ATOM 0 HE ARG A 24 -14.581 -11.041 -10.707 1.00 2.21 H new ATOM 0 HH11 ARG A 24 -17.018 -9.367 -10.649 1.00 35.32 H new ATOM 0 HH12 ARG A 24 -16.418 -7.800 -10.097 1.00 35.32 H new ATOM 0 HH21 ARG A 24 -13.437 -9.107 -8.828 1.00 1.21 H new ATOM 0 HH22 ARG A 24 -14.410 -7.653 -9.076 1.00 1.21 H new ATOM 393 N ASP A 25 -16.972 -12.671 -13.380 1.00 74.52 N ATOM 394 CA ASP A 25 -16.585 -13.091 -14.758 1.00 24.41 C ATOM 395 C ASP A 25 -15.724 -14.352 -14.693 1.00 43.32 C ATOM 396 O ASP A 25 -16.127 -15.417 -15.116 1.00 62.14 O ATOM 397 CB ASP A 25 -15.776 -11.922 -15.322 1.00 65.40 C ATOM 398 CG ASP A 25 -15.193 -12.313 -16.682 1.00 3.15 C ATOM 399 OD1 ASP A 25 -15.897 -12.170 -17.670 1.00 53.04 O ATOM 400 OD2 ASP A 25 -14.053 -12.745 -16.714 1.00 61.53 O ATOM 0 H ASP A 25 -16.582 -11.781 -13.070 1.00 74.52 H new ATOM 0 HA ASP A 25 -17.451 -13.321 -15.379 1.00 24.41 H new ATOM 0 HB2 ASP A 25 -16.412 -11.043 -15.426 1.00 65.40 H new ATOM 0 HB3 ASP A 25 -14.974 -11.655 -14.634 1.00 65.40 H new ATOM 405 N GLN A 26 -14.541 -14.236 -14.158 1.00 3.35 N ATOM 406 CA GLN A 26 -13.646 -15.420 -14.052 1.00 61.52 C ATOM 407 C GLN A 26 -12.675 -15.231 -12.884 1.00 62.01 C ATOM 408 O GLN A 26 -11.489 -15.475 -12.999 1.00 62.50 O ATOM 409 CB GLN A 26 -12.894 -15.469 -15.382 1.00 1.14 C ATOM 410 CG GLN A 26 -13.741 -16.209 -16.423 1.00 74.22 C ATOM 411 CD GLN A 26 -14.127 -17.587 -15.882 1.00 53.53 C ATOM 412 OE1 GLN A 26 -13.287 -18.456 -15.745 1.00 30.00 O ATOM 413 NE2 GLN A 26 -15.369 -17.827 -15.566 1.00 2.03 N ATOM 0 H GLN A 26 -14.154 -13.368 -13.788 1.00 3.35 H new ATOM 0 HA GLN A 26 -14.193 -16.344 -13.866 1.00 61.52 H new ATOM 0 HB2 GLN A 26 -12.677 -14.458 -15.727 1.00 1.14 H new ATOM 0 HB3 GLN A 26 -11.937 -15.973 -15.252 1.00 1.14 H new ATOM 0 HG2 GLN A 26 -14.637 -15.633 -16.654 1.00 74.22 H new ATOM 0 HG3 GLN A 26 -13.182 -16.315 -17.353 1.00 74.22 H new ATOM 0 HE21 GLN A 26 -16.074 -17.099 -15.680 1.00 2.03 H new ATOM 0 HE22 GLN A 26 -15.635 -18.743 -15.204 1.00 2.03 H new ATOM 422 N THR A 27 -13.174 -14.789 -11.761 1.00 53.22 N ATOM 423 CA THR A 27 -12.291 -14.572 -10.579 1.00 64.23 C ATOM 424 C THR A 27 -12.054 -15.890 -9.837 1.00 41.10 C ATOM 425 O THR A 27 -12.979 -16.612 -9.522 1.00 45.30 O ATOM 426 CB THR A 27 -13.065 -13.597 -9.690 1.00 44.23 C ATOM 427 OG1 THR A 27 -13.273 -12.382 -10.393 1.00 25.22 O ATOM 428 CG2 THR A 27 -12.262 -13.324 -8.415 1.00 15.14 C ATOM 0 H THR A 27 -14.158 -14.568 -11.611 1.00 53.22 H new ATOM 0 HA THR A 27 -11.311 -14.189 -10.863 1.00 64.23 H new ATOM 0 HB THR A 27 -14.029 -14.030 -9.424 1.00 44.23 H new ATOM 0 HG1 THR A 27 -12.692 -12.357 -11.182 1.00 25.22 H new ATOM 0 HG21 THR A 27 -12.812 -12.629 -7.780 1.00 15.14 H new ATOM 0 HG22 THR A 27 -12.104 -14.259 -7.878 1.00 15.14 H new ATOM 0 HG23 THR A 27 -11.298 -12.889 -8.678 1.00 15.14 H new ATOM 436 N TYR A 28 -10.821 -16.204 -9.549 1.00 50.42 N ATOM 437 CA TYR A 28 -10.532 -17.475 -8.820 1.00 34.31 C ATOM 438 C TYR A 28 -9.441 -17.253 -7.772 1.00 34.14 C ATOM 439 O TYR A 28 -8.506 -16.505 -7.981 1.00 73.34 O ATOM 440 CB TYR A 28 -10.047 -18.448 -9.893 1.00 14.42 C ATOM 441 CG TYR A 28 -11.231 -18.997 -10.646 1.00 4.31 C ATOM 442 CD1 TYR A 28 -11.829 -18.236 -11.654 1.00 24.04 C ATOM 443 CD2 TYR A 28 -11.732 -20.268 -10.336 1.00 13.34 C ATOM 444 CE1 TYR A 28 -12.928 -18.743 -12.355 1.00 53.24 C ATOM 445 CE2 TYR A 28 -12.831 -20.775 -11.038 1.00 40.54 C ATOM 446 CZ TYR A 28 -13.431 -20.013 -12.047 1.00 12.14 C ATOM 447 OH TYR A 28 -14.515 -20.512 -12.738 1.00 20.05 O ATOM 0 H TYR A 28 -10.004 -15.640 -9.784 1.00 50.42 H new ATOM 0 HA TYR A 28 -11.408 -17.851 -8.292 1.00 34.31 H new ATOM 0 HB2 TYR A 28 -9.369 -17.941 -10.580 1.00 14.42 H new ATOM 0 HB3 TYR A 28 -9.485 -19.262 -9.434 1.00 14.42 H new ATOM 0 HD1 TYR A 28 -11.442 -17.256 -11.892 1.00 24.04 H new ATOM 0 HD2 TYR A 28 -11.271 -20.856 -9.556 1.00 13.34 H new ATOM 0 HE1 TYR A 28 -13.389 -18.155 -13.134 1.00 53.24 H new ATOM 0 HE2 TYR A 28 -13.217 -21.756 -10.801 1.00 40.54 H new ATOM 0 HH TYR A 28 -14.735 -21.405 -12.401 1.00 20.05 H new ATOM 457 N LEU A 29 -9.548 -17.907 -6.651 1.00 62.13 N ATOM 458 CA LEU A 29 -8.515 -17.746 -5.592 1.00 3.03 C ATOM 459 C LEU A 29 -7.630 -18.991 -5.547 1.00 61.53 C ATOM 460 O LEU A 29 -8.061 -20.081 -5.865 1.00 22.04 O ATOM 461 CB LEU A 29 -9.297 -17.595 -4.286 1.00 61.04 C ATOM 462 CG LEU A 29 -9.153 -16.162 -3.767 1.00 30.21 C ATOM 463 CD1 LEU A 29 -9.830 -16.045 -2.401 1.00 51.32 C ATOM 464 CD2 LEU A 29 -7.669 -15.814 -3.628 1.00 35.40 C ATOM 0 H LEU A 29 -10.308 -18.548 -6.422 1.00 62.13 H new ATOM 0 HA LEU A 29 -7.864 -16.890 -5.770 1.00 3.03 H new ATOM 0 HB2 LEU A 29 -10.349 -17.830 -4.450 1.00 61.04 H new ATOM 0 HB3 LEU A 29 -8.925 -18.301 -3.543 1.00 61.04 H new ATOM 0 HG LEU A 29 -9.624 -15.474 -4.469 1.00 30.21 H new ATOM 0 HD11 LEU A 29 -9.728 -15.025 -2.031 1.00 51.32 H new ATOM 0 HD12 LEU A 29 -10.887 -16.292 -2.497 1.00 51.32 H new ATOM 0 HD13 LEU A 29 -9.358 -16.734 -1.701 1.00 51.32 H new ATOM 0 HD21 LEU A 29 -7.568 -14.794 -3.258 1.00 35.40 H new ATOM 0 HD22 LEU A 29 -7.198 -16.502 -2.926 1.00 35.40 H new ATOM 0 HD23 LEU A 29 -7.183 -15.898 -4.600 1.00 35.40 H new ATOM 476 N TYR A 30 -6.398 -18.845 -5.159 1.00 70.22 N ATOM 477 CA TYR A 30 -5.495 -20.028 -5.102 1.00 42.04 C ATOM 478 C TYR A 30 -4.845 -20.124 -3.720 1.00 61.40 C ATOM 479 O TYR A 30 -4.468 -19.131 -3.129 1.00 20.42 O ATOM 480 CB TYR A 30 -4.443 -19.776 -6.182 1.00 74.35 C ATOM 481 CG TYR A 30 -5.075 -19.916 -7.545 1.00 65.11 C ATOM 482 CD1 TYR A 30 -5.970 -18.941 -8.003 1.00 2.44 C ATOM 483 CD2 TYR A 30 -4.769 -21.017 -8.354 1.00 12.13 C ATOM 484 CE1 TYR A 30 -6.559 -19.068 -9.267 1.00 71.42 C ATOM 485 CE2 TYR A 30 -5.355 -21.143 -9.620 1.00 22.15 C ATOM 486 CZ TYR A 30 -6.250 -20.167 -10.075 1.00 2.00 C ATOM 487 OH TYR A 30 -6.828 -20.290 -11.321 1.00 3.41 O ATOM 0 H TYR A 30 -5.975 -17.960 -4.879 1.00 70.22 H new ATOM 0 HA TYR A 30 -6.025 -20.966 -5.268 1.00 42.04 H new ATOM 0 HB2 TYR A 30 -4.020 -18.778 -6.067 1.00 74.35 H new ATOM 0 HB3 TYR A 30 -3.621 -20.484 -6.076 1.00 74.35 H new ATOM 0 HD1 TYR A 30 -6.206 -18.090 -7.381 1.00 2.44 H new ATOM 0 HD2 TYR A 30 -4.080 -21.770 -8.001 1.00 12.13 H new ATOM 0 HE1 TYR A 30 -7.252 -18.317 -9.618 1.00 71.42 H new ATOM 0 HE2 TYR A 30 -5.117 -21.992 -10.244 1.00 22.15 H new ATOM 0 HH TYR A 30 -6.505 -21.109 -11.752 1.00 3.41 H new ATOM 497 N VAL A 31 -4.714 -21.311 -3.202 1.00 0.44 N ATOM 498 CA VAL A 31 -4.091 -21.473 -1.857 1.00 53.41 C ATOM 499 C VAL A 31 -3.337 -22.799 -1.776 1.00 74.05 C ATOM 500 O VAL A 31 -3.696 -23.768 -2.416 1.00 3.43 O ATOM 501 CB VAL A 31 -5.248 -21.468 -0.846 1.00 50.14 C ATOM 502 CG1 VAL A 31 -5.484 -20.044 -0.351 1.00 3.34 C ATOM 503 CG2 VAL A 31 -6.532 -22.004 -1.494 1.00 42.11 C ATOM 0 H VAL A 31 -5.011 -22.178 -3.650 1.00 0.44 H new ATOM 0 HA VAL A 31 -3.376 -20.675 -1.655 1.00 53.41 H new ATOM 0 HB VAL A 31 -4.984 -22.112 -0.007 1.00 50.14 H new ATOM 0 HG11 VAL A 31 -6.305 -20.039 0.366 1.00 3.34 H new ATOM 0 HG12 VAL A 31 -4.580 -19.671 0.130 1.00 3.34 H new ATOM 0 HG13 VAL A 31 -5.737 -19.402 -1.195 1.00 3.34 H new ATOM 0 HG21 VAL A 31 -7.340 -21.993 -0.763 1.00 42.11 H new ATOM 0 HG22 VAL A 31 -6.801 -21.375 -2.342 1.00 42.11 H new ATOM 0 HG23 VAL A 31 -6.367 -23.025 -1.837 1.00 42.11 H new ATOM 513 N GLU A 32 -2.306 -22.855 -0.982 1.00 14.14 N ATOM 514 CA GLU A 32 -1.545 -24.128 -0.847 1.00 1.21 C ATOM 515 C GLU A 32 -2.466 -25.198 -0.255 1.00 23.03 C ATOM 516 O GLU A 32 -2.165 -26.376 -0.273 1.00 63.21 O ATOM 517 CB GLU A 32 -0.400 -23.810 0.113 1.00 2.22 C ATOM 518 CG GLU A 32 -0.975 -23.333 1.449 1.00 71.22 C ATOM 519 CD GLU A 32 0.016 -23.643 2.572 1.00 2.12 C ATOM 520 OE1 GLU A 32 1.053 -23.003 2.614 1.00 32.12 O ATOM 521 OE2 GLU A 32 -0.281 -24.516 3.372 1.00 33.53 O ATOM 0 H GLU A 32 -1.957 -22.077 -0.422 1.00 14.14 H new ATOM 0 HA GLU A 32 -1.171 -24.503 -1.800 1.00 1.21 H new ATOM 0 HB2 GLU A 32 0.218 -24.695 0.266 1.00 2.22 H new ATOM 0 HB3 GLU A 32 0.244 -23.041 -0.314 1.00 2.22 H new ATOM 0 HG2 GLU A 32 -1.173 -22.262 1.410 1.00 71.22 H new ATOM 0 HG3 GLU A 32 -1.927 -23.826 1.644 1.00 71.22 H new ATOM 528 N LYS A 33 -3.590 -24.786 0.266 1.00 63.52 N ATOM 529 CA LYS A 33 -4.549 -25.758 0.862 1.00 54.34 C ATOM 530 C LYS A 33 -5.954 -25.152 0.875 1.00 33.44 C ATOM 531 O LYS A 33 -6.129 -23.963 0.700 1.00 21.22 O ATOM 532 CB LYS A 33 -4.049 -25.981 2.290 1.00 34.12 C ATOM 533 CG LYS A 33 -4.373 -24.751 3.144 1.00 63.54 C ATOM 534 CD LYS A 33 -3.145 -24.362 3.970 1.00 24.41 C ATOM 535 CE LYS A 33 -3.506 -24.375 5.457 1.00 0.20 C ATOM 536 NZ LYS A 33 -3.332 -25.793 5.883 1.00 23.35 N ATOM 0 H LYS A 33 -3.886 -23.811 0.304 1.00 63.52 H new ATOM 0 HA LYS A 33 -4.603 -26.691 0.301 1.00 54.34 H new ATOM 0 HB2 LYS A 33 -4.519 -26.867 2.717 1.00 34.12 H new ATOM 0 HB3 LYS A 33 -2.974 -26.161 2.286 1.00 34.12 H new ATOM 0 HG2 LYS A 33 -4.672 -23.920 2.505 1.00 63.54 H new ATOM 0 HG3 LYS A 33 -5.214 -24.965 3.803 1.00 63.54 H new ATOM 0 HD2 LYS A 33 -2.328 -25.058 3.777 1.00 24.41 H new ATOM 0 HD3 LYS A 33 -2.796 -23.372 3.678 1.00 24.41 H new ATOM 0 HE2 LYS A 33 -2.858 -23.709 6.027 1.00 0.20 H new ATOM 0 HE3 LYS A 33 -4.530 -24.037 5.618 1.00 0.20 H new ATOM 0 HZ1 LYS A 33 -3.561 -25.883 6.893 1.00 23.35 H new ATOM 0 HZ2 LYS A 33 -3.967 -26.402 5.328 1.00 23.35 H new ATOM 0 HZ3 LYS A 33 -2.346 -26.085 5.725 1.00 23.35 H new ATOM 550 N LYS A 34 -6.954 -25.958 1.085 1.00 31.44 N ATOM 551 CA LYS A 34 -8.346 -25.423 1.117 1.00 60.33 C ATOM 552 C LYS A 34 -8.749 -25.104 2.558 1.00 54.43 C ATOM 553 O LYS A 34 -9.710 -25.632 3.079 1.00 51.44 O ATOM 554 CB LYS A 34 -9.221 -26.542 0.535 1.00 21.43 C ATOM 555 CG LYS A 34 -9.136 -27.796 1.414 1.00 22.33 C ATOM 556 CD LYS A 34 -10.000 -28.903 0.805 1.00 14.12 C ATOM 557 CE LYS A 34 -9.096 -30.005 0.251 1.00 42.31 C ATOM 558 NZ LYS A 34 -8.860 -30.926 1.399 1.00 32.11 N ATOM 0 H LYS A 34 -6.871 -26.963 1.236 1.00 31.44 H new ATOM 0 HA LYS A 34 -8.451 -24.499 0.548 1.00 60.33 H new ATOM 0 HB2 LYS A 34 -10.256 -26.206 0.468 1.00 21.43 H new ATOM 0 HB3 LYS A 34 -8.896 -26.777 -0.478 1.00 21.43 H new ATOM 0 HG2 LYS A 34 -8.101 -28.129 1.493 1.00 22.33 H new ATOM 0 HG3 LYS A 34 -9.475 -27.569 2.425 1.00 22.33 H new ATOM 0 HD2 LYS A 34 -10.671 -29.313 1.560 1.00 14.12 H new ATOM 0 HD3 LYS A 34 -10.625 -28.496 0.010 1.00 14.12 H new ATOM 0 HE2 LYS A 34 -9.572 -30.525 -0.580 1.00 42.31 H new ATOM 0 HE3 LYS A 34 -8.159 -29.595 -0.125 1.00 42.31 H new ATOM 0 HZ1 LYS A 34 -8.247 -31.709 1.095 1.00 32.11 H new ATOM 0 HZ2 LYS A 34 -8.400 -30.405 2.173 1.00 32.11 H new ATOM 0 HZ3 LYS A 34 -9.769 -31.307 1.731 1.00 32.11 H new ATOM 572 N ASP A 35 -8.012 -24.248 3.215 1.00 73.21 N ATOM 573 CA ASP A 35 -8.349 -23.913 4.628 1.00 41.34 C ATOM 574 C ASP A 35 -9.122 -22.593 4.718 1.00 73.51 C ATOM 575 O ASP A 35 -10.303 -22.577 5.000 1.00 51.41 O ATOM 576 CB ASP A 35 -6.995 -23.789 5.332 1.00 11.32 C ATOM 577 CG ASP A 35 -7.211 -23.507 6.819 1.00 40.21 C ATOM 578 OD1 ASP A 35 -8.176 -24.020 7.363 1.00 70.45 O ATOM 579 OD2 ASP A 35 -6.410 -22.786 7.388 1.00 14.23 O ATOM 0 H ASP A 35 -7.195 -23.769 2.836 1.00 73.21 H new ATOM 0 HA ASP A 35 -8.989 -24.670 5.081 1.00 41.34 H new ATOM 0 HB2 ASP A 35 -6.423 -24.708 5.206 1.00 11.32 H new ATOM 0 HB3 ASP A 35 -6.412 -22.986 4.881 1.00 11.32 H new ATOM 584 N ASP A 36 -8.468 -21.488 4.494 1.00 62.11 N ATOM 585 CA ASP A 36 -9.174 -20.177 4.584 1.00 63.25 C ATOM 586 C ASP A 36 -8.329 -19.058 3.969 1.00 5.33 C ATOM 587 O ASP A 36 -7.183 -19.249 3.608 1.00 4.21 O ATOM 588 CB ASP A 36 -9.372 -19.930 6.079 1.00 45.10 C ATOM 589 CG ASP A 36 -10.697 -20.550 6.528 1.00 31.11 C ATOM 590 OD1 ASP A 36 -11.583 -20.670 5.698 1.00 23.53 O ATOM 591 OD2 ASP A 36 -10.802 -20.896 7.693 1.00 71.41 O ATOM 0 H ASP A 36 -7.478 -21.434 4.253 1.00 62.11 H new ATOM 0 HA ASP A 36 -10.118 -20.191 4.040 1.00 63.25 H new ATOM 0 HB2 ASP A 36 -8.546 -20.364 6.643 1.00 45.10 H new ATOM 0 HB3 ASP A 36 -9.371 -18.860 6.285 1.00 45.10 H new ATOM 596 N PHE A 37 -8.893 -17.890 3.858 1.00 3.54 N ATOM 597 CA PHE A 37 -8.145 -16.735 3.279 1.00 2.42 C ATOM 598 C PHE A 37 -8.099 -15.597 4.300 1.00 61.25 C ATOM 599 O PHE A 37 -9.066 -14.889 4.500 1.00 41.54 O ATOM 600 CB PHE A 37 -8.956 -16.313 2.054 1.00 41.00 C ATOM 601 CG PHE A 37 -8.688 -17.257 0.911 1.00 13.31 C ATOM 602 CD1 PHE A 37 -9.405 -18.456 0.809 1.00 75.21 C ATOM 603 CD2 PHE A 37 -7.720 -16.937 -0.050 1.00 52.43 C ATOM 604 CE1 PHE A 37 -9.159 -19.330 -0.256 1.00 53.33 C ATOM 605 CE2 PHE A 37 -7.473 -17.813 -1.114 1.00 24.21 C ATOM 606 CZ PHE A 37 -8.192 -19.010 -1.216 1.00 0.14 C ATOM 0 H PHE A 37 -9.849 -17.681 4.146 1.00 3.54 H new ATOM 0 HA PHE A 37 -7.117 -16.988 3.018 1.00 2.42 H new ATOM 0 HB2 PHE A 37 -10.019 -16.311 2.294 1.00 41.00 H new ATOM 0 HB3 PHE A 37 -8.693 -15.295 1.766 1.00 41.00 H new ATOM 0 HD1 PHE A 37 -10.148 -18.706 1.552 1.00 75.21 H new ATOM 0 HD2 PHE A 37 -7.164 -16.014 0.030 1.00 52.43 H new ATOM 0 HE1 PHE A 37 -9.716 -20.252 -0.337 1.00 53.33 H new ATOM 0 HE2 PHE A 37 -6.728 -17.565 -1.856 1.00 24.21 H new ATOM 0 HZ PHE A 37 -8.000 -19.687 -2.036 1.00 0.14 H new ATOM 616 N SER A 38 -6.985 -15.421 4.955 1.00 35.32 N ATOM 617 CA SER A 38 -6.887 -14.333 5.970 1.00 53.13 C ATOM 618 C SER A 38 -5.956 -13.222 5.480 1.00 71.35 C ATOM 619 O SER A 38 -5.861 -12.171 6.083 1.00 52.05 O ATOM 620 CB SER A 38 -6.310 -15.010 7.213 1.00 5.32 C ATOM 621 OG SER A 38 -5.465 -14.095 7.896 1.00 1.41 O ATOM 0 H SER A 38 -6.141 -15.981 4.833 1.00 35.32 H new ATOM 0 HA SER A 38 -7.852 -13.865 6.167 1.00 53.13 H new ATOM 0 HB2 SER A 38 -7.116 -15.338 7.870 1.00 5.32 H new ATOM 0 HB3 SER A 38 -5.748 -15.900 6.929 1.00 5.32 H new ATOM 0 HG SER A 38 -5.094 -14.526 8.695 1.00 1.41 H new ATOM 627 N ARG A 39 -5.271 -13.441 4.393 1.00 24.12 N ATOM 628 CA ARG A 39 -4.354 -12.385 3.873 1.00 35.12 C ATOM 629 C ARG A 39 -5.102 -11.489 2.887 1.00 44.53 C ATOM 630 O ARG A 39 -4.741 -10.348 2.673 1.00 12.33 O ATOM 631 CB ARG A 39 -3.231 -13.136 3.165 1.00 13.31 C ATOM 632 CG ARG A 39 -2.177 -12.139 2.684 1.00 31.44 C ATOM 633 CD ARG A 39 -2.692 -11.407 1.443 1.00 33.15 C ATOM 634 NE ARG A 39 -1.601 -11.537 0.437 1.00 50.52 N ATOM 635 CZ ARG A 39 -1.836 -11.283 -0.820 1.00 24.31 C ATOM 636 NH1 ARG A 39 -2.567 -12.100 -1.525 1.00 54.34 N ATOM 637 NH2 ARG A 39 -1.344 -10.206 -1.371 1.00 61.33 N ATOM 0 H ARG A 39 -5.305 -14.300 3.844 1.00 24.12 H new ATOM 0 HA ARG A 39 -3.970 -11.745 4.667 1.00 35.12 H new ATOM 0 HB2 ARG A 39 -2.779 -13.860 3.843 1.00 13.31 H new ATOM 0 HB3 ARG A 39 -3.630 -13.696 2.319 1.00 13.31 H new ATOM 0 HG2 ARG A 39 -1.952 -11.423 3.474 1.00 31.44 H new ATOM 0 HG3 ARG A 39 -1.248 -12.660 2.452 1.00 31.44 H new ATOM 0 HD2 ARG A 39 -3.619 -11.851 1.079 1.00 33.15 H new ATOM 0 HD3 ARG A 39 -2.904 -10.360 1.662 1.00 33.15 H new ATOM 0 HE ARG A 39 -0.668 -11.825 0.732 1.00 50.52 H new ATOM 0 HH11 ARG A 39 -2.956 -12.939 -1.093 1.00 54.34 H new ATOM 0 HH12 ARG A 39 -2.751 -11.901 -2.508 1.00 54.34 H new ATOM 0 HH21 ARG A 39 -0.776 -9.564 -0.818 1.00 61.33 H new ATOM 0 HH22 ARG A 39 -1.528 -10.007 -2.354 1.00 61.33 H new ATOM 651 N VAL A 40 -6.140 -11.997 2.289 1.00 43.22 N ATOM 652 CA VAL A 40 -6.911 -11.175 1.320 1.00 32.41 C ATOM 653 C VAL A 40 -7.576 -9.999 2.048 1.00 71.11 C ATOM 654 O VAL A 40 -8.190 -10.176 3.081 1.00 65.21 O ATOM 655 CB VAL A 40 -7.963 -12.123 0.749 1.00 5.43 C ATOM 656 CG1 VAL A 40 -8.907 -12.573 1.862 1.00 5.31 C ATOM 657 CG2 VAL A 40 -8.761 -11.398 -0.337 1.00 10.23 C ATOM 0 H VAL A 40 -6.488 -12.946 2.429 1.00 43.22 H new ATOM 0 HA VAL A 40 -6.283 -10.751 0.537 1.00 32.41 H new ATOM 0 HB VAL A 40 -7.471 -12.996 0.320 1.00 5.43 H new ATOM 0 HG11 VAL A 40 -9.657 -13.249 1.452 1.00 5.31 H new ATOM 0 HG12 VAL A 40 -8.338 -13.088 2.636 1.00 5.31 H new ATOM 0 HG13 VAL A 40 -9.401 -11.703 2.294 1.00 5.31 H new ATOM 0 HG21 VAL A 40 -9.513 -12.072 -0.747 1.00 10.23 H new ATOM 0 HG22 VAL A 40 -9.252 -10.525 0.094 1.00 10.23 H new ATOM 0 HG23 VAL A 40 -8.087 -11.080 -1.132 1.00 10.23 H new ATOM 667 N PRO A 41 -7.419 -8.835 1.481 1.00 34.04 N ATOM 668 CA PRO A 41 -8.006 -7.605 2.077 1.00 75.02 C ATOM 669 C PRO A 41 -9.532 -7.616 1.958 1.00 13.22 C ATOM 670 O PRO A 41 -10.083 -8.020 0.953 1.00 14.32 O ATOM 671 CB PRO A 41 -7.403 -6.482 1.235 1.00 24.13 C ATOM 672 CG PRO A 41 -7.056 -7.126 -0.070 1.00 61.13 C ATOM 673 CD PRO A 41 -6.693 -8.553 0.241 1.00 3.13 C ATOM 0 HA PRO A 41 -7.792 -7.503 3.141 1.00 75.02 H new ATOM 0 HB2 PRO A 41 -8.113 -5.666 1.097 1.00 24.13 H new ATOM 0 HB3 PRO A 41 -6.520 -6.059 1.714 1.00 24.13 H new ATOM 0 HG2 PRO A 41 -7.898 -7.082 -0.761 1.00 61.13 H new ATOM 0 HG3 PRO A 41 -6.224 -6.609 -0.548 1.00 61.13 H new ATOM 0 HD2 PRO A 41 -6.994 -9.227 -0.561 1.00 3.13 H new ATOM 0 HD3 PRO A 41 -5.617 -8.673 0.371 1.00 3.13 H new ATOM 681 N GLU A 42 -10.220 -7.171 2.976 1.00 34.41 N ATOM 682 CA GLU A 42 -11.709 -7.151 2.916 1.00 44.51 C ATOM 683 C GLU A 42 -12.172 -6.247 1.773 1.00 62.14 C ATOM 684 O GLU A 42 -13.314 -6.288 1.358 1.00 3.11 O ATOM 685 CB GLU A 42 -12.152 -6.585 4.266 1.00 34.24 C ATOM 686 CG GLU A 42 -13.372 -7.357 4.771 1.00 4.34 C ATOM 687 CD GLU A 42 -13.918 -6.680 6.030 1.00 32.13 C ATOM 688 OE1 GLU A 42 -14.010 -5.463 6.032 1.00 41.53 O ATOM 689 OE2 GLU A 42 -14.233 -7.391 6.971 1.00 74.43 O ATOM 0 H GLU A 42 -9.815 -6.821 3.845 1.00 34.41 H new ATOM 0 HA GLU A 42 -12.133 -8.139 2.733 1.00 44.51 H new ATOM 0 HB2 GLU A 42 -11.338 -6.659 4.987 1.00 34.24 H new ATOM 0 HB3 GLU A 42 -12.394 -5.527 4.166 1.00 34.24 H new ATOM 0 HG2 GLU A 42 -14.141 -7.388 3.999 1.00 4.34 H new ATOM 0 HG3 GLU A 42 -13.098 -8.389 4.990 1.00 4.34 H new ATOM 696 N GLU A 43 -11.293 -5.433 1.260 1.00 15.51 N ATOM 697 CA GLU A 43 -11.677 -4.529 0.141 1.00 20.21 C ATOM 698 C GLU A 43 -11.776 -5.326 -1.162 1.00 51.32 C ATOM 699 O GLU A 43 -12.686 -5.142 -1.946 1.00 52.43 O ATOM 700 CB GLU A 43 -10.551 -3.497 0.060 1.00 63.04 C ATOM 701 CG GLU A 43 -10.437 -2.766 1.402 1.00 41.25 C ATOM 702 CD GLU A 43 -9.185 -1.886 1.399 1.00 22.41 C ATOM 703 OE1 GLU A 43 -8.845 -1.375 0.344 1.00 74.32 O ATOM 704 OE2 GLU A 43 -8.589 -1.734 2.453 1.00 10.51 O ATOM 0 H GLU A 43 -10.324 -5.355 1.568 1.00 15.51 H new ATOM 0 HA GLU A 43 -12.646 -4.056 0.300 1.00 20.21 H new ATOM 0 HB2 GLU A 43 -9.608 -3.988 -0.181 1.00 63.04 H new ATOM 0 HB3 GLU A 43 -10.752 -2.784 -0.740 1.00 63.04 H new ATOM 0 HG2 GLU A 43 -11.324 -2.155 1.572 1.00 41.25 H new ATOM 0 HG3 GLU A 43 -10.386 -3.487 2.218 1.00 41.25 H new ATOM 711 N LEU A 44 -10.852 -6.219 -1.392 1.00 21.35 N ATOM 712 CA LEU A 44 -10.898 -7.038 -2.633 1.00 3.34 C ATOM 713 C LEU A 44 -11.865 -8.207 -2.438 1.00 71.12 C ATOM 714 O LEU A 44 -12.706 -8.477 -3.272 1.00 5.20 O ATOM 715 CB LEU A 44 -9.468 -7.546 -2.830 1.00 44.40 C ATOM 716 CG LEU A 44 -9.183 -7.714 -4.323 1.00 65.13 C ATOM 717 CD1 LEU A 44 -7.744 -7.287 -4.617 1.00 43.11 C ATOM 718 CD2 LEU A 44 -9.369 -9.179 -4.713 1.00 32.41 C ATOM 0 H LEU A 44 -10.067 -6.416 -0.772 1.00 21.35 H new ATOM 0 HA LEU A 44 -11.244 -6.472 -3.498 1.00 3.34 H new ATOM 0 HB2 LEU A 44 -8.759 -6.844 -2.391 1.00 44.40 H new ATOM 0 HB3 LEU A 44 -9.335 -8.498 -2.315 1.00 44.40 H new ATOM 0 HG LEU A 44 -9.871 -7.094 -4.898 1.00 65.13 H new ATOM 0 HD11 LEU A 44 -7.539 -7.406 -5.681 1.00 43.11 H new ATOM 0 HD12 LEU A 44 -7.610 -6.242 -4.336 1.00 43.11 H new ATOM 0 HD13 LEU A 44 -7.056 -7.908 -4.043 1.00 43.11 H new ATOM 0 HD21 LEU A 44 -9.166 -9.301 -5.777 1.00 32.41 H new ATOM 0 HD22 LEU A 44 -8.680 -9.799 -4.139 1.00 32.41 H new ATOM 0 HD23 LEU A 44 -10.394 -9.485 -4.502 1.00 32.41 