USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 490 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 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -111:sc= 1.12 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot -78:sc= 1.21 USER MOD Single : A 37 THR OG1 : rot -140:sc= -0.645 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -37:sc= 0.387 USER MOD Single : A 46 GLN : amide:sc= -8.45! C(o=-8.4!,f=-10!) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 17:sc= 0.286 USER MOD Single : A 57 ASN : amide:sc= -2.27! C(o=-2.3!,f=-1.8!) USER MOD Single : A 74 HIS : no HD1:sc= -2.57! C(o=-2.6!,f=-3.5!) USER MOD Single : A 82 ASN : amide:sc= -1.3 K(o=-1.3,f=-3.6!) USER MOD Single : A 85 TYR OH : rot -24:sc= 1.36 USER MOD Single : A 88 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 194 N GLU A 15 3.739 -41.021 -11.437 1.00 73.33 N ATOM 195 CA GLU A 15 2.622 -41.758 -10.857 1.00 23.21 C ATOM 196 C GLU A 15 2.213 -41.158 -9.515 1.00 1.21 C ATOM 197 O GLU A 15 2.664 -40.074 -9.144 1.00 41.22 O ATOM 198 CB GLU A 15 2.993 -43.232 -10.677 1.00 3.30 C ATOM 199 CG GLU A 15 2.005 -44.191 -11.319 1.00 11.14 C ATOM 200 CD GLU A 15 2.100 -44.200 -12.832 1.00 33.30 C ATOM 201 OE1 GLU A 15 1.212 -44.797 -13.478 1.00 4.24 O ATOM 202 OE2 GLU A 15 3.060 -43.612 -13.371 1.00 25.15 O ATOM 0 HA GLU A 15 1.777 -41.684 -11.541 1.00 23.21 H new ATOM 0 HB2 GLU A 15 3.982 -43.404 -11.102 1.00 3.30 H new ATOM 0 HB3 GLU A 15 3.061 -43.453 -9.612 1.00 3.30 H new ATOM 0 HG2 GLU A 15 2.184 -45.198 -10.941 1.00 11.14 H new ATOM 0 HG3 GLU A 15 0.993 -43.915 -11.024 1.00 11.14 H new ATOM 209 N TYR A 16 1.356 -41.870 -8.792 1.00 10.11 N ATOM 210 CA TYR A 16 0.883 -41.407 -7.493 1.00 20.14 C ATOM 211 C TYR A 16 0.967 -42.521 -6.454 1.00 21.22 C ATOM 212 O TYR A 16 1.407 -43.632 -6.753 1.00 4.43 O ATOM 213 CB TYR A 16 -0.557 -40.903 -7.601 1.00 10.13 C ATOM 214 CG TYR A 16 -1.461 -41.818 -8.396 1.00 1.14 C ATOM 215 CD1 TYR A 16 -1.842 -43.056 -7.894 1.00 75.42 C ATOM 216 CD2 TYR A 16 -1.933 -41.445 -9.648 1.00 4.30 C ATOM 217 CE1 TYR A 16 -2.668 -43.896 -8.617 1.00 64.21 C ATOM 218 CE2 TYR A 16 -2.759 -42.277 -10.377 1.00 72.31 C ATOM 219 CZ TYR A 16 -3.124 -43.502 -9.858 1.00 3.03 C ATOM 220 OH TYR A 16 -3.946 -44.335 -10.582 1.00 2.24 O ATOM 0 H TYR A 16 0.975 -42.770 -9.083 1.00 10.11 H new ATOM 0 HA TYR A 16 1.525 -40.587 -7.172 1.00 20.14 H new ATOM 0 HB2 TYR A 16 -0.967 -40.783 -6.598 1.00 10.13 H new ATOM 0 HB3 TYR A 16 -0.554 -39.917 -8.065 1.00 10.13 H new ATOM 0 HD1 TYR A 16 -1.487 -43.367 -6.923 1.00 75.42 H new ATOM 0 HD2 TYR A 16 -1.649 -40.487 -10.058 1.00 4.30 H new ATOM 0 HE1 TYR A 16 -2.955 -44.855 -8.213 1.00 64.21 H new ATOM 0 HE2 TYR A 16 -3.118 -41.970 -11.349 1.00 72.31 H new ATOM 0 HH TYR A 16 -4.178 -43.907 -11.433 1.00 2.24 H new ATOM 230 N ILE A 17 0.541 -42.216 -5.233 1.00 10.02 N ATOM 231 CA ILE A 17 0.566 -43.191 -4.150 1.00 11.14 C ATOM 232 C ILE A 17 -0.840 -43.471 -3.629 1.00 41.34 C ATOM 233 O ILE A 17 -1.543 -42.560 -3.192 1.00 34.25 O ATOM 234 CB ILE A 17 1.448 -42.712 -2.981 1.00 54.12 C ATOM 235 CG1 ILE A 17 1.265 -43.626 -1.768 1.00 1.01 C ATOM 236 CG2 ILE A 17 1.114 -41.272 -2.621 1.00 53.15 C ATOM 237 CD1 ILE A 17 2.187 -43.293 -0.616 1.00 44.21 C ATOM 0 H ILE A 17 0.174 -41.301 -4.969 1.00 10.02 H new ATOM 0 HA ILE A 17 0.988 -44.108 -4.561 1.00 11.14 H new ATOM 0 HB ILE A 17 2.492 -42.756 -3.291 1.00 54.12 H new ATOM 0 HG12 ILE A 17 0.232 -43.561 -1.427 1.00 1.01 H new ATOM 0 HG13 ILE A 17 1.435 -44.659 -2.072 1.00 1.01 H new ATOM 0 HG21 ILE A 17 1.745 -40.948 -1.794 1.00 53.15 H new ATOM 0 HG22 ILE A 17 1.290 -40.631 -3.485 1.00 53.15 H new ATOM 0 HG23 ILE A 17 0.067 -41.204 -2.326 1.00 53.15 H new ATOM 0 HD11 ILE A 17 2.002 -43.981 0.209 1.00 44.21 H new ATOM 0 HD12 ILE A 17 3.223 -43.386 -0.941 1.00 44.21 H new ATOM 0 HD13 ILE A 17 2.001 -42.271 -0.285 1.00 44.21 H new ATOM 249 N ARG A 18 -1.242 -44.736 -3.679 1.00 32.41 N ATOM 250 CA ARG A 18 -2.564 -45.137 -3.212 1.00 11.30 C ATOM 251 C ARG A 18 -2.461 -45.975 -1.941 1.00 41.10 C ATOM 252 O ARG A 18 -2.085 -47.146 -1.986 1.00 70.30 O ATOM 253 CB ARG A 18 -3.295 -45.927 -4.299 1.00 64.21 C ATOM 254 CG ARG A 18 -4.077 -45.053 -5.266 1.00 64.41 C ATOM 255 CD ARG A 18 -5.495 -45.567 -5.459 1.00 22.00 C ATOM 256 NE ARG A 18 -6.475 -44.748 -4.751 1.00 43.30 N ATOM 257 CZ ARG A 18 -7.761 -44.694 -5.078 1.00 51.41 C ATOM 258 NH1 ARG A 18 -8.220 -45.408 -6.096 1.00 52.25 N ATOM 259 NH2 ARG A 18 -8.591 -43.924 -4.386 1.00 32.13 N ATOM 0 H ARG A 18 -0.671 -45.501 -4.038 1.00 32.41 H new ATOM 0 HA ARG A 18 -3.131 -44.234 -2.986 1.00 11.30 H new ATOM 0 HB2 ARG A 18 -2.568 -46.515 -4.860 1.00 64.21 H new ATOM 0 HB3 ARG A 18 -3.978 -46.632 -3.826 1.00 64.21 H new ATOM 0 HG2 ARG A 18 -4.107 -44.030 -4.891 1.00 64.41 H new ATOM 0 HG3 ARG A 18 -3.565 -45.024 -6.228 1.00 64.41 H new ATOM 0 HD2 ARG A 18 -5.734 -45.580 -6.522 1.00 22.00 H new ATOM 0 HD3 ARG A 18 -5.559 -46.596 -5.105 1.00 22.00 H new ATOM 0 HE ARG A 18 -6.154 -44.187 -3.962 1.00 43.30 H new ATOM 0 HH11 ARG A 18 -7.585 -46.001 -6.630 1.00 52.25 H new ATOM 0 HH12 