H new ATOM 730 N MET A 45 -11.758 -8.892 -1.331 1.00 71.14 N ATOM 731 CA MET A 45 -12.680 -10.034 -1.075 1.00 32.13 C ATOM 732 C MET A 45 -14.126 -9.555 -1.187 1.00 64.13 C ATOM 733 O MET A 45 -15.027 -10.322 -1.466 1.00 42.43 O ATOM 734 CB MET A 45 -12.367 -10.483 0.354 1.00 64.21 C ATOM 735 CG MET A 45 -13.054 -11.821 0.632 1.00 62.51 C ATOM 736 SD MET A 45 -12.088 -12.755 1.845 1.00 72.21 S ATOM 737 CE MET A 45 -11.392 -13.968 0.699 1.00 52.34 C ATOM 0 H MET A 45 -11.074 -8.710 -0.596 1.00 71.14 H new ATOM 0 HA MET A 45 -12.552 -10.848 -1.788 1.00 32.13 H new ATOM 0 HB2 MET A 45 -11.290 -10.581 0.488 1.00 64.21 H new ATOM 0 HB3 MET A 45 -12.710 -9.732 1.066 1.00 64.21 H new ATOM 0 HG2 MET A 45 -14.063 -11.653 1.007 1.00 62.51 H new ATOM 0 HG3 MET A 45 -13.148 -12.392 -0.291 1.00 62.51 H new ATOM 0 HE1 MET A 45 -10.485 -14.395 1.127 1.00 52.34 H new ATOM 0 HE2 MET A 45 -12.118 -14.761 0.524 1.00 52.34 H new ATOM 0 HE3 MET A 45 -11.152 -13.480 -0.246 1.00 52.34 H new ATOM 747 N LYS A 46 -14.355 -8.286 -0.979 1.00 24.24 N ATOM 748 CA LYS A 46 -15.739 -7.748 -1.082 1.00 44.11 C ATOM 749 C LYS A 46 -16.390 -8.242 -2.377 1.00 51.02 C ATOM 750 O LYS A 46 -17.575 -8.500 -2.429 1.00 62.53 O ATOM 751 CB LYS A 46 -15.573 -6.227 -1.107 1.00 52.24 C ATOM 752 CG LYS A 46 -16.575 -5.585 -0.144 1.00 14.22 C ATOM 753 CD LYS A 46 -16.602 -4.073 -0.366 1.00 43.31 C ATOM 754 CE LYS A 46 -17.978 -3.660 -0.889 1.00 20.13 C ATOM 755 NZ LYS A 46 -17.841 -3.653 -2.372 1.00 74.50 N ATOM 0 H LYS A 46 -13.640 -7.598 -0.742 1.00 24.24 H new ATOM 0 HA LYS A 46 -16.376 -8.070 -0.258 1.00 44.11 H new ATOM 0 HB2 LYS A 46 -14.556 -5.957 -0.822 1.00 52.24 H new ATOM 0 HB3 LYS A 46 -15.732 -5.850 -2.117 1.00 52.24 H new ATOM 0 HG2 LYS A 46 -17.568 -6.004 -0.304 1.00 14.22 H new ATOM 0 HG3 LYS A 46 -16.298 -5.807 0.887 1.00 14.22 H new ATOM 0 HD2 LYS A 46 -16.385 -3.554 0.567 1.00 43.31 H new ATOM 0 HD3 LYS A 46 -15.829 -3.785 -1.078 1.00 43.31 H new ATOM 0 HE2 LYS A 46 -18.749 -4.360 -0.567 1.00 20.13 H new ATOM 0 HE3 LYS A 46 -18.264 -2.677 -0.514 1.00 20.13 H new ATOM 0 HZ1 LYS A 46 -18.747 -3.378 -2.803 1.00 74.50 H new ATOM 0 HZ2 LYS A 46 -17.105 -2.972 -2.649 1.00 74.50 H new ATOM 0 HZ3 LYS A 46 -17.575 -4.603 -2.701 1.00 74.50 H new ATOM 769 N GLY A 47 -15.618 -8.382 -3.418 1.00 31.34 N ATOM 770 CA GLY A 47 -16.185 -8.870 -4.707 1.00 64.05 C ATOM 771 C GLY A 47 -16.313 -10.392 -4.648 1.00 30.30 C ATOM 772 O GLY A 47 -17.288 -10.962 -5.096 1.00 61.01 O ATOM 0 H GLY A 47 -14.618 -8.180 -3.433 1.00 31.34 H new ATOM 0 HA2 GLY A 47 -17.160 -8.417 -4.885 1.00 64.05 H new ATOM 0 HA3 GLY A 47 -15.541 -8.578 -5.537 1.00 64.05 H new ATOM 776 N PHE A 48 -15.335 -11.051 -4.092 1.00 74.11 N ATOM 777 CA PHE A 48 -15.395 -12.538 -3.993 1.00 32.13 C ATOM 778 C PHE A 48 -16.458 -12.951 -2.973 1.00 1.24 C ATOM 779 O PHE A 48 -17.210 -13.882 -3.187 1.00 1.03 O ATOM 780 CB PHE A 48 -14.002 -12.952 -3.517 1.00 11.15 C ATOM 781 CG PHE A 48 -13.589 -14.231 -4.207 1.00 43.21 C ATOM 782 CD1 PHE A 48 -14.476 -15.311 -4.272 1.00 43.12 C ATOM 783 CD2 PHE A 48 -12.316 -14.334 -4.781 1.00 54.15 C ATOM 784 CE1 PHE A 48 -14.092 -16.495 -4.911 1.00 31.44 C ATOM 785 CE2 PHE A 48 -11.933 -15.520 -5.422 1.00 62.30 C ATOM 786 CZ PHE A 48 -12.820 -16.600 -5.487 1.00 62.41 C ATOM 0 H PHE A 48 -14.495 -10.624 -3.701 1.00 74.11 H new ATOM 0 HA PHE A 48 -15.661 -13.011 -4.938 1.00 32.13 H new ATOM 0 HB2 PHE A 48 -13.283 -12.162 -3.734 1.00 11.15 H new ATOM 0 HB3 PHE A 48 -14.003 -13.094 -2.436 1.00 11.15 H new ATOM 0 HD1 PHE A 48 -15.458 -15.231 -3.829 1.00 43.12 H new ATOM 0 HD2 PHE A 48 -11.631 -13.501 -4.730 1.00 54.15 H new ATOM 0 HE1 PHE A 48 -14.777 -17.328 -4.960 1.00 31.44 H new ATOM 0 HE2 PHE A 48 -10.952 -15.600 -5.866 1.00 62.30 H new ATOM 0 HZ PHE A 48 -12.524 -17.514 -5.981 1.00 62.41 H new ATOM 796 N GLY A 49 -16.523 -12.269 -1.862 1.00 54.41 N ATOM 797 CA GLY A 49 -17.534 -12.622 -0.827 1.00 65.13 C ATOM 798 C GLY A 49 -17.274 -14.040 -0.325 1.00 32.41 C ATOM 799 O GLY A 49 -16.406 -14.268 0.497 1.00 12.44 O ATOM 0 H GLY A 49 -15.919 -11.482 -1.627 1.00 54.41 H new ATOM 0 HA2 GLY A 49 -17.483 -11.916 0.002 1.00 65.13 H new ATOM 0 HA3 GLY A 49 -18.538 -12.551 -1.245 1.00 65.13 H new ATOM 803 N GLN A 50 -18.013 -14.997 -0.812 1.00 32.20 N ATOM 804 CA GLN A 50 -17.804 -16.401 -0.361 1.00 24.11 C ATOM 805 C GLN A 50 -17.194 -17.230 -1.494 1.00 31.33 C ATOM 806 O GLN A 50 -17.828 -17.460 -2.505 1.00 74.14 O ATOM 807 CB GLN A 50 -19.200 -16.919 -0.012 1.00 13.33 C ATOM 808 CG GLN A 50 -19.342 -17.032 1.505 1.00 31.41 C ATOM 809 CD GLN A 50 -19.546 -15.641 2.106 1.00 2.53 C ATOM 810 OE1 GLN A 50 -20.644 -15.286 2.488 1.00 1.24 O ATOM 811 NE2 GLN A 50 -18.528 -14.829 2.205 1.00 42.13 N ATOM 0 H GLN A 50 -18.752 -14.868 -1.503 1.00 32.20 H new ATOM 0 HA GLN A 50 -17.123 -16.466 0.487 1.00 24.11 H new ATOM 0 HB2 GLN A 50 -19.959 -16.244 -0.409 1.00 13.33 H new ATOM 0 HB3 GLN A 50 -19.364 -17.892 -0.476 1.00 13.33 H new ATOM 0 HG2 GLN A 50 -20.186 -17.674 1.754 1.00 31.41 H new ATOM 0 HG3 GLN A 50 -18.452 -17.496 1.930 1.00 31.41 H new ATOM 0 HE21 GLN A 50 -17.606 -15.126 1.885 1.00 42.13 H new ATOM 0 HE22 GLN A 50 -18.655 -13.898 2.602 1.00 42.13 H new ATOM 820 N PRO A 51 -15.976 -17.652 -1.287 1.00 75.00 N ATOM 821 CA PRO A 51 -15.267 -18.466 -2.307 1.00 60.22 C ATOM 822 C PRO A 51 -15.861 -19.877 -2.371 1.00 11.32 C ATOM 823 O PRO A 51 -16.487 -20.342 -1.440 1.00 72.45 O ATOM 824 CB PRO A 51 -13.827 -18.498 -1.800 1.00 42.45 C ATOM 825 CG PRO A 51 -13.928 -18.268 -0.327 1.00 64.41 C ATOM 826 CD PRO A 51 -15.149 -17.416 -0.095 1.00 43.35 C ATOM 0 HA PRO A 51 -15.347 -18.060 -3.315 1.00 60.22 H new ATOM 0 HB2 PRO A 51 -13.353 -19.455 -2.018 1.00 42.45 H new ATOM 0 HB3 PRO A 51 -13.223 -17.727 -2.279 1.00 42.45 H new ATOM 0 HG2 PRO A 51 -14.012 -19.215 0.206 1.00 64.41 H new ATOM 0 HG3 PRO A 51 -13.034 -17.770 0.047 1.00 64.41 H new ATOM 0 HD2 PRO A 51 -15.671 -17.706 0.817 1.00 43.35 H new ATOM 0 HD3 PRO A 51 -14.888 -16.363 0.008 1.00 43.35 H new ATOM 834 N GLN A 52 -15.667 -20.561 -3.466 1.00 31.14 N ATOM 835 CA GLN A 52 -16.219 -21.941 -3.592 1.00 60.21 C ATOM 836 C GLN A 52 -15.151 -22.883 -4.152 1.00 2.23 C ATOM 837 O GLN A 52 -14.244 -22.467 -4.844 1.00 74.21 O ATOM 838 CB GLN A 52 -17.391 -21.815 -4.566 1.00 15.03 C ATOM 839 CG GLN A 52 -18.311 -20.678 -4.113 1.00 2.20 C ATOM 840 CD GLN A 52 -18.909 -21.019 -2.747 1.00 24.23 C ATOM 841 OE1 GLN A 52 -19.302 -22.143 -2.506 1.00 13.41 O ATOM 842 NE2 GLN A 52 -18.998 -20.089 -1.836 1.00 33.43 N ATOM 0 H GLN A 52 -15.150 -20.224 -4.279 1.00 31.14 H new ATOM 0 HA GLN A 52 -16.534 -22.351 -2.632 1.00 60.21 H new ATOM 0 HB2 GLN A 52 -17.022 -21.619 -5.573 1.00 15.03 H new ATOM 0 HB3 GLN A 52 -17.946 -22.752 -4.607 1.00 15.03 H new ATOM 0 HG2 GLN A 52 -17.751 -19.745 -4.054 1.00 2.20 H new ATOM 0 HG3 GLN A 52 -19.107 -20.527 -4.843 1.00 2.20 H new ATOM 0 HE21 GLN A 52 -18.668 -19.145 -2.037 1.00 33.43 H new ATOM 0 HE22 GLN A 52 -19.397 -20.306 -0.923 1.00 33.43 H new ATOM 851 N LEU A 53 -15.249 -24.149 -3.856 1.00 35.33 N ATOM 852 CA LEU A 53 -14.237 -25.114 -4.367 1.00 11.24 C ATOM 853 C LEU A 53 -14.626 -25.612 -5.761 1.00 44.22 C ATOM 854 O LEU A 53 -15.386 -26.550 -5.907 1.00 74.13 O ATOM 855 CB LEU A 53 -14.246 -26.269 -3.364 1.00 42.10 C ATOM 856 CG LEU A 53 -12.910 -27.008 -3.432 1.00 62.20 C ATOM 857 CD1 LEU A 53 -12.756 -27.655 -4.809 1.00 45.10 C ATOM 858 CD2 LEU A 53 -11.769 -26.014 -3.205 1.00 42.35 C ATOM 0 H LEU A 53 -15.987 -24.557 -3.282 1.00 35.33 H new ATOM 0 HA LEU A 53 -13.250 -24.660 -4.460 1.00 11.24 H new ATOM 0 HB2 LEU A 53 -14.414 -25.889 -2.356 1.00 42.10 H new ATOM 0 HB3 LEU A 53 -15.065 -26.953 -3.587 1.00 42.10 H new ATOM 0 HG LEU A 53 -12.880 -27.780 -2.663 1.00 62.20 H new ATOM 0 HD11 LEU A 53 -11.803 -28.182 -4.859 1.00 45.10 H new ATOM 0 HD12 LEU A 53 -13.570 -28.361 -4.973 1.00 45.10 H new ATOM 0 HD13 LEU A 53 -12.784 -26.884 -5.579 1.00 45.10 H new ATOM 0 HD21 LEU A 53 -10.815 -26.538 -3.253 1.00 42.35 H new ATOM 0 HD22 LEU A 53 -11.799 -25.244 -3.976 1.00 42.35 H new ATOM 0 HD23 LEU A 53 -11.880 -25.551 -2.225 1.00 42.35 H new ATOM 870 N ALA A 54 -14.109 -24.994 -6.786 1.00 54.25 N ATOM 871 CA ALA A 54 -14.444 -25.437 -8.170 1.00 43.35 C ATOM 872 C ALA A 54 -13.574 -26.632 -8.565 1.00 42.20 C ATOM 873 O ALA A 54 -14.070 -27.674 -8.944 1.00 63.54 O ATOM 874 CB ALA A 54 -14.137 -24.232 -9.058 1.00 71.12 C ATOM 0 H ALA A 54 -13.469 -24.202 -6.726 1.00 54.25 H new ATOM 0 HA ALA A 54 -15.482 -25.755 -8.263 1.00 43.35 H new ATOM 0 HB1 ALA A 54 -14.358 -24.479 -10.096 1.00 71.12 H new ATOM 0 HB2 ALA A 54 -14.750 -23.386 -8.748 1.00 71.12 H new ATOM 0 HB3 ALA A 54 -13.083 -23.970 -8.964 1.00 71.12 H new ATOM 880 N MET A 55 -12.280 -26.492 -8.478 1.00 71.50 N ATOM 881 CA MET A 55 -11.382 -27.624 -8.847 1.00 63.01 C ATOM 882 C MET A 55 -10.101 -27.581 -8.009 1.00 53.11 C ATOM 883 O MET A 55 -9.530 -26.533 -7.775 1.00 4.21 O ATOM 884 CB MET A 55 -11.062 -27.411 -10.327 1.00 33.54 C ATOM 885 CG MET A 55 -10.571 -25.979 -10.544 1.00 33.33 C ATOM 886 SD MET A 55 -10.279 -25.703 -12.309 1.00 44.24 S ATOM 887 CE MET A 55 -11.885 -24.959 -12.687 1.00 53.11 C ATOM 0 H MET A 55 -11.805 -25.644 -8.168 1.00 71.50 H new ATOM 0 HA MET A 55 -11.846 -28.593 -8.666 1.00 63.01 H new ATOM 0 HB2 MET A 55 -10.300 -28.120 -10.651 1.00 33.54 H new ATOM 0 HB3 MET A 55 -11.949 -27.598 -10.932 1.00 33.54 H new ATOM 0 HG2 MET A 55 -11.310 -25.269 -10.171 1.00 33.33 H new ATOM 0 HG3 MET A 55 -9.653 -25.809 -9.981 1.00 33.33 H new ATOM 0 HE1 MET A 55 -11.928 -24.704 -13.746 1.00 53.11 H new ATOM 0 HE2 MET A 55 -12.679 -25.668 -12.452 1.00 53.11 H new ATOM 0 HE3 MET A 55 -12.017 -24.056 -12.091 1.00 53.11 H new ATOM 897 N ILE A 56 -9.643 -28.716 -7.556 1.00 4.54 N ATOM 898 CA ILE A 56 -8.401 -28.748 -6.735 1.00 20.41 C ATOM 899 C ILE A 56 -7.219 -29.192 -7.599 1.00 41.25 C ATOM 900 O ILE A 56 -7.314 -30.129 -8.363 1.00 43.51 O ATOM 901 CB ILE A 56 -8.680 -29.772 -5.636 1.00 42.45 C ATOM 902 CG1 ILE A 56 -9.942 -29.365 -4.872 1.00 11.12 C ATOM 903 CG2 ILE A 56 -7.494 -29.825 -4.671 1.00 73.33 C ATOM 904 CD1 ILE A 56 -10.721 -30.618 -4.469 1.00 22.00 C ATOM 0 H ILE A 56 -10.077 -29.624 -7.720 1.00 4.54 H new ATOM 0 HA ILE A 56 -8.147 -27.772 -6.322 1.00 20.41 H new ATOM 0 HB ILE A 56 -8.825 -30.755 -6.084 1.00 42.45 H new ATOM 0 HG12 ILE A 56 -9.674 -28.790 -3.986 1.00 11.12 H new ATOM 0 HG13 ILE A 56 -10.564 -28.721 -5.493 1.00 11.12 H new ATOM 0 HG21 ILE A 56 -7.695 -30.556 -3.888 1.00 73.33 H new ATOM 0 HG22 ILE A 56 -6.595 -30.114 -5.215 1.00 73.33 H new ATOM 0 HG23 ILE A 56 -7.346 -28.843 -4.222 1.00 73.33 H new ATOM 0 HD11 ILE A 56 -11.620 -30.328 -3.925 1.00 22.00 H new ATOM 0 HD12 ILE A 56 -11.002 -31.175 -5.363 1.00 22.00 H new ATOM 0 HD13 ILE A 56 -10.097 -31.245 -3.832 1.00 22.00 H new ATOM 916 N LEU A 57 -6.108 -28.517 -7.494 1.00 11.10 N ATOM 917 CA LEU A 57 -4.930 -28.903 -8.319 1.00 73.45 C ATOM 918 C LEU A 57 -3.923 -29.702 -7.482 1.00 53.34 C ATOM 919 O LEU A 57 -3.409 -29.218 -6.494 1.00 0.12 O ATOM 920 CB LEU A 57 -4.315 -27.579 -8.770 1.00 62.23 C ATOM 921 CG LEU A 57 -2.992 -27.851 -9.486 1.00 1.31 C ATOM 922 CD1 LEU A 57 -3.081 -27.362 -10.933 1.00 61.35 C ATOM 923 CD2 LEU A 57 -1.861 -27.113 -8.766 1.00 72.04 C ATOM 0 H LEU A 57 -5.965 -27.719 -6.876 1.00 11.10 H new ATOM 0 HA LEU A 57 -5.210 -29.536 -9.161 1.00 73.45 H new ATOM 0 HB2 LEU A 57 -5.001 -27.055 -9.436 1.00 62.23 H new ATOM 0 HB3 LEU A 57 -4.149 -26.931 -7.910 1.00 62.23 H new ATOM 0 HG LEU A 57 -2.790 -28.922 -9.478 1.00 1.31 H new ATOM 0 HD11 LEU A 57 -2.137 -27.557 -11.442 1.00 61.35 H new ATOM 0 HD12 LEU A 57 -3.885 -27.889 -11.446 1.00 61.35 H new ATOM 0 HD13 LEU A 57 -3.284 -26.291 -10.943 1.00 61.35 H new ATOM 0 HD21 LEU A 57 -0.917 -27.307 -9.276 1.00 72.04 H new ATOM 0 HD22 LEU A 57 -2.064 -26.042 -8.772 1.00 72.04 H new ATOM 0 HD23 LEU A 57 -1.795 -27.464 -7.736 1.00 72.04 H new ATOM 935 N PRO A 58 -3.669 -30.907 -7.921 1.00 2.23 N ATOM 936 CA PRO A 58 -2.710 -31.794 -7.221 1.00 34.14 C ATOM 937 C PRO A 58 -1.275 -31.350 -7.511 1.00 33.41 C ATOM 938 O PRO A 58 -1.046 -30.361 -8.180 1.00 53.43 O ATOM 939 CB PRO A 58 -2.976 -33.166 -7.833 1.00 61.40 C ATOM 940 CG PRO A 58 -3.555 -32.882 -9.183 1.00 25.12 C ATOM 941 CD PRO A 58 -4.251 -31.548 -9.101 1.00 62.23 C ATOM 0 HA PRO A 58 -2.829 -31.783 -6.138 1.00 34.14 H new ATOM 0 HB2 PRO A 58 -2.058 -33.748 -7.912 1.00 61.40 H new ATOM 0 HB3 PRO A 58 -3.668 -33.744 -7.220 1.00 61.40 H new ATOM 0 HG2 PRO A 58 -2.771 -32.861 -9.940 1.00 25.12 H new ATOM 0 HG3 PRO A 58 -4.257 -33.664 -9.472 1.00 25.12 H new ATOM 0 HD2 PRO A 58 -4.081 -30.955 -10.000 1.00 62.23 H new ATOM 0 HD3 PRO A 58 -5.329 -31.668 -8.997 1.00 62.23 H new ATOM 949 N LEU A 59 -0.305 -32.078 -7.032 1.00 44.12 N ATOM 950 CA LEU A 59 1.109 -31.697 -7.306 1.00 51.02 C ATOM 951 C LEU A 59 1.782 -32.780 -8.141 1.00 71.54 C ATOM 952 O LEU A 59 2.877 -33.220 -7.853 1.00 32.15 O ATOM 953 CB LEU A 59 1.773 -31.605 -5.939 1.00 62.23 C ATOM 954 CG