ARG A 18 -9.208 -45.365 -6.345 1.00 52.25 H new ATOM 0 HH21 ARG A 18 -8.241 -43.373 -3.602 1.00 32.13 H new ATOM 0 HH22 ARG A 18 -9.579 -43.883 -4.638 1.00 32.13 H new ATOM 273 N VAL A 19 -2.797 -45.366 -0.808 1.00 61.20 N ATOM 274 CA VAL A 19 -2.743 -46.056 0.475 1.00 2.14 C ATOM 275 C VAL A 19 -3.810 -45.528 1.428 1.00 25.32 C ATOM 276 O VAL A 19 -4.434 -44.498 1.171 1.00 22.30 O ATOM 277 CB VAL A 19 -1.360 -45.904 1.136 1.00 23.41 C ATOM 278 CG1 VAL A 19 -0.349 -46.830 0.477 1.00 24.31 C ATOM 279 CG2 VAL A 19 -0.893 -44.458 1.069 1.00 33.02 C ATOM 0 H VAL A 19 -3.109 -44.397 -0.753 1.00 61.20 H new ATOM 0 HA VAL A 19 -2.928 -47.111 0.275 1.00 2.14 H new ATOM 0 HB VAL A 19 -1.445 -46.186 2.186 1.00 23.41 H new ATOM 0 HG11 VAL A 19 0.622 -46.709 0.957 1.00 24.31 H new ATOM 0 HG12 VAL A 19 -0.679 -47.863 0.582 1.00 24.31 H new ATOM 0 HG13 VAL A 19 -0.264 -46.582 -0.581 1.00 24.31 H new ATOM 0 HG21 VAL A 19 0.086 -44.369 1.541 1.00 33.02 H new ATOM 0 HG22 VAL A 19 -0.823 -44.146 0.027 1.00 33.02 H new ATOM 0 HG23 VAL A 19 -1.606 -43.821 1.591 1.00 33.02 H new ATOM 289 N THR A 20 -4.014 -46.241 2.532 1.00 54.22 N ATOM 290 CA THR A 20 -5.006 -45.845 3.524 1.00 72.43 C ATOM 291 C THR A 20 -4.486 -46.065 4.940 1.00 63.35 C ATOM 292 O THR A 20 -3.677 -46.961 5.181 1.00 74.13 O ATOM 293 CB THR A 20 -6.322 -46.627 3.345 1.00 4.34 C ATOM 294 OG1 THR A 20 -7.063 -46.623 4.570 1.00 34.33 O ATOM 295 CG2 THR A 20 -6.046 -48.060 2.918 1.00 62.34 C ATOM 0 H THR A 20 -3.506 -47.095 2.761 1.00 54.22 H new ATOM 0 HA THR A 20 -5.199 -44.783 3.372 1.00 72.43 H new ATOM 0 HB THR A 20 -6.907 -46.139 2.565 1.00 4.34 H new ATOM 0 HG1 THR A 20 -7.073 -47.527 4.949 1.00 34.33 H new ATOM 0 HG21 THR A 20 -6.990 -48.592 2.798 1.00 62.34 H new ATOM 0 HG22 THR A 20 -5.506 -48.060 1.971 1.00 62.34 H new ATOM 0 HG23 THR A 20 -5.444 -48.557 3.679 1.00 62.34 H new ATOM 303 N GLU A 21 -4.955 -45.243 5.872 1.00 12.52 N ATOM 304 CA GLU A 21 -4.536 -45.349 7.265 1.00 43.43 C ATOM 305 C GLU A 21 -5.311 -46.448 7.984 1.00 31.43 C ATOM 306 O GLU A 21 -4.751 -47.194 8.788 1.00 4.31 O ATOM 307 CB GLU A 21 -4.737 -44.013 7.984 1.00 22.23 C ATOM 308 CG GLU A 21 -3.878 -43.856 9.228 1.00 64.44 C ATOM 309 CD GLU A 21 -4.698 -43.812 10.502 1.00 53.10 C ATOM 310 OE1 GLU A 21 -4.974 -42.696 10.990 1.00 14.03 O ATOM 311 OE2 GLU A 21 -5.064 -44.892 11.011 1.00 40.21 O ATOM 0 H GLU A 21 -5.625 -44.496 5.689 1.00 12.52 H new ATOM 0 HA GLU A 21 -3.477 -45.606 7.281 1.00 43.43 H new ATOM 0 HB2 GLU A 21 -4.513 -43.201 7.293 1.00 22.23 H new ATOM 0 HB3 GLU A 21 -5.786 -43.914 8.262 1.00 22.23 H new ATOM 0 HG2 GLU A 21 -3.171 -44.684 9.284 1.00 64.44 H new ATOM 0 HG3 GLU A 21 -3.291 -42.941 9.146 1.00 64.44 H new ATOM 318 N ASP A 22 -6.603 -46.543 7.690 1.00 50.41 N ATOM 319 CA ASP A 22 -7.456 -47.551 8.308 1.00 54.14 C ATOM 320 C ASP A 22 -7.802 -48.654 7.312 1.00 22.23 C ATOM 321 O ASP A 22 -8.097 -48.383 6.149 1.00 42.11 O ATOM 322 CB ASP A 22 -8.738 -46.908 8.841 1.00 61.25 C ATOM 323 CG ASP A 22 -8.506 -46.128 10.119 1.00 3.14 C ATOM 324 OD1 ASP A 22 -8.119 -46.749 11.132 1.00 51.21 O ATOM 325 OD2 ASP A 22 -8.710 -44.896 10.108 1.00 63.14 O ATOM 0 H ASP A 22 -7.083 -45.934 7.027 1.00 50.41 H new ATOM 0 HA ASP A 22 -6.908 -47.995 9.139 1.00 54.14 H new ATOM 0 HB2 ASP A 22 -9.150 -46.242 8.082 1.00 61.25 H new ATOM 0 HB3 ASP A 22 -9.482 -47.684 9.022 1.00 61.25 H new ATOM 330 N GLU A 23 -7.762 -49.899 7.778 1.00 3.43 N ATOM 331 CA GLU A 23 -8.069 -51.042 6.928 1.00 63.45 C ATOM 332 C GLU A 23 -9.510 -50.979 6.430 1.00 61.02 C ATOM 333 O GLU A 23 -9.810 -51.395 5.312 1.00 73.31 O ATOM 334 CB GLU A 23 -7.838 -52.349 7.689 1.00 24.31 C ATOM 335 CG GLU A 23 -8.752 -52.524 8.890 1.00 74.03 C ATOM 336 CD GLU A 23 -8.147 -53.410 9.961 1.00 64.44 C ATOM 337 OE1 GLU A 23 -6.964 -53.201 10.304 1.00 32.10 O ATOM 338 OE2 GLU A 23 -8.854 -54.313 10.455 1.00 51.13 O ATOM 0 H GLU A 23 -7.520 -50.141 8.739 1.00 3.43 H new ATOM 0 HA GLU A 23 -7.403 -51.009 6.066 1.00 63.45 H new ATOM 0 HB2 GLU A 23 -7.983 -53.187 7.007 1.00 24.31 H new ATOM 0 HB3 GLU A 23 -6.801 -52.386 8.024 1.00 24.31 H new ATOM 0 HG2 GLU A 23 -8.976 -51.546 9.317 1.00 74.03 H new ATOM 0 HG3 GLU A 23 -9.699 -52.953 8.562 1.00 74.03 H new ATOM 345 N ASN A 24 -10.397 -50.455 7.269 1.00 32.35 N ATOM 346 CA ASN A 24 -11.807 -50.338 6.916 1.00 32.11 C ATOM 347 C ASN A 24 -12.021 -49.226 5.894 1.00 13.44 C ATOM 348 O ASN A 24 -12.963 -49.269 5.103 1.00 52.43 O ATOM 349 CB ASN A 24 -12.647 -50.066 8.166 1.00 22.40 C ATOM 350 CG ASN A 24 -13.901 -50.918 8.216 1.00 1.35 C ATOM 351 OD1 ASN A 24 -14.825 -50.729 7.425 1.00 62.10 O ATOM 352 ND2 ASN A 24 -13.938 -51.861 9.151 1.00 54.24 N ATOM 0 H ASN A 24 -10.164 -50.105 8.198 1.00 32.35 H new ATOM 0 HA ASN A 24 -12.124 -51.282 6.472 1.00 32.11 H new ATOM 0 HB2 ASN A 24 -12.045 -50.258 9.054 1.00 22.40 H new ATOM 0 HB3 ASN A 24 -12.925 -49.012 8.191 1.00 22.40 H new ATOM 0 HD21 ASN A 24 -14.756 -52.465 9.235 1.00 54.24 H new ATOM 0 HD22 ASN A 24 -13.148 -51.982 9.785 1.00 54.24 H new ATOM 359 N ASP A 25 -11.141 -48.231 5.918 1.00 61.13 N ATOM 360 CA ASP A 25 -11.232 -47.108 4.993 1.00 42.54 C ATOM 361 C ASP A 25 -10.616 -47.464 3.643 1.00 11.40 C ATOM 362 O ASP A 25 -9.740 -48.323 3.558 1.00 45.10 O ATOM 363 CB ASP A 25 -10.533 -45.879 5.578 1.00 61.51 C ATOM 364 CG ASP A 25 -11.013 -44.586 4.950 1.00 43.13 C ATOM 365 OD1 ASP A 25 -10.167 -43.706 4.683 1.00 53.00 O ATOM 366 OD2 ASP A 25 -12.234 -44.454 4.724 1.00 44.41 O ATOM 0 H ASP A 25 -10.357 -48.180 6.568 1.00 61.13 H new ATOM 0 HA ASP A 25 -12.287 -46.879 4.842 1.00 42.54 H new ATOM 0 HB2 ASP A 25 -10.707 -45.843 6.653 1.00 61.51 H new ATOM 0 HB3 ASP A 25 -9.457 -45.973 5.432 1.00 61.51 H new ATOM 371 N GLU A 26 -11.082 -46.798 2.591 1.00 14.52 N ATOM 372 CA GLU A 26 -10.578 -47.046 1.246 1.00 52.03 C ATOM 373 C GLU A 26 -9.215 -46.390 1.046 1.00 61.21 C ATOM 374 O GLU A 26 -8.865 -45.413 1.708 1.00 24.44 O ATOM 375 CB GLU A 26 -11.566 -46.522 0.202 1.00 55.21 C ATOM 376 CG GLU A 26 -12.471 -47.598 -0.375 1.00 23.12 C ATOM 377 CD GLU A 26 -13.877 -47.097 -0.643 1.00 24.14 C ATOM 378 OE1 GLU A 26 -14.498 -46.549 0.292 1.00 52.55 O ATOM 379 OE2 GLU A 26 -14.355 -47.254 -1.785 1.00 53.42 O ATOM 0 H GLU A 26 -11.807 -46.083 2.645 1.00 14.52 H new ATOM 0 HA GLU A 26 -10.466 -48.123 1.121 1.00 52.03 H new ATOM 0 HB2 GLU A 26 -12.182 -45.746 0.655 1.00 55.21 H new ATOM 0 HB3 GLU A 26 -11.009 -46.054 -0.610 1.00 55.21 H new ATOM 0 HG2 GLU A 26 -12.039 -47.971 -1.304 1.00 23.12 H new ATOM 0 HG3 GLU A 26 -12.515 -48.439 0.316 1.00 23.12 H new ATOM 386 N PRO A 27 -8.426 -46.940 0.111 1.00 41.44 N ATOM 387 CA PRO A 27 -7.089 -46.425 -0.199 1.00 4.01 C ATOM 388 C PRO A 27 -7.136 -45.069 -0.895 1.00 71.34 C ATOM 389 O PRO A 27 -7.485 -44.978 -2.073 1.00 3.12 O ATOM 390 CB PRO A 27 -6.508 -47.487 -1.136 1.00 22.24 C ATOM 391 CG PRO A 27 -7.696 -48.132 -1.761 1.00 15.22 C ATOM 392 CD PRO A 27 -8.779 -48.105 -0.717 1.00 62.22 C ATOM 0 HA PRO A 27 -6.497 -46.261 0.702 1.00 4.01 H new ATOM 0 HB2 PRO A 27 -5.859 -47.039 -1.889 1.00 22.24 H new ATOM 0 HB3 PRO A 27 -5.906 -48.212 -0.588 1.00 22.24 H new ATOM 0 HG2 PRO A 27 -8.005 -47.595 -2.658 1.00 15.22 H new ATOM 0 HG3 PRO A 27 -7.471 -49.155 -2.063 1.00 15.22 H new ATOM 0 HD2 PRO A 27 -9.766 -47.995 -1.165 1.00 62.22 H new ATOM 0 HD3 PRO A 27 -8.795 -49.024 -0.131 1.00 62.22 H new ATOM 400 N ILE A 28 -6.783 -44.020 -0.161 1.00 52.52 N ATOM 401 CA ILE A 28 -6.784 -42.669 -0.710 1.00 34.11 C ATOM 402 C ILE A 28 -5.593 -42.451 -1.637 1.00 32.34 C ATOM 403 O ILE A 28 -4.492 -42.932 -1.371 1.00 0.43 O ATOM 404 CB ILE A 28 -6.753 -41.608 0.406 1.00 71.10 C ATOM 405 CG1 ILE A 28 -6.771 -40.202 -0.197 1.00 13.12 C ATOM 406 CG2 ILE A 28 -5.525 -41.798 1.283 1.00 20.35 C ATOM 407 CD1 ILE A 28 -8.023 -39.901 -0.991 1.00 10.00 C ATOM 0 H ILE A 28 -6.493 -44.079 0.815 1.00 52.52 H new ATOM 0 HA ILE A 28 -7.708 -42.560 -1.278 1.00 34.11 H new ATOM 0 HB ILE A 28 -7.641 -41.728 1.027 1.00 71.10 H new ATOM 0 HG12 ILE A 28 -6.674 -39.470 0.605 1.00 13.12 H new ATOM 0 HG13 ILE A 28 -5.902 -40.082 -0.844 1.00 13.12 H new ATOM 0 HG21 ILE A 28 -5.517 -41.041 2.067 1.00 20.35 H new ATOM 0 HG22 ILE A 28 -5.551 -42.789 1.736 1.00 20.35 H new ATOM 0 HG23 ILE A 28 -4.625 -41.700 0.675 1.00 20.35 H new ATOM 0 HD11 ILE A 28 -7.967 -38.888 -1.389 1.00 10.00 H new ATOM 0 HD12 ILE A 28 -8.111 -40.610 -1.815 1.00 10.00 H new ATOM 0 HD13 ILE A 28 -8.895 -39.988 -0.343 1.00 10.00 H new ATOM 419 N GLU A 29 -5.822 -41.722 -2.725 1.00 31.35 N ATOM 420 CA GLU A 29 -4.767 -41.440 -3.690 1.00 64.12 C ATOM 421 C GLU A 29 -4.204 -40.036 -3.487 1.00 33.13 C ATOM 422 O GLU A 29 -4.955 -39.071 -3.339 1.00 23.10 O ATOM 423 CB GLU A 29 -5.298 -41.587 -5.118 1.00 12.55 C ATOM 424 CG GLU A 29 -6.608 -40.854 -5.358 1.00 4.05 C ATOM 425 CD GLU A 29 -6.604 -40.062 -6.650 1.00 53.44 C ATOM 426 OE1 GLU A 29 -6.205 -40.626 -7.691 1.00 34.35 O ATOM 427 OE2 GLU A 29 -7.000 -38.878 -6.622 1.00 41.43 O ATOM 0 H GLU A 29 -6.728 -41.317 -2.960 1.00 31.35 H new ATOM 0 HA GLU A 29 -3.965 -42.161 -3.532 1.00 64.12 H new ATOM 0 HB2 GLU A 29 -4.549 -41.213 -5.816 1.00 12.55 H new ATOM 0 HB3 GLU A 29 -5.438 -42.645 -5.338 1.00 12.55 H new ATOM 0 HG2 GLU A 29 -7.425 -41.575 -5.381 1.00 4.05 H new ATOM 0 HG3 GLU A 29 -6.801 -40.180 -4.523 1.00 4.05 H new ATOM 434 N ILE A 30 -2.880 -39.931 -3.480 1.00 22.12 N ATOM 435 CA ILE A 30 -2.217 -38.646 -3.295 1.00 62.20 C ATOM 436 C ILE A 30 -1.201 -38.387 -4.403 1.00 31.45 C ATOM 437 O ILE A 30 -0.557 -39.303 -4.915 1.00 75.31 O ATOM 438 CB ILE A 30 -1.504 -38.571 -1.932 1.00 63.50 C ATOM 439 CG1 ILE A 30 -1.599 -39.916 -1.207 1.00 53.35 C ATOM 440 CG2 ILE A 30 -2.102 -37.461 -1.081 1.00 71.23 C ATOM 441 CD1 ILE A 30 -0.756 -39.988 0.046 1.00 2.21 C ATOM 0 H ILE A 30 -2.245 -40.720 -3.600 1.00 22.12 H new ATOM 0 HA ILE A 30 -2.994 -37.882 -3.332 1.00 62.20 H new ATOM 0 HB ILE A 30 -0.451 -38.345 -2.102 1.00 63.50 H new ATOM 0 HG12 ILE A 30 -2.640 -40.106 -0.946 1.00 53.35 H new ATOM 0 HG13 ILE A 30 -1.291 -40.709 -1.888 1.00 53.35 H new ATOM 0 HG21 ILE A 30 -1.587 -37.421 -0.121 1.00 71.23 H new ATOM 0 HG22 ILE A 30 -1.987 -36.507 -1.595 1.00 71.23 H new ATOM 0 HG23 ILE A 30 -3.161 -37.659 -0.917 1.00 71.23 H new ATOM 0 HD11 ILE A 30 -0.873 -40.969 0.507 1.00 2.21 H new ATOM 0 HD12 ILE A 30 0.291 -39.830 -0.211 1.00 2.21 H new ATOM 0 HD13 ILE A 30 -1.078 -39.217 0.746 1.00 2.21 H new ATOM 453 N PRO A 31 -1.051 -37.109 -4.781 1.00 22.32 N ATOM 454 CA PRO A 31 -0.113 -36.699 -5.830 1.00 24.32 C ATOM 455 C PRO A 31 1.342 -36.844 -5.395 1.00 70.25 C ATOM 456 O PRO A 31 1.817 -36.110 -4.529 1.00 61.02 O ATOM 457 CB PRO A 31 -0.458 -35.226 -6.059 1.00 11.25 C ATOM 458 CG PRO A 31 -1.060 -34.774 -4.773 1.00 4.32 C ATOM 459 CD PRO A 31 -1.785 -35.966 -4.213 1.00 60.01 C ATOM 0 HA PRO A 31 -0.206 -37.316 -6.724 1.00 24.32 H new ATOM 0 HB2 PRO A 31 0.431 -34.645 -6.306 1.00 11.25 H new ATOM 0 HB3 PRO A 31 -1.157 -35.107 -6.887 1.00 11.25 H new ATOM 0 HG2 PRO A 31 -0.291 -34.426 -4.083 1.00 4.32 H new ATOM 0 HG3 PRO A 31 -1.745 -33.941 -4.934 1.00 4.32 H new ATOM 0 HD2 PRO A 31 -1.762 -35.975 -3.123 1.00 60.01 H new ATOM 0 HD3 PRO A 31 -2.834 -35.974 -4.510 1.00 60.01 H new ATOM 467 N SER A 32 2.044 -37.795 -6.003 1.00 63.12 N ATOM 468 CA SER A 32 3.445 -38.038 -5.676 1.00 75.15 C ATOM 469 C SER A 32 4.363 -37.226 -6.585 1.00 21.24 C ATOM 470 O SER A 32 3.900 -36.435 -7.405 1.00 71.14 O ATOM 471 CB SER A 32 3.769 -39.528 -5.804 1.00 51.24 C ATOM 472 OG SER A 32 4.247 -39.836 -7.102 1.00 51.14 O ATOM 0 H SER A 32 1.666 -38.410 -6.724 1.00 63.12 H new ATOM 0 HA SER A 32 3.612 -37.724 -4.646 1.00 75.15 H new ATOM 0 HB2 SER A 32 4.518 -39.806 -5.062 1.00 51.24 H new ATOM 0 HB3 SER A 32 2.877 -40.117 -5.592 1.00 51.24 H new ATOM 0 HG SER A 32 3.493 -39.881 -7.726 1.00 51.14 H new ATOM 478 N GLU A 33 5.668 -37.429 -6.430 1.00 12.11 N ATOM 479 CA GLU A 33 6.652 -36.715 -7.235 1.00 72.11 C ATOM 480 C GLU A 33 6.978 -37.490 -8.508 1.00 63.25 C ATOM 481 O GLU A 33 6.651 -38.671 -8.630 1.00 43.13 O ATOM 482 CB GLU A 33 7.930 -36.478 -6.427 1.00 74.34 C ATOM 483 CG GLU A 33 7.736 -35.548 -5.242 1.00 24.25 C ATOM 484 CD GLU A 33 7.222 -34.181 -5.650 1.00 23.42 C ATOM 485 OE1 GLU A 33 8.054 -33.307 -5.972 1.00 22.22 O ATOM 486 OE2 GLU A 33 5.989 -33.986 -5.647 1.00 41.42 O ATOM 0 H GLU A 33 6.068 -38.081 -5.755 1.00 12.11 H new ATOM 0 HA GLU A 33 6.225 -35.752 -7.516 1.00 72.11 H new ATOM 0 HB2 GLU A 33 8.306 -37.436 -6.069 1.00 74.34 H new ATOM 0 HB3 GLU A 33 8.693 -36.061 -7.084 1.00 74.34 H new ATOM 0 HG2 GLU A 33 7.035 -36.001 -4.541 1.00 24.25 H new ATOM 0 HG3 GLU A 33 8.684 -35.433 -4.716 1.00 24.25 H new ATOM 493 N ASP A 34 7.624 -36.817 -9.454 1.00 63.32 N ATOM 494 CA ASP A 34 7.996 -37.442 -10.719 1.00 11.34 C ATOM 495 C ASP A 34 9.021 -38.550 -10.497 1.00 13.21 C ATOM 496 O ASP A 34 8.996 -39.577 -11.175 1.00 55.11 O ATOM 497 CB ASP A 34 8.558 -36.396 -11.683 1.00 11.33 C ATOM 498 CG ASP A 34 9.842 -35.770 -11.174 1.00 71.43 C ATOM 499 OD1 ASP A 34 9.786 -34.632 -10.664 1.00 43.53 O ATOM 500 OD2 ASP A 34 10.902 -36.420 -11.286 1.00 23.14 O ATOM 0 H ASP A 34 7.901 -35.839 -9.369 1.00 63.32 H new ATOM 0 HA ASP A 34 7.100 -37.883 -11.156 1.00 11.34 H new ATOM 0 HB2 ASP A 34 8.743 -36.861 -12.651 1.00 11.33 H new ATOM 0 HB3 ASP A 34 7.814 -35.615 -11.841 1.00 11.33 H new ATOM 505 N ASP A 35 9.921 -38.334 -9.545 1.00 3.44 N ATOM 506 CA ASP A 35 10.955 -39.314 -9.233 1.00 42.13 C ATOM 507 C ASP A 35 10.338 -40.610 -8.717 1.00 54.14 C ATOM 508 O ASP A 35 10.966 -41.667 -8.755 1.00 10.21 O ATOM 509 CB ASP A 35 11.927 -38.749 -8.196 1.00 63.51 C ATOM 510 CG ASP A 35 13.309 -38.506 -8.770 1.00 63.31 C ATOM 511 OD1 ASP A 35 13.847 -39.419 -9.431 1.00 74.55 O ATOM 512 OD2 ASP A 35 13.853 -37.402 -8.559 1.00 22.43 O ATOM 0 H ASP A 35 9.956 -37.489 -8.975 1.00 3.44 H new ATOM 0 HA ASP A 35 11.501 -39.533 -10.150 1.00 42.13 H new ATOM 0 HB2 ASP A 35 11.530 -37.813 -7.803 1.00 63.51 H new ATOM 0 HB3 ASP A 35 12.002 -39.441 -7.357 1.00 63.51 H new ATOM 517 N GLY A 36 9.102 -40.520 -8.235 1.00 11.24 N ATOM 518 CA GLY A 36 8.421 -41.692 -7.717 1.00 15.22 C ATOM 519 C GLY A 36 8.091 -41.567 -6.242 1.00 42.15 C ATOM 520 O GLY A 36 7.102 -42.127 -5.769 1.00 71.32 O ATOM 0 H GLY A 36 8.560 -39.657 -8.194 1.00 11.24 H new ATOM 0 HA2 GLY A 36 7.501 -41.852 -8.280 1.00 15.22 H new ATOM 0 HA3 GLY A 36 9.047 -42.571 -7.873 1.00 15.22 H new ATOM 524 N THR A 37 8.923 -40.831 -5.512 1.00 41.20 N ATOM 525 CA THR A 37 8.717 -40.636 -4.082 1.00 62.44 C ATOM 526 C THR A 37 7.514 -39.738 -3.817 1.00 65.12 C ATOM 527 O THR A 37 6.765 -39.401 -4.734 1.00 35.25 O ATOM 528 CB THR A 37 9.961 -40.020 -3.414 1.00 71.24 C ATOM 529 OG1 THR A 37 10.148 -38.676 -3.872 1.00 70.44 O ATOM 530 CG2 THR A 37 11.203 -40.843 -3.720 1.00 62.23 C ATOM 0 H THR A 37 9.746 -40.360 -5.888 1.00 41.20 H new ATOM 0 HA THR A 37 8.533 -41.621 -3.652 1.00 62.44 H new ATOM 0 HB THR A 37 9.803 -40.017 -2.335 1.00 71.24 H new ATOM 0 HG1 THR A 37 11.103 -38.508 -4.012 1.00 70.44 H new ATOM 0 HG21 THR A 37 12.069 -40.389 -3.238 1.00 62.23 H new ATOM 0 HG22 THR A 37 11.069 -41.857 -3.344 1.00 62.23 H new ATOM 0 HG23 THR A 37 11.363 -40.874 -4.798 1.00 62.23 H new ATOM 538 N VAL A 38 7.336 -39.352 -2.558 1.00 30.33 N ATOM 539 CA VAL A 38 6.225 -38.491 -2.172 