LEU A 59 1.880 -33.001 -5.319 1.00 43.22 C ATOM 955 CD1 LEU A 59 3.322 -33.247 -4.873 1.00 64.52 C ATOM 956 CD2 LEU A 59 0.952 -33.096 -4.107 1.00 13.41 C ATOM 0 H LEU A 59 -0.429 -32.917 -6.465 1.00 44.12 H new ATOM 0 HA LEU A 59 1.183 -30.760 -7.858 1.00 51.02 H new ATOM 0 HB2 LEU A 59 2.765 -31.163 -6.035 1.00 62.23 H new ATOM 0 HB3 LEU A 59 1.194 -30.951 -5.287 1.00 62.23 H new ATOM 0 HG LEU A 59 1.591 -33.749 -6.057 1.00 43.22 H new ATOM 0 HD11 LEU A 59 3.402 -34.240 -4.431 1.00 64.52 H new ATOM 0 HD12 LEU A 59 3.986 -33.179 -5.735 1.00 64.52 H new ATOM 0 HD13 LEU A 59 3.607 -32.497 -4.135 1.00 64.52 H new ATOM 0 HD21 LEU A 59 1.029 -34.090 -3.667 1.00 13.41 H new ATOM 0 HD22 LEU A 59 1.241 -32.348 -3.368 1.00 13.41 H new ATOM 0 HD23 LEU A 59 -0.076 -32.917 -4.421 1.00 13.41 H new ATOM 1090 N ASN A 67 -6.416 -19.022 -16.973 1.00 35.01 N ATOM 1091 CA ASN A 67 -6.790 -17.826 -16.162 1.00 33.22 C ATOM 1092 C ASN A 67 -5.580 -17.306 -15.377 1.00 3.13 C ATOM 1093 O ASN A 67 -5.099 -16.218 -15.617 1.00 74.13 O ATOM 1094 CB ASN A 67 -7.879 -18.317 -15.208 1.00 60.31 C ATOM 1095 CG ASN A 67 -9.214 -18.379 -15.949 1.00 65.21 C ATOM 1096 OD1 ASN A 67 -9.556 -19.393 -16.523 1.00 14.30 O ATOM 1097 ND2 ASN A 67 -9.993 -17.331 -15.961 1.00 30.25 N ATOM 0 HA ASN A 67 -7.135 -17.001 -16.786 1.00 33.22 H new ATOM 0 HB2 ASN A 67 -7.620 -19.302 -14.820 1.00 60.31 H new ATOM 0 HB3 ASN A 67 -7.957 -17.647 -14.352 1.00 60.31 H new ATOM 0 HD21 ASN A 67 -10.887 -17.365 -16.452 1.00 30.25 H new ATOM 0 HD22 ASN A 67 -9.708 -16.478 -15.480 1.00 30.25 H new ATOM 1104 N ALA A 68 -5.088 -18.071 -14.441 1.00 25.51 N ATOM 1105 CA ALA A 68 -3.915 -17.607 -13.646 1.00 0.05 C ATOM 1106 C ALA A 68 -2.717 -18.526 -13.875 1.00 34.30 C ATOM 1107 O ALA A 68 -2.863 -19.684 -14.210 1.00 54.43 O ATOM 1108 CB ALA A 68 -4.374 -17.672 -12.189 1.00 73.45 C ATOM 0 H ALA A 68 -5.446 -18.994 -14.193 1.00 25.51 H new ATOM 0 HA ALA A 68 -3.597 -16.604 -13.929 1.00 0.05 H new ATOM 0 HB1 ALA A 68 -3.564 -17.345 -11.537 1.00 73.45 H new ATOM 0 HB2 ALA A 68 -5.237 -17.021 -12.050 1.00 73.45 H new ATOM 0 HB3 ALA A 68 -4.649 -18.697 -11.939 1.00 73.45 H new ATOM 1114 N ASP A 69 -1.531 -18.017 -13.694 1.00 70.32 N ATOM 1115 CA ASP A 69 -0.320 -18.862 -13.895 1.00 32.31 C ATOM 1116 C ASP A 69 0.065 -19.544 -12.583 1.00 61.13 C ATOM 1117 O ASP A 69 0.507 -18.910 -11.645 1.00 65.11 O ATOM 1118 CB ASP A 69 0.774 -17.888 -14.335 1.00 1.10 C ATOM 1119 CG ASP A 69 0.481 -17.392 -15.753 1.00 61.43 C ATOM 1120 OD1 ASP A 69 -0.686 -17.322 -16.105 1.00 12.33 O ATOM 1121 OD2 ASP A 69 1.426 -17.090 -16.460 1.00 12.33 O ATOM 0 H ASP A 69 -1.347 -17.053 -13.416 1.00 70.32 H new ATOM 0 HA ASP A 69 -0.481 -19.651 -14.630 1.00 32.31 H new ATOM 0 HB2 ASP A 69 0.822 -17.044 -13.647 1.00 1.10 H new ATOM 0 HB3 ASP A 69 1.746 -18.380 -14.305 1.00 1.10 H new ATOM 1126 N ILE A 70 -0.106 -20.830 -12.510 1.00 31.32 N ATOM 1127 CA ILE A 70 0.242 -21.562 -11.257 1.00 61.40 C ATOM 1128 C ILE A 70 1.645 -21.159 -10.782 1.00 10.44 C ATOM 1129 O ILE A 70 1.962 -21.251 -9.613 1.00 74.22 O ATOM 1130 CB ILE A 70 0.171 -23.053 -11.631 1.00 43.12 C ATOM 1131 CG1 ILE A 70 -0.295 -23.863 -10.416 1.00 2.21 C ATOM 1132 CG2 ILE A 70 1.543 -23.566 -12.088 1.00 62.15 C ATOM 1133 CD1 ILE A 70 0.450 -23.397 -9.162 1.00 5.31 C ATOM 0 H ILE A 70 -0.473 -21.411 -13.264 1.00 31.32 H new ATOM 0 HA ILE A 70 -0.434 -21.332 -10.433 1.00 61.40 H new ATOM 0 HB ILE A 70 -0.537 -23.171 -12.452 1.00 43.12 H new ATOM 0 HG12 ILE A 70 -1.369 -23.742 -10.277 1.00 2.21 H new ATOM 0 HG13 ILE A 70 -0.113 -24.924 -10.584 1.00 2.21 H new ATOM 0 HG21 ILE A 70 1.469 -24.622 -12.347 1.00 62.15 H new ATOM 0 HG22 ILE A 70 1.871 -23.000 -12.960 1.00 62.15 H new ATOM 0 HG23 ILE A 70 2.266 -23.440 -11.282 1.00 62.15 H new ATOM 0 HD11 ILE A 70 0.114 -23.977 -8.302 1.00 5.31 H new ATOM 0 HD12 ILE A 70 1.521 -23.541 -9.301 1.00 5.31 H new ATOM 0 HD13 ILE A 70 0.246 -22.340 -8.989 1.00 5.31 H new ATOM 1145 N GLU A 71 2.482 -20.713 -11.679 1.00 74.41 N ATOM 1146 CA GLU A 71 3.857 -20.302 -11.270 1.00 41.11 C ATOM 1147 C GLU A 71 3.809 -18.942 -10.571 1.00 72.10 C ATOM 1148 O GLU A 71 4.357 -18.762 -9.502 1.00 54.32 O ATOM 1149 CB GLU A 71 4.649 -20.202 -12.576 1.00 51.23 C ATOM 1150 CG GLU A 71 4.679 -21.567 -13.265 1.00 34.22 C ATOM 1151 CD GLU A 71 6.119 -22.082 -13.314 1.00 62.55 C ATOM 1152 OE1 GLU A 71 6.836 -21.871 -12.349 1.00 72.43 O ATOM 1153 OE2 GLU A 71 6.481 -22.682 -14.314 1.00 21.43 O ATOM 0 H GLU A 71 2.275 -20.615 -12.673 1.00 74.41 H new ATOM 0 HA GLU A 71 4.309 -21.008 -10.573 1.00 41.11 H new ATOM 0 HB2 GLU A 71 4.193 -19.462 -13.233 1.00 51.23 H new ATOM 0 HB3 GLU A 71 5.665 -19.864 -12.372 1.00 51.23 H new ATOM 0 HG2 GLU A 71 4.047 -22.273 -12.725 1.00 34.22 H new ATOM 0 HG3 GLU A 71 4.276 -21.486 -14.274 1.00 34.22 H new ATOM 1160 N LYS A 72 3.155 -17.984 -11.167 1.00 65.21 N ATOM 1161 CA LYS A 72 3.066 -16.635 -10.534 1.00 53.20 C ATOM 1162 C LYS A 72 2.405 -16.751 -9.159 1.00 75.35 C ATOM 1163 O LYS A 72 2.537 -15.882 -8.319 1.00 1.31 O ATOM 1164 CB LYS A 72 2.198 -15.808 -11.481 1.00 22.03 C ATOM 1165 CG LYS A 72 3.001 -15.459 -12.736 1.00 24.23 C ATOM 1166 CD LYS A 72 3.013 -13.941 -12.933 1.00 52.14 C ATOM 1167 CE LYS A 72 1.664 -13.482 -13.493 1.00 22.23 C ATOM 1168 NZ LYS A 72 1.370 -12.201 -12.792 1.00 3.20 N ATOM 0 H LYS A 72 2.678 -18.075 -12.064 1.00 65.21 H new ATOM 0 HA LYS A 72 4.044 -16.179 -10.383 1.00 53.20 H new ATOM 0 HB2 LYS A 72 1.303 -16.368 -11.753 1.00 22.03 H new ATOM 0 HB3 LYS A 72 1.865 -14.897 -10.984 1.00 22.03 H new ATOM 0 HG2 LYS A 72 4.021 -15.832 -12.643 1.00 24.23 H new ATOM 0 HG3 LYS A 72 2.563 -15.945 -13.607 1.00 24.23 H new ATOM 0 HD2 LYS A 72 3.212 -13.443 -11.984 1.00 52.14 H new ATOM 0 HD3 LYS A 72 3.815 -13.660 -13.615 1.00 52.14 H new ATOM 0 HE2 LYS A 72 1.713 -13.339 -14.572 1.00 22.23 H new ATOM 0 HE3 LYS A 72 0.886 -14.222 -13.305 1.00 22.23 H new ATOM 0 HZ1 LYS A 72 0.459 -11.825 -13.124 1.00 3.20 H new ATOM 0 HZ2 LYS A 72 1.322 -12.369 -11.767 1.00 3.20 H new ATOM 0 HZ3 LYS A 72 2.123 -11.513 -12.995 1.00 3.20 H new ATOM 1182 N VAL A 73 1.695 -17.820 -8.925 1.00 33.43 N ATOM 1183 CA VAL A 73 1.023 -17.999 -7.607 1.00 65.34 C ATOM 1184 C VAL A 73 2.008 -18.584 -6.590 1.00 63.54 C ATOM 1185 O VAL A 73 1.824 -18.468 -5.394 1.00 71.32 O ATOM 1186 CB VAL A 73 -0.117 -18.979 -7.878 1.00 51.33 C ATOM 1187 CG1 VAL A 73 -0.916 -19.197 -6.593 1.00 54.30 C ATOM 1188 CG2 VAL A 73 -1.039 -18.403 -8.957 1.00 3.01 C ATOM 0 H VAL A 73 1.551 -18.579 -9.591 1.00 33.43 H new ATOM 0 HA VAL A 73 0.661 -17.058 -7.193 1.00 65.34 H new ATOM 0 HB VAL A 73 0.294 -19.929 -8.219 1.00 51.33 H new ATOM 0 HG11 VAL A 73 -1.730 -19.896 -6.785 1.00 54.30 H new ATOM 0 HG12 VAL A 73 -0.262 -19.605 -5.822 1.00 54.30 H new ATOM 0 HG13 VAL A 73 -1.327 -18.246 -6.254 1.00 54.30 H new ATOM 0 HG21 VAL A 73 -1.853 -19.102 -9.151 1.00 3.01 H new ATOM 0 HG22 VAL A 73 -1.450 -17.453 -8.615 1.00 3.01 H new ATOM 0 HG23 VAL A 73 -0.471 -18.244 -9.874 1.00 3.01 H new ATOM 1198 N LYS A 74 3.047 -19.220 -7.058 1.00 54.24 N ATOM 1199 CA LYS A 74 4.042 -19.820 -6.124 1.00 55.21 C ATOM 1200 C LYS A 74 4.545 -18.773 -5.121 1.00 31.13 C ATOM 1201 O LYS A 74 4.504 -18.977 -3.925 1.00 30.25 O ATOM 1202 CB LYS A 74 5.190 -20.286 -7.022 1.00 3.15 C ATOM 1203 CG LYS A 74 4.675 -21.338 -8.006 1.00 12.04 C ATOM 1204 CD LYS A 74 4.718 -22.718 -7.346 1.00 44.30 C ATOM 1205 CE LYS A 74 3.305 -23.131 -6.932 1.00 21.20 C ATOM 1206 NZ LYS A 74 3.494 -23.998 -5.736 1.00 50.13 N ATOM 0 H LYS A 74 3.250 -19.350 -8.049 1.00 54.24 H new ATOM 0 HA LYS A 74 3.613 -20.634 -5.540 1.00 55.21 H new ATOM 0 HB2 LYS A 74 5.608 -19.438 -7.565 1.00 3.15 H new ATOM 0 HB3 LYS A 74 5.994 -20.703 -6.415 1.00 3.15 H new ATOM 0 HG2 LYS A 74 3.655 -21.100 -8.309 1.00 12.04 H new ATOM 0 HG3 LYS A 74 5.285 -21.336 -8.909 1.00 12.04 H new ATOM 0 HD2 LYS A 74 5.134 -23.451 -8.038 1.00 44.30 H new ATOM 0 HD3 LYS A 74 5.372 -22.695 -6.474 1.00 44.30 H new ATOM 0 HE2 LYS A 74 2.692 -22.261 -6.696 1.00 21.20 H new ATOM 0 HE3 LYS A 74 2.800 -23.669 -7.734 1.00 21.20 H new ATOM 0 HZ1 LYS A 74 2.567 -24.322 -5.392 1.00 50.13 H new ATOM 0 HZ2 LYS A 74 4.075 -24.821 -5.992 1.00 50.13 H new ATOM 0 HZ3 LYS A 74 3.971 -23.457 -4.987 1.00 50.13 H new ATOM 1220 N GLN A 75 5.031 -17.661 -5.605 1.00 0.43 N ATOM 1221 CA GLN A 75 5.550 -16.609 -4.682 1.00 3.15 C ATOM 1222 C GLN A 75 4.426 -16.045 -3.811 1.00 42.41 C ATOM 1223 O GLN A 75 4.669 -15.374 -2.828 1.00 74.24 O ATOM 1224 CB GLN A 75 6.112 -15.522 -5.601 1.00 60.13 C ATOM 1225 CG GLN A 75 4.982 -14.934 -6.448 1.00 1.51 C ATOM 1226 CD GLN A 75 4.213 -13.902 -5.625 1.00 42.24 C ATOM 1227 OE1 GLN A 75 4.789 -12.957 -5.122 1.00 52.24 O ATOM 1228 NE2 GLN A 75 2.925 -14.041 -5.461 1.00 75.22 N ATOM 0 H GLN A 75 5.091 -17.436 -6.598 1.00 0.43 H new ATOM 0 HA GLN A 75 6.302 -17.003 -3.999 1.00 3.15 H new ATOM 0 HB2 GLN A 75 6.582 -14.737 -5.008 1.00 60.13 H new ATOM 0 HB3 GLN A 75 6.884 -15.940 -6.246 1.00 60.13 H new ATOM 0 HG2 GLN A 75 5.390 -14.469 -7.345 1.00 1.51 H new ATOM 0 HG3 GLN A 75 4.310 -15.726 -6.777 1.00 1.51 H new ATOM 0 HE21 GLN A 75 2.440 -14.833 -5.882 1.00 75.22 H new ATOM 0 HE22 GLN A 75 2.404 -13.357 -4.912 1.00 75.22 H new ATOM 1237 N ALA A 76 3.199 -16.310 -4.157 1.00 3.14 N ATOM 1238 CA ALA A 76 2.068 -15.782 -3.342 1.00 60.31 C ATOM 1239 C ALA A 76 1.711 -16.767 -2.228 1.00 52.52 C ATOM 1240 O ALA A 76 1.480 -16.384 -1.098 1.00 33.13 O ATOM 1241 CB ALA A 76 0.903 -15.641 -4.320 1.00 45.11 C ATOM 0 H ALA A 76 2.929 -16.868 -4.967 1.00 3.14 H new ATOM 0 HA ALA A 76 2.316 -14.835 -2.863 1.00 60.31 H new ATOM 0 HB1 ALA A 76 0.030 -15.256 -3.793 1.00 45.11 H new ATOM 0 HB2 ALA A 76 1.179 -14.951 -5.117 1.00 45.11 H new ATOM 0 HB3 ALA A 76 0.668 -16.615 -4.748 1.00 45.11 H new ATOM 1247 N LEU A 77 1.662 -18.034 -2.535 1.00 31.32 N ATOM 1248 CA LEU A 77 1.319 -19.038 -1.488 1.00 32.44 C ATOM 1249 C LEU A 77 2.535 -19.300 -0.597 1.00 20.21 C ATOM 1250 O LEU A 77 2.408 -19.723 0.535 1.00 3.02 O ATOM 1251 CB LEU A 77 0.925 -20.303 -2.253 1.00 11.11 C ATOM 1252 CG LEU A 77 -0.078 -19.949 -3.354 1.00 72.11 C ATOM 1253 CD1 LEU A 77 -0.541 -21.228 -4.055 1.00 41.23 C ATOM 1254 CD2 LEU A 77 -1.284 -19.242 -2.733 1.00 61.51 C ATOM 0 H LEU A 77 1.844 -18.417 -3.463 1.00 31.32 H new ATOM 0 HA LEU A 77 0.514 -18.697 -0.837 1.00 32.44 H new ATOM 0 HB2 LEU A 77 1.810 -20.766 -2.689 1.00 11.11 H new ATOM 0 HB3 LEU A 77 0.488 -21.031 -1.570 1.00 11.11 H new ATOM 0 HG LEU A 77 0.397 -19.290 -4.081 1.00 72.11 H new ATOM 0 HD11 LEU A 77 -1.255 -20.975 -4.839 1.00 41.23 H new ATOM 0 HD12 LEU A 77 0.319 -21.733 -4.496 1.00 41.23 H new ATOM 0 HD13 LEU A 77 -1.017 -21.888 -3.330 1.00 41.23 H new ATOM 0 HD21 LEU A 77 -2.000 -18.989 -3.515 1.00 61.51 H new ATOM 0 HD22 LEU A 77 -1.758 -19.902 -2.007 1.00 61.51 H new ATOM 0 HD23 LEU A 77 -0.954 -18.331 -2.234 1.00 61.51 H new ATOM 1266 N THR A 78 3.714 -19.044 -1.097 1.00 3.42 N ATOM 1267 CA THR A 78 4.938 -19.273 -0.276 1.00 52.43 C ATOM 1268 C THR A 78 5.228 -18.035 0.580 1.00 22.32 C ATOM 1269 O THR A 78 5.780 -18.130 1.659 1.00 32.51 O ATOM 1270 CB THR A 78 6.060 -19.513 -1.289 1.00 73.14 C ATOM 1271 OG1 THR A 78 7.179 -20.084 -0.625 1.00 15.13 O ATOM 1272 CG2 THR A 78 6.469 -18.185 -1.931 1.00 64.40 C ATOM 0 H THR A 78 3.882 -18.687 -2.037 1.00 3.42 H new ATOM 0 HA THR A 78 4.832 -20.115 0.408 1.00 52.43 H new ATOM 0 HB THR A 78 5.708 -20.193 -2.065 1.00 73.14 H new ATOM 0 HG1 THR A 78 7.899 -20.240 -1.272 1.00 15.13 H new ATOM 0 HG21 THR A 78 7.268 -18.360 -2.652 1.00 64.40 H new ATOM 0 HG22 THR A 78 5.610 -17.747 -2.440 1.00 64.40 H new ATOM 0 HG23 THR A 78 6.820 -17.501 -1.159 1.00 64.40 H new ATOM 1280 N GLU A 79 4.853 -16.877 0.108 1.00 52.30 N ATOM 1281 CA GLU A 79 5.097 -15.635 0.895 1.00 21.20 C ATOM 1282 C GLU A 79 3.844 -15.283 1.700 1.00 21.22 C ATOM 1283 O GLU A 79 3.920 -14.841 2.829 1.00 23.12 O ATOM 1284 CB GLU A 79 5.383 -14.552 -0.146 1.00 75.14 C ATOM 1285 CG GLU A 79 6.704 -14.860 -0.856 1.00 75.24 C ATOM 1286 CD GLU A 79 7.846 -14.120 -0.155 1.00 34.13 C ATOM 1287 OE1 GLU A 79 7.586 -13.484 0.851 1.00 72.42 O ATOM 1288 OE2 GLU A 79 8.963 -14.205 -0.641 1.00 1.12 O ATOM 0 H GLU A 79 4.388 -16.738 -0.789 1.00 52.30 H new ATOM 0 HA GLU A 79 5.920 -15.744 1.601 1.00 21.20 H new ATOM 0 HB2 GLU A 79 4.570 -14.506 -0.871 1.00 75.14 H new ATOM 0 HB3 GLU A 79 5.436 -13.575 0.335 1.00 75.14 H new ATOM 0 HG2 GLU A 79 6.892 -15.934 -0.846 1.00 75.24 H new ATOM 0 HG3 GLU A 79 6.647 -14.556 -1.901 1.00 75.24 H new ATOM 1295 N GLN A 80 2.692 -15.480 1.121 1.00 11.44 N ATOM 1296 CA GLN A 80 1.425 -15.163 1.838 1.00 44.22 C ATOM 1297 C GLN A 80 0.650 -16.451 2.116 1.00 34.12 C ATOM 1298 O GLN A 80 0.399 -16.809 3.249 1.00 72.33 O ATOM 1299 CB GLN A 80 0.620 -14.274 0.883 1.00 2.10 C ATOM 1300 CG GLN A 80 1.543 -13.280 0.173 1.00 25.30 C ATOM 1301 CD GLN A 80 0.793 -12.648 -1.002 1.00 30.45 C ATOM 1302 OE1 GLN A 80 0.829 -11.447 -1.185 1.00 62.31 O ATOM 1303 NE2 GLN A 80 0.110 -13.412 -1.810 1.00 