1.00 54.12 C ATOM 540 C VAL A 38 6.680 -37.408 -1.200 1.00 71.41 C ATOM 541 O VAL A 38 7.266 -37.702 -0.157 1.00 42.42 O ATOM 542 CB VAL A 38 5.085 -39.301 -1.525 1.00 3.50 C ATOM 543 CG1 VAL A 38 4.033 -38.370 -0.943 1.00 14.24 C ATOM 544 CG2 VAL A 38 4.466 -40.252 -2.538 1.00 1.31 C ATOM 0 H VAL A 38 7.947 -39.622 -1.788 1.00 30.33 H new ATOM 0 HA VAL A 38 5.856 -38.023 -3.085 1.00 54.12 H new ATOM 0 HB VAL A 38 5.501 -39.895 -0.711 1.00 3.50 H new ATOM 0 HG11 VAL A 38 3.236 -38.960 -0.490 1.00 14.24 H new ATOM 0 HG12 VAL A 38 4.489 -37.734 -0.185 1.00 14.24 H new ATOM 0 HG13 VAL A 38 3.619 -37.748 -1.736 1.00 14.24 H new ATOM 0 HG21 VAL A 38 3.663 -40.816 -2.064 1.00 1.31 H new ATOM 0 HG22 VAL A 38 4.064 -39.681 -3.375 1.00 1.31 H new ATOM 0 HG23 VAL A 38 5.227 -40.942 -2.902 1.00 1.31 H new ATOM 554 N LEU A 39 6.406 -36.156 -1.548 1.00 2.13 N ATOM 555 CA LEU A 39 6.787 -35.027 -0.705 1.00 61.44 C ATOM 556 C LEU A 39 6.074 -35.088 0.642 1.00 61.33 C ATOM 557 O LEU A 39 4.881 -35.388 0.712 1.00 43.40 O ATOM 558 CB LEU A 39 6.462 -33.708 -1.408 1.00 72.32 C ATOM 559 CG LEU A 39 7.614 -32.710 -1.529 1.00 70.44 C ATOM 560 CD1 LEU A 39 8.163 -32.360 -0.155 1.00 43.33 C ATOM 561 CD2 LEU A 39 8.714 -33.272 -2.418 1.00 43.43 C ATOM 0 H LEU A 39 5.922 -35.896 -2.407 1.00 2.13 H new ATOM 0 HA LEU A 39 7.861 -35.083 -0.529 1.00 61.44 H new ATOM 0 HB2 LEU A 39 6.097 -33.934 -2.410 1.00 72.32 H new ATOM 0 HB3 LEU A 39 5.645 -33.226 -0.872 1.00 72.32 H new ATOM 0 HG LEU A 39 7.233 -31.798 -1.988 1.00 70.44 H new ATOM 0 HD11 LEU A 39 8.982 -31.649 -0.261 1.00 43.33 H new ATOM 0 HD12 LEU A 39 7.373 -31.916 0.450 1.00 43.33 H new ATOM 0 HD13 LEU A 39 8.528 -33.264 0.332 1.00 43.33 H new ATOM 0 HD21 LEU A 39 9.526 -32.549 -2.493 1.00 43.43 H new ATOM 0 HD22 LEU A 39 9.092 -34.199 -1.987 1.00 43.43 H new ATOM 0 HD23 LEU A 39 8.313 -33.471 -3.412 1.00 43.43 H new ATOM 573 N LEU A 40 6.811 -34.801 1.709 1.00 42.12 N ATOM 574 CA LEU A 40 6.249 -34.820 3.055 1.00 61.52 C ATOM 575 C LEU A 40 4.948 -34.027 3.113 1.00 33.11 C ATOM 576 O LEU A 40 3.960 -34.477 3.695 1.00 44.22 O ATOM 577 CB LEU A 40 7.254 -34.249 4.057 1.00 53.54 C ATOM 578 CG LEU A 40 6.920 -34.456 5.534 1.00 22.14 C ATOM 579 CD1 LEU A 40 6.672 -35.928 5.824 1.00 74.32 C ATOM 580 CD2 LEU A 40 8.040 -33.919 6.414 1.00 33.33 C ATOM 0 H LEU A 40 7.799 -34.552 1.668 1.00 42.12 H new ATOM 0 HA LEU A 40 6.033 -35.856 3.317 1.00 61.52 H new ATOM 0 HB2 LEU A 40 8.228 -34.696 3.859 1.00 53.54 H new ATOM 0 HB3 LEU A 40 7.352 -33.179 3.874 1.00 53.54 H new ATOM 0 HG LEU A 40 6.009 -33.903 5.762 1.00 22.14 H new ATOM 0 HD11 LEU A 40 6.436 -36.056 6.880 1.00 74.32 H new ATOM 0 HD12 LEU A 40 5.837 -36.282 5.220 1.00 74.32 H new ATOM 0 HD13 LEU A 40 7.566 -36.502 5.580 1.00 74.32 H new ATOM 0 HD21 LEU A 40 7.785 -34.075 7.462 1.00 33.33 H new ATOM 0 HD22 LEU A 40 8.967 -34.444 6.184 1.00 33.33 H new ATOM 0 HD23 LEU A 40 8.171 -32.853 6.227 1.00 33.33 H new ATOM 592 N SER A 41 4.953 -32.845 2.505 1.00 62.44 N ATOM 593 CA SER A 41 3.774 -31.988 2.488 1.00 35.45 C ATOM 594 C SER A 41 2.549 -32.759 2.006 1.00 74.23 C ATOM 595 O SER A 41 1.432 -32.532 2.474 1.00 44.02 O ATOM 596 CB SER A 41 4.012 -30.773 1.590 1.00 22.21 C ATOM 597 OG SER A 41 4.669 -29.736 2.299 1.00 75.23 O ATOM 0 H SER A 41 5.761 -32.459 2.017 1.00 62.44 H new ATOM 0 HA SER A 41 3.590 -31.646 3.507 1.00 35.45 H new ATOM 0 HB2 SER A 41 4.612 -31.066 0.728 1.00 22.21 H new ATOM 0 HB3 SER A 41 3.059 -30.408 1.206 1.00 22.21 H new ATOM 0 HG SER A 41 4.811 -28.971 1.703 1.00 75.23 H new ATOM 603 N THR A 42 2.765 -33.673 1.065 1.00 62.30 N ATOM 604 CA THR A 42 1.681 -34.478 0.517 1.00 54.33 C ATOM 605 C THR A 42 1.186 -35.500 1.533 1.00 23.34 C ATOM 606 O THR A 42 -0.005 -35.804 1.594 1.00 31.42 O ATOM 607 CB THR A 42 2.119 -35.214 -0.763 1.00 52.25 C ATOM 608 OG1 THR A 42 2.763 -34.300 -1.658 1.00 54.22 O ATOM 609 CG2 THR A 42 0.924 -35.853 -1.456 1.00 5.11 C ATOM 0 H THR A 42 3.682 -33.874 0.666 1.00 62.30 H new ATOM 0 HA THR A 42 0.871 -33.791 0.273 1.00 54.33 H new ATOM 0 HB THR A 42 2.819 -36.001 -0.482 1.00 52.25 H new ATOM 0 HG1 THR A 42 3.040 -34.776 -2.469 1.00 54.22 H new ATOM 0 HG21 THR A 42 1.258 -36.367 -2.357 1.00 5.11 H new ATOM 0 HG22 THR A 42 0.453 -36.570 -0.783 1.00 5.11 H new ATOM 0 HG23 THR A 42 0.203 -35.081 -1.725 1.00 5.11 H new ATOM 617 N VAL A 43 2.109 -36.028 2.332 1.00 71.14 N ATOM 618 CA VAL A 43 1.766 -37.016 3.348 1.00 42.12 C ATOM 619 C VAL A 43 0.940 -36.390 4.466 1.00 72.23 C ATOM 620 O VAL A 43 -0.031 -36.980 4.941 1.00 20.40 O ATOM 621 CB VAL A 43 3.028 -37.658 3.955 1.00 50.14 C ATOM 622 CG1 VAL A 43 2.720 -38.256 5.319 1.00 53.41 C ATOM 623 CG2 VAL A 43 3.592 -38.714 3.016 1.00 40.31 C ATOM 0 H VAL A 43 3.100 -35.788 2.295 1.00 71.14 H new ATOM 0 HA VAL A 43 1.177 -37.788 2.853 1.00 42.12 H new ATOM 0 HB VAL A 43 3.782 -36.882 4.087 1.00 50.14 H new ATOM 0 HG11 VAL A 43 3.623 -38.705 5.732 1.00 53.41 H new ATOM 0 HG12 VAL A 43 2.366 -37.472 5.988 1.00 53.41 H new ATOM 0 HG13 VAL A 43 1.950 -39.020 5.216 1.00 53.41 H new ATOM 0 HG21 VAL A 43 4.483 -39.157 3.460 1.00 