33.52 N ATOM 0 H GLN A 80 2.573 -15.849 0.177 1.00 11.44 H new ATOM 0 HA GLN A 80 1.613 -14.671 2.792 1.00 44.22 H new ATOM 0 HB2 GLN A 80 0.106 -14.892 0.147 1.00 2.10 H new ATOM 0 HB3 GLN A 80 -0.147 -13.735 1.438 1.00 2.10 H new ATOM 0 HG2 GLN A 80 1.870 -12.508 0.869 1.00 25.30 H new ATOM 0 HG3 GLN A 80 2.439 -13.788 -0.183 1.00 25.30 H new ATOM 0 HE21 GLN A 80 0.080 -14.420 -1.656 1.00 33.52 H new ATOM 0 HE22 GLN A 80 -0.394 -13.001 -2.596 1.00 33.52 H new ATOM 1312 N GLY A 81 0.272 -17.144 1.080 1.00 34.43 N ATOM 1313 CA GLY A 81 -0.490 -18.408 1.263 1.00 54.12 C ATOM 1314 C GLY A 81 -1.764 -18.356 0.421 1.00 24.52 C ATOM 1315 O GLY A 81 -2.520 -19.305 0.363 1.00 42.30 O ATOM 0 H GLY A 81 0.459 -16.888 0.111 1.00 34.43 H new ATOM 0 HA2 GLY A 81 0.121 -19.261 0.967 1.00 54.12 H new ATOM 0 HA3 GLY A 81 -0.741 -18.546 2.315 1.00 54.12 H new ATOM 1319 N TYR A 82 -2.012 -17.255 -0.239 1.00 71.23 N ATOM 1320 CA TYR A 82 -3.242 -17.151 -1.079 1.00 71.21 C ATOM 1321 C TYR A 82 -2.960 -16.294 -2.317 1.00 64.25 C ATOM 1322 O TYR A 82 -2.196 -15.349 -2.268 1.00 3.41 O ATOM 1323 CB TYR A 82 -4.309 -16.472 -0.205 1.00 74.34 C ATOM 1324 CG TYR A 82 -4.068 -16.757 1.263 1.00 62.32 C ATOM 1325 CD1 TYR A 82 -3.181 -15.956 1.993 1.00 14.02 C ATOM 1326 CD2 TYR A 82 -4.734 -17.816 1.891 1.00 22.25 C ATOM 1327 CE1 TYR A 82 -2.959 -16.217 3.351 1.00 60.32 C ATOM 1328 CE2 TYR A 82 -4.513 -18.075 3.251 1.00 13.25 C ATOM 1329 CZ TYR A 82 -3.625 -17.274 3.980 1.00 72.32 C ATOM 1330 OH TYR A 82 -3.406 -17.528 5.318 1.00 44.33 O ATOM 0 H TYR A 82 -1.418 -16.426 -0.233 1.00 71.23 H new ATOM 0 HA TYR A 82 -3.573 -18.132 -1.419 1.00 71.21 H new ATOM 0 HB2 TYR A 82 -4.295 -15.396 -0.378 1.00 74.34 H new ATOM 0 HB3 TYR A 82 -5.299 -16.828 -0.491 1.00 74.34 H new ATOM 0 HD1 TYR A 82 -2.669 -15.138 1.509 1.00 14.02 H new ATOM 0 HD2 TYR A 82 -5.418 -18.434 1.328 1.00 22.25 H new ATOM 0 HE1 TYR A 82 -2.273 -15.601 3.913 1.00 60.32 H new ATOM 0 HE2 TYR A 82 -5.027 -18.892 3.736 1.00 13.25 H new ATOM 0 HH TYR A 82 -3.947 -18.295 5.598 1.00 44.33 H new ATOM 1340 N TYR A 83 -3.579 -16.608 -3.421 1.00 62.11 N ATOM 1341 CA TYR A 83 -3.356 -15.803 -4.657 1.00 35.21 C ATOM 1342 C TYR A 83 -4.667 -15.669 -5.436 1.00 14.10 C ATOM 1343 O TYR A 83 -5.267 -16.647 -5.831 1.00 44.04 O ATOM 1344 CB TYR A 83 -2.331 -16.585 -5.474 1.00 32.02 C ATOM 1345 CG TYR A 83 -2.123 -15.896 -6.803 1.00 45.20 C ATOM 1346 CD1 TYR A 83 -3.079 -16.035 -7.816 1.00 31.35 C ATOM 1347 CD2 TYR A 83 -0.981 -15.115 -7.021 1.00 15.12 C ATOM 1348 CE1 TYR A 83 -2.892 -15.392 -9.047 1.00 3.13 C ATOM 1349 CE2 TYR A 83 -0.795 -14.475 -8.249 1.00 54.14 C ATOM 1350 CZ TYR A 83 -1.750 -14.613 -9.263 1.00 31.31 C ATOM 1351 OH TYR A 83 -1.566 -13.979 -10.476 1.00 2.12 O ATOM 0 H TYR A 83 -4.230 -17.387 -3.522 1.00 62.11 H new ATOM 0 HA TYR A 83 -3.007 -14.795 -4.432 1.00 35.21 H new ATOM 0 HB2 TYR A 83 -1.387 -16.647 -4.932 1.00 32.02 H new ATOM 0 HB3 TYR A 83 -2.677 -17.607 -5.631 1.00 32.02 H new ATOM 0 HD1 TYR A 83 -3.960 -16.637 -7.649 1.00 31.35 H new ATOM 0 HD2 TYR A 83 -0.244 -15.007 -6.239 1.00 15.12 H new ATOM 0 HE1 TYR A 83 -3.629 -15.498 -9.829 1.00 3.13 H new ATOM 0 HE2 TYR A 83 0.086 -13.873 -8.416 1.00 54.14 H new ATOM 0 HH TYR A 83 -0.723 -13.479 -10.459 1.00 2.12 H new ATOM 1361 N LEU A 84 -5.114 -14.466 -5.655 1.00 63.43 N ATOM 1362 CA LEU A 84 -6.388 -14.270 -6.405 1.00 64.24 C ATOM 1363 C LEU A 84 -6.099 -13.939 -7.870 1.00 50.01 C ATOM 1364 O LEU A 84 -5.368 -13.019 -8.177 1.00 73.41 O ATOM 1365 CB LEU A 84 -7.075 -13.095 -5.707 1.00 31.44 C ATOM 1366 CG LEU A 84 -8.348 -12.707 -6.467 1.00 21.34 C ATOM 1367 CD1 LEU A 84 -9.131 -13.965 -6.846 1.00 5.11 C ATOM 1368 CD2 LEU A 84 -9.217 -11.821 -5.571 1.00 34.04 C ATOM 0 H LEU A 84 -4.654 -13.609 -5.348 1.00 63.43 H new ATOM 0 HA LEU A 84 -7.011 -15.164 -6.406 1.00 64.24 H new ATOM 0 HB2 LEU A 84 -7.322 -13.365 -4.680 1.00 31.44 H new ATOM 0 HB3 LEU A 84 -6.397 -12.243 -5.658 1.00 31.44 H new ATOM 0 HG LEU A 84 -8.077 -12.166 -7.374 1.00 21.34 H new ATOM 0 HD11 LEU A 84 -10.035 -13.682 -7.386 1.00 5.11 H new ATOM 0 HD12 LEU A 84 -8.513 -14.601 -7.480 1.00 5.11 H new ATOM 0 HD13 LEU A 84 -9.404 -14.510 -5.942 1.00 5.11 H new ATOM 0 HD21 LEU A 84 -10.125 -11.541 -6.106 1.00 34.04 H new ATOM 0 HD22 LEU A 84 -9.483 -12.368 -4.666 1.00 34.04 H new ATOM 0 HD23 LEU A 84 -8.663 -10.922 -5.301 1.00 34.04 H new ATOM 1380 N GLN A 85 -6.670 -14.686 -8.777 1.00 74.44 N ATOM 1381 CA GLN A 85 -6.428 -14.413 -10.220 1.00 54.02 C ATOM 1382 C GLN A 85 -7.603 -13.626 -10.811 1.00 72.11 C ATOM 1383 O GLN A 85 -8.748 -14.029 -10.710 1.00 3.43 O ATOM 1384 CB GLN A 85 -6.293 -15.796 -10.872 1.00 22.30 C ATOM 1385 CG GLN A 85 -7.679 -16.371 -11.187 1.00 35.53 C ATOM 1386 CD GLN A 85 -8.177 -15.850 -12.544 1.00 42.44 C ATOM 1387 OE1 GLN A 85 -9.181 -16.315 -13.048 1.00 74.45 O ATOM 1388 NE2 GLN A 85 -7.524 -14.901 -13.162 1.00 14.35 N ATOM 0 H GLN A 85 -7.291 -15.471 -8.580 1.00 74.44 H new ATOM 0 HA GLN A 85 -5.537 -13.808 -10.389 1.00 54.02 H new ATOM 0 HB2 GLN A 85 -5.707 -15.719 -11.788 1.00 22.30 H new ATOM 0 HB3 GLN A 85 -5.755 -16.470 -10.205 1.00 22.30 H new ATOM 0 HG2 GLN A 85 -7.633 -17.460 -11.202 1.00 35.53 H new ATOM 0 HG3 GLN A 85 -8.383 -16.092 -10.402 1.00 35.53 H new ATOM 0 HE21 GLN A 85 -6.681 -14.507 -12.745 1.00 14.35 H new ATOM 0 HE22 GLN A 85 -7.857 -14.555 -14.062 1.00 14.35 H new ATOM 1397 N LEU A 86 -7.325 -12.510 -11.426 1.00 63.33 N ATOM 1398 CA LEU A 86 -8.419 -11.692 -12.024 1.00 3.25 C ATOM 1399 C LEU A 86 -8.113 -11.398 -13.494 1.00 53.14 C ATOM 1400 O LEU A 86 -7.182 -10.680 -13.804 1.00 75.43 O ATOM 1401 CB LEU A 86 -8.430 -10.397 -11.212 1.00 72.31 C ATOM 1402 CG LEU A 86 -9.861 -10.070 -10.785 1.00 14.01 C ATOM 1403 CD1 LEU A 86 -10.697 -9.725 -12.019 1.00 71.11 C ATOM 1404 CD2 LEU A 86 -10.471 -11.283 -10.079 1.00 35.33 C ATOM 0 H LEU A 86 -6.386 -12.128 -11.541 1.00 63.33 H new ATOM 0 HA LEU A 86 -9.382 -12.202 -11.994 1.00 3.25 H new ATOM 0 HB2 LEU A 86 -7.793 -10.501 -10.334 1.00 72.31 H new ATOM 0 HB3 LEU A 86 -8.022 -9.580 -11.807 1.00 72.31 H new ATOM 0 HG LEU A 86 -9.851 -9.219 -10.104 1.00 14.01 H new ATOM 0 HD11 LEU A 86 -11.717 -9.492 -11.714 1.00 71.11 H new ATOM 0 HD12 LEU A 86 -10.263 -8.861 -12.523 1.00 71.11 H new ATOM 0 HD13 LEU A 86 -10.708 -10.575 -12.701 1.00 71.11 H new ATOM 0 HD21 LEU A 86 -11.491 -11.051 -9.774 1.00 35.33 H new ATOM 0 HD22 LEU A 86 -10.480 -12.134 -10.760 1.00 35.33 H new ATOM 0 HD23 LEU A 86 -9.876 -11.529 -9.199 1.00 35.33 H new