40.31 H new ATOM 0 HG22 VAL A 43 2.845 -39.490 2.850 1.00 40.31 H new ATOM 0 HG23 VAL A 43 3.853 -38.252 2.064 1.00 40.31 H new ATOM 633 N THR A 44 1.331 -35.190 4.882 1.00 13.25 N ATOM 634 CA THR A 44 0.627 -34.483 5.945 1.00 31.23 C ATOM 635 C THR A 44 -0.753 -34.030 5.484 1.00 75.01 C ATOM 636 O THR A 44 -1.671 -33.886 6.291 1.00 55.44 O ATOM 637 CB THR A 44 1.423 -33.256 6.427 1.00 43.21 C ATOM 638 OG1 THR A 44 1.383 -32.225 5.433 1.00 25.34 O ATOM 639 CG2 THR A 44 2.869 -33.629 6.720 1.00 75.32 C ATOM 0 H THR A 44 2.131 -34.687 4.499 1.00 13.25 H new ATOM 0 HA THR A 44 0.519 -35.184 6.772 1.00 31.23 H new ATOM 0 HB THR A 44 0.965 -32.892 7.347 1.00 43.21 H new ATOM 0 HG1 THR A 44 1.415 -32.629 4.541 1.00 25.34 H new ATOM 0 HG21 THR A 44 3.411 -32.746 7.059 1.00 75.32 H new ATOM 0 HG22 THR A 44 2.897 -34.393 7.497 1.00 75.32 H new ATOM 0 HG23 THR A 44 3.336 -34.016 5.814 1.00 75.32 H new ATOM 647 N ALA A 45 -0.893 -33.808 4.181 1.00 15.21 N ATOM 648 CA ALA A 45 -2.163 -33.374 3.612 1.00 13.33 C ATOM 649 C ALA A 45 -3.312 -34.250 4.101 1.00 1.52 C ATOM 650 O ALA A 45 -4.347 -33.745 4.535 1.00 72.01 O ATOM 651 CB ALA A 45 -2.094 -33.391 2.092 1.00 12.55 C ATOM 0 H ALA A 45 -0.142 -33.922 3.500 1.00 15.21 H new ATOM 0 HA ALA A 45 -2.352 -32.353 3.945 1.00 13.33 H new ATOM 0 HB1 ALA A 45 -3.049 -33.065 1.681 1.00 12.55 H new ATOM 0 HB2 ALA A 45 -1.305 -32.718 1.756 1.00 12.55 H new ATOM 0 HB3 ALA A 45 -1.878 -34.403 1.749 1.00 12.55 H new ATOM 657 N GLN A 46 -3.121 -35.563 4.027 1.00 14.24 N ATOM 658 CA GLN A 46 -4.143 -36.508 4.462 1.00 72.05 C ATOM 659 C GLN A 46 -3.774 -37.130 5.804 1.00 20.31 C ATOM 660 O GLN A 46 -4.642 -37.402 6.634 1.00 51.02 O ATOM 661 CB GLN A 46 -4.332 -37.605 3.412 1.00 31.03 C ATOM 662 CG GLN A 46 -4.079 -37.135 1.989 1.00 72.42 C ATOM 663 CD GLN A 46 -4.246 -38.245 0.970 1.00 75.23 C ATOM 664 OE1 GLN A 46 -4.896 -38.065 -0.061 1.00 0.23 O ATOM 665 NE2 GLN A 46 -3.660 -39.402 1.252 1.00 24.35 N ATOM 0 H GLN A 46 -2.269 -35.996 3.670 1.00 14.24 H new ATOM 0 HA GLN A 46 -5.079 -35.963 4.581 1.00 72.05 H new ATOM 0 HB2 GLN A 46 -3.659 -38.432 3.638 1.00 31.03 H new ATOM 0 HB3 GLN A 46 -5.348 -37.993 3.482 1.00 31.03 H new ATOM 0 HG2 GLN A 46 -4.765 -36.322 1.751 1.00 72.42 H new ATOM 0 HG3 GLN A 46 -3.069 -36.731 1.918 1.00 72.42 H new ATOM 0 HE21 GLN A 46 -3.131 -39.508 2.118 1.00 24.35 H new ATOM 0 HE22 GLN A 46 -3.739 -40.185 0.603 1.00 24.35 H new ATOM 674 N PHE A 47 -2.481 -37.354 6.011 1.00 5.12 N ATOM 675 CA PHE A 47 -1.996 -37.946 7.253 1.00 52.40 C ATOM 676 C PHE A 47 -1.141 -36.951 8.032 1.00 14.34 C ATOM 677 O PHE A 47 0.087 -37.026 8.046 1.00 64.21 O ATOM 678 CB PHE A 47 -1.186 -39.210 6.958 1.00 34.04 C ATOM 679 CG PHE A 47 -1.700 -39.990 5.782 1.00 31.43 C ATOM 680 CD1 PHE A 47 -0.840 -40.397 4.775 1.00 72.20 C ATOM 681 CD2 PHE A 47 -3.043 -40.317 5.684 1.00 12.20 C ATOM 682 CE1 PHE A 47 -1.310 -41.116 3.692 1.00 44.24 C ATOM 683 CE2 PHE A 47 -3.518 -41.036 4.603 1.00 11.53 C ATOM 684 CZ PHE A 47 -2.651 -41.434 3.605 1.00 24.53 C ATOM 0 H PHE A 47 -1.750 -37.135 5.335 1.00 5.12 H new ATOM 0 HA PHE A 47 -2.860 -38.211 7.862 1.00 52.40 H new ATOM 0 HB2 PHE A 47 -0.148 -38.932 6.774 1.00 34.04 H new ATOM 0 HB3 PHE A 47 -1.193 -39.851 7.840 1.00 34.04 H new ATOM 0 HD1 PHE A 47 0.209 -40.150 4.837 1.00 72.20 H new ATOM 0 HD2 PHE A 47 -3.726 -40.007 6.461 1.00 12.20 H new ATOM 0 HE1 PHE A 47 -0.629 -41.429 2.914 1.00 44.24 H new ATOM 0 HE2 PHE A 47 -4.567 -41.286 4.539 1.00 11.53 H new ATOM 0 HZ PHE A 47 -3.021 -41.993 2.758 1.00 24.53 H new ATOM 694 N PRO A 48 -1.806 -35.994 8.698 1.00 60.15 N ATOM 695 CA PRO A 48 -1.128 -34.965 9.492 1.00 70.32 C ATOM 696 C PRO A 48 -0.488 -35.535 10.753 1.00 13.23 C ATOM 697 O PRO A 48 -1.135 -36.243 11.524 1.00 52.22 O ATOM 698 CB PRO A 48 -2.256 -33.997 9.855 1.00 53.31 C ATOM 699 CG PRO A 48 -3.495 -34.823 9.807 1.00 20.12 C ATOM 700 CD PRO A 48 -3.271 -35.844 8.726 1.00 44.41 C ATOM 0 HA PRO A 48 -0.309 -34.500 8.943 1.00 70.32 H new ATOM 0 HB2 PRO A 48 -2.105 -33.567 10.845 1.00 53.31 H new ATOM 0 HB3 PRO A 48 -2.307 -33.166 9.151 1.00 53.31 H new ATOM 0 HG2 PRO A 48 -3.680 -35.305 10.767 1.00 20.12 H new ATOM 0 HG3 PRO A 48 -4.367 -34.207 9.587 1.00 20.12 H new ATOM 0 HD2 PRO A 48 -3.767 -36.787 8.955 1.00 44.41 H new ATOM 0 HD3 PRO A 48 -3.659 -35.504 7.766 1.00 44.41 H new ATOM 708 N GLY A 49 0.787 -35.220 10.958 1.00 23.35 N ATOM 709 CA GLY A 49 1.493 -35.709 12.129 1.00 71.14 C ATOM 710 C GLY A 49 2.222 -37.011 11.864 1.00 62.41 C ATOM 711 O GLY A 49 3.243 -37.297 12.489 1.00 34.34 O ATOM 0 H GLY A 49 1.344 -34.635 10.335 1.00 23.35 H new ATOM 0 HA2 GLY A 49 2.209 -34.956 12.459 1.00 71.14 H new ATOM 0 HA3 GLY A 49 0.783 -35.853 12.944 1.00 71.14 H new ATOM 715 N ALA A 50 1.697 -37.804 10.935 1.00 12.23 N ATOM 716 CA ALA A 50 2.305 -39.083 10.589 1.00 12.52 C ATOM 717 C ALA A 50 3.789 -38.919 10.281 1.00 62.11 C ATOM 718 O ALA A 50 4.161 -38.405 9.225 1.00 74.31 O ATOM 719 CB ALA A 50 1.583 -39.706 9.404 1.00 61.50 C ATOM 0 H ALA A 50 0.852 -37.583 10.409 1.00 12.23 H new ATOM 0 HA ALA A 50 2.211 -39.747 11.448 1.00 12.52 H new ATOM 0 HB1 ALA A 50 2.047 -40.661 9.156 1.00 61.50 H new ATOM 0 HB2 ALA A 50 0.536 -39.867 9.660 1.00 61.50 H new ATOM 0 HB3 ALA A 50 1.648 -39.037 8.546 1.00 61.50 H new ATOM 725 N CYS A 51 4.633 -39.358 11.208 1.00 31.11 N ATOM 726 CA CYS A 51 6.078 -39.259 11.035 1.00 11.15 C ATOM 727 C CYS A 51 6.580 -40.304 10.045 1.00 62.03 C ATOM 728 O CYS A 51 7.530 -40.063 9.301 1.00 72.05 O ATOM 729 CB CYS A 51 6.786 -39.431 12.380 1.00 21.30 C ATOM 730 SG CYS A 51 7.699 -37.969 12.926 1.00 21.32 S ATOM 0 H CYS A 51 4.342 -39.786 12.087 1.00 31.11 H new ATOM 0 HA CYS A 51 6.305 -38.270 10.637 1.00 11.15 H new ATOM 0 HB2 CYS A 51 6.046 -39.688 13.138 1.00 21.30 H new ATOM 0 HB3 CYS A 51 7.476 -40.272 12.310 1.00 21.30 H new ATOM 0 HG CYS A 51 8.261 -38.212 14.073 1.00 21.32 H new ATOM 736 N GLY A 52 5.936 -41.467 10.042 1.00 25.53 N ATOM 737 CA GLY A 52 6.333 -42.533 9.140 1.00 3.14 C ATOM 738 C GLY A 52 5.178 -43.444 8.776 1.00 40.05 C ATOM 739 O GLY A 52 4.245 -43.621 9.560 1.00 11.50 O ATOM 0 H GLY A 52 5.146 -41.690 10.648 1.00 25.53 H new ATOM 0 HA2 GLY A 52 6.750 -42.099 8.231 1.00 3.14 H new ATOM 0 HA3 GLY A 52 7.124 -43.122 9.604 1.00 3.14 H new ATOM 743 N LEU A 53 5.238 -44.023 7.582 1.00 71.15 N ATOM 744 CA LEU A 53 4.187 -44.920 7.113 1.00 63.23 C ATOM 745 C LEU A 53 4.720 -46.339 6.941 1.00 34.31 C ATOM 746 O LEU A 53 5.861 -46.539 6.524 1.00 14.31 O ATOM 747 CB LEU A 53 3.612 -44.415 5.788 1.00 32.54 C ATOM 748 CG LEU A 53 3.274 -42.925 5.728 1.00 71.41 C ATOM 749 CD1 LEU A 53 2.704 -42.453 7.056 1.00 10.03 C ATOM 750 CD2 LEU A 53 4.506 -42.114 5.355 1.00 10.21 C ATOM 0 H LEU A 53 6.003 -43.888 6.921 1.00 71.15 H new ATOM 0 HA LEU A 53 3.396 -44.937 7.863 1.00 63.23 H new ATOM 0 HB2 LEU A 53 4.327 -44.637 4.996 1.00 32.54 H new ATOM 0 HB3 LEU A 53 2.707 -44.982 5.568 1.00 32.54 H new ATOM 0 HG LEU A 53 2.517 -42.774 4.958 1.00 71.41 H new ATOM 0 HD11 LEU A 53 2.470 -41.390 6.994 1.00 10.03 H new ATOM 0 HD12 LEU A 53 1.796 -43.012 7.282 1.00 10.03 H new ATOM 0 HD13 LEU A 53 3.437 -42.617 7.846 1.00 10.03 H new ATOM 0 HD21 LEU A 53 4.247 -41.056 5.317 1.00 10.21 H new ATOM 0 HD22 LEU A 53 5.284 -42.271 6.102 1.00 10.21 H new ATOM 0 HD23 LEU A 53 4.870 -42.434 4.379 1.00 10.21 H new ATOM 762 N ARG A 54 3.885 -47.322 7.263 1.00 13.14 N ATOM 763 CA ARG A 54 4.271 -48.723 7.144 1.00 51.41 C ATOM 764 C ARG A 54 3.587 -49.375 5.946 1.00 42.23 C ATOM 765 O ARG A 54 2.674 -48.801 5.351 1.00 65.12 O ATOM 766 CB ARG A 54 3.916 -49.483 8.423 1.00 11.42 C ATOM 767 CG ARG A 54 5.000 -50.444 8.881 1.00 60.40 C ATOM 768 CD ARG A 54 5.858 -49.835 9.979 1.00 33.31 C ATOM 769 NE ARG A 54 7.032 -49.154 9.442 1.00 43.24 N ATOM 770 CZ ARG A 54 8.117 -48.882 10.159 1.00 33.01 C ATOM 771 NH1 ARG A 54 8.175 -49.233 11.436 1.00 5.54 N ATOM 772 NH2 ARG A 54 9.145 -48.259 9.599 1.00 44.22 N ATOM 0 H ARG A 54 2.937 -47.174 7.608 1.00 13.14 H new ATOM 0 HA ARG A 54 5.350 -48.765 6.993 1.00 51.41 H new ATOM 0 HB2 ARG A 54 3.719 -48.765 9.219 1.00 11.42 H new ATOM 0 HB3 ARG A 54 2.993 -50.040 8.260 1.00 11.42 H new ATOM 0 HG2 ARG A 54 4.542 -51.364 9.244 1.00 60.40 H new ATOM 0 HG3 ARG A 54 5.630 -50.714 8.033 1.00 60.40 H new ATOM 0 HD2 ARG A 54 5.261 -49.128 10.555 1.00 33.31 H new ATOM 0 HD3 ARG A 54 6.176 -50.618 10.667 1.00 33.31 H new ATOM 0 HE ARG A 54 7.019 -48.871 8.462 1.00 43.24 H new ATOM 0 HH11 ARG A 54 7.386 -49.713 11.869 1.00 5.54 H new ATOM 0 HH12 ARG A 54 9.009 -49.024 11.985 1.00 5.54 H new ATOM 0 HH21 ARG A 54 9.103 -47.988 8.617 1.00 44.22 H new ATOM 0 HH22 ARG A 54 9.977 -48.051 10.151 1.00 44.22 H new ATOM 786 N TYR A 55 4.035 -50.576 5.597 1.00 1.32 N ATOM 787 CA TYR A 55 3.469 -51.305 4.468 1.00 12.35 C ATOM 788 C TYR A 55 2.578 -52.447 4.949 1.00 44.51 C ATOM 789 O TYR A 55 2.993 -53.271 5.764 1.00 14.21 O ATOM 790 CB TYR A 55 4.584 -51.853 3.577 1.00 24.33 C ATOM 791 CG TYR A 55 4.598 -51.257 2.188 1.00 71.22 C ATOM 792 CD1 TYR A 55 3.500 -51.385 1.345 1.00 1.45 C ATOM 793 CD2 TYR A 55 5.708 -50.568 1.717 1.00 42.41 C ATOM 794 CE1 TYR A 55 3.508 -50.842 0.075 1.00 70.31 C ATOM 795 CE2 TYR A 55 5.724 -50.021 0.448 1.00 3.35 C ATOM 796 CZ TYR A 55 4.622 -50.161 -0.369 1.00 1.12 C ATOM 797 OH TYR A 55 4.635 -49.619 -1.634 1.00 12.25 O ATOM 0 H TYR A 55 4.789 -51.065 6.080 1.00 1.32 H new ATOM 0 HA TYR A 55 2.859 -50.612 3.889 1.00 12.35 H new ATOM 0 HB2 TYR A 55 5.545 -51.663 4.054 1.00 24.33 H new ATOM 0 HB3 TYR A 55 4.476 -52.935 3.498 1.00 24.33 H new ATOM 0 HD1 TYR A 55 2.626 -51.918 1.689 1.00 1.45 H new ATOM 0 HD2 TYR A 55 6.574 -50.458 2.353 1.00 42.41 H new ATOM 0 HE1 TYR A 55 2.646 -50.950 -0.567 1.00 70.31 H new ATOM 0 HE2 TYR A 55 6.595 -49.487 0.098 1.00 3.35 H new ATOM 0 HH TYR A 55 3.718 -49.562 -1.975 1.00 12.25 H new ATOM 807 N ARG A 56 1.353 -52.488 4.437 1.00 73.03 N ATOM 808 CA ARG A 56 0.402 -53.528 4.813 1.00 43.42 C ATOM 809 C ARG A 56 -0.198 -54.189 3.576 1.00 63.14 C ATOM 810 O ARG A 56 -1.145 -53.675 2.983 1.00 74.11 O ATOM 811 CB ARG A 56 -0.712 -52.940 5.681 1.00 3.01 C ATOM 812 CG ARG A 56 -1.925 -53.846 5.810 1.00 14.10 C ATOM 813 CD ARG A 56 -1.536 -55.233 6.297 1.00 10.21 C ATOM 814 NE ARG A 56 -2.688 -56.127 6.382 1.00 40.42 N ATOM 815 CZ ARG A 56 -2.652 -57.319 6.966 1.00 3.13 C ATOM 816 NH1 ARG A 56 -1.527 -57.758 7.515 1.00 53.10 N ATOM 817 NH2 ARG A 56 -3.742 -58.075 7.003 1.00 2.52 N ATOM 0 H ARG A 56 0.995 -51.814 3.761 1.00 73.03 H new ATOM 0 HA ARG A 56 0.938 -54.286 5.385 1.00 43.42 H new ATOM 0 HB2 ARG A 56 -0.316 -52.734 6.675 1.00 3.01 H new ATOM 0 HB3 ARG A 56 -1.025 -51.985 5.258 1.00 3.01 H new ATOM 0 HG2 ARG A 56 -2.639 -53.403 6.504 1.00 14.10 H new ATOM 0 HG3 ARG A 56 -2.425 -53.925 4.845 1.00 14.10 H new ATOM 0 HD2 ARG A 56 -0.795 -55.660 5.621 1.00 10.21 H new ATOM 0 HD3 ARG A 56 -1.065 -55.154 7.277 1.00 10.21 H new ATOM 0 HE ARG A 56 -3.569 -55.819 5.970 1.00 40.42 H new ATOM 0 HH11 ARG A 56 -0.687 -57.180 7.489 1.00 53.10 H new ATOM 0 HH12 ARG A 56 -1.502 -58.674 7.963 1.00 53.10 H new ATOM 0 HH21 ARG A 56 -4.609 -57.741 6.582 1.00 2.52 H new ATOM 0 HH22 ARG A 56 -3.713 -58.990 7.452 1.00 2.52 H new ATOM 831 N ASN A 57 0.362 -55.332 3.192 1.00 51.24 N ATOM 832 CA ASN A 57 -0.117 -56.063 2.024 1.00 31.13 C ATOM 833 C ASN A 57 -0.785 -57.371 2.438 1.00 24.20 C ATOM 834 O ASN A 57 -0.144 -58.289 2.951 1.00 42.11 O ATOM 835 CB ASN A 57 1.040 -56.349 1.065 1.00 24.24 C ATOM 836 CG ASN A 57 1.392 -55.148 0.209 1.00 21.11 C ATOM 837 OD1 ASN A 57 2.083 -54.233 0.658 1.00 55.24 O ATOM 838 ND2 ASN A 57 0.917 -55.146 -1.031 1.00 31.30 N ATOM 0 H ASN A 57 1.147 -55.772 3.672 1.00 51.24 H new ATOM 0 HA ASN A 57 -0.856 -55.443 1.516 1.00 31.13 H new ATOM 0 HB2 ASN A 57 1.916 -56.653 1.638 1.00 24.24 H new ATOM 0 HB3 ASN A 57 0.775 -57.186 0.420 1.00 24.24 H new ATOM 0 HD21 ASN A 57 1.121 -54.364 -1.654 1.00 31.30 H new ATOM 0 HD22 ASN A 57 0.348 -55.926 -1.361 1.00 31.30 H new ATOM 962 N VAL A 66 7.360 -48.305 3.952 1.00 13.11 N ATOM 963 CA VAL A 66 7.622 -47.113 3.155 1.00 53.40 C ATOM 964 C VAL A 66 8.833 -46.353 3.684 1.00 13.33 C ATOM 965 O VAL A 66 8.811 -45.828 4.798 1.00 51.12 O ATOM 966 CB VAL A 66 6.404 -46.169 3.139 1.00 22.32 C ATOM 967 CG1 VAL A 66 6.739 -44.878 2.409 1.00 52.41 C ATOM 968 CG2 VAL A 66 5.206 -46.857 2.502 1.00 43.12 C ATOM 0 HA VAL A 66 7.824 -47.451 2.138 1.00 53.40 H new ATOM 0 HB VAL A 66 6.145 -45.919 4.168 1.00 22.32 H new ATOM 0 HG11 VAL A 66 5.867 -44.224 2.408 1.00 52.41 H new ATOM 0 HG12 VAL A 66 7.566 -44.379 2.913 1.00 52.41 H new ATOM 0 HG13 VAL A 66 7.024 -45.104 1.382 1.00 52.41 H new ATOM 0 HG21 VAL A 66 4.355 -46.176 2.499 1.00 43.12 H new ATOM 0 HG22 VAL A 66 5.450 -47.138 1.477 1.00 43.12 H new ATOM 0 HG23 VAL A 66 4.954 -47.751 3.073 1.00 43.12 H new ATOM 978 N ARG A 67 9.888 -46.297 2.879 1.00 62.43 N ATOM 979 CA ARG A 67 11.110 -45.602 3.266 1.00 34.02 C ATOM 980 C ARG A 67 10.871 -44.098 3.363 1.00 4.04 C ATOM 981 O ARG A 67 10.152 -43.519 2.548 1.00 1.55 O ATOM 982 CB ARG A 67 12.226 -45.888 2.260 1.00 30.42 C ATOM 983 CG ARG A 67 13.500 -45.102 2.524 1.00 53.14 C ATOM 984 CD ARG A 67 14.147 -45.514 3.836 1.00 2.35 C ATOM 985 NE ARG A 67 14.759 -44.380 4.524 1.00 12.24 N ATOM 986 CZ ARG A 67 15.580 -44.505 5.561 1.00 32.11 C ATOM 987 NH1 ARG A 67 15.886 -45.708 6.027 1.00 62.12 N ATOM 988 NH2 ARG A 67 16.097 -43.425 6.134 1.00 74.51 N ATOM 0 H ARG A 67 9.922 -46.725 1.954 1.00 62.43 H new ATOM 0 HA ARG A 67 11.412 -45.969 4.247 1.00 34.02 H new ATOM 0 HB2 ARG A 67 12.456 -46.953 2.278 1.00 30.42 H new ATOM 0 HB3 ARG A 67 11.868 -45.657 1.257 1.00 30.42 H new ATOM 0 HG2 ARG A 67 14.202 -45.260 1.705 1.00 53.14 H new ATOM 0 HG3 ARG A 67 13.273 -44.036 2.548 1.00 53.14 H new ATOM 0 HD2 ARG A 67 13.397 -45.969 4.483 1.00 2.35 H new ATOM 0 HD3 ARG A 67 14.905 -46.273 3.644 1.00 2.35 H new ATOM 0 HE ARG A 67 14.544 -43.441 4.190 1.00 12.24 H new ATOM 0 HH11 ARG A 67 15.491 -46.540 5.589 1.00 62.12 H new ATOM 0 HH12 ARG A 67 16.517 -45.801 6.823 1.00 62.12 H new ATOM 0 HH21 ARG A 67 15.864 -42.498 5.778 1.00 74.51 H new ATOM 0 HH22 ARG A 67 16.727 -43.522 6.930 1.00 74.51 H new ATOM 1002 N LEU A 68 11.479 -43.472 4.365 1.00 41.41 N ATOM 1003 CA LEU A 68 11.333 -42.035 4.570 1.00 41.45 C ATOM 1004 C LEU A 68 12.695 -41.367 4.736 1.00 74.24 C ATOM 1005 O LEU A 68 13.456 -41.703 5.643 1.00 12.21 O ATOM 1006 CB LEU A 68 10.465 -41.760 5.798 1.00 35.14 C ATOM 1007 CG LEU A 68 10.326 -40.294 6.208 1.00 13.52 C ATOM 1008 CD1 LEU A 68 11.498 -39.869 7.079 1.00 32.44 C ATOM 1009 CD2 LEU A 68 10.224 -39.403 4.978 1.00 35.51 C ATOM 0 H LEU A 68 12.077 -43.937 5.048 1.00 41.41 H new ATOM 0 HA LEU A 68 10.848 -41.615 3.689 1.00 41.45 H new ATOM 0 HB2 LEU A 68 9.468 -42.160 5.610 1.00 35.14 H new ATOM 0 HB3 LEU A 68 10.877 -42.314 6.641 1.00 35.14 H new ATOM 0 HG LEU A 68 9.410 -40.185 6.789 1.00 13.52 H new ATOM 0 HD11 LEU A 68 11.381 -38.823 7.361 1.00 32.44 H new ATOM 0 HD12 LEU A 68 11.526 -40.486 7.977 1.00 32.44 H new ATOM 0 HD13 LEU A 68 12.428 -39.994 6.524 1.00 32.44 H new ATOM 0 HD21 LEU A 68 10.126 -38.363 5.289 1.00 35.51 H new ATOM 0 HD22 LEU A 68 11.122 -39.517 4.371 1.00 35.51 H new ATOM 0 HD23 LEU A 68 9.351 -39.690 4.392 1.00 35.51 H new ATOM 1021 N VAL A 69 12.994 -40.418 3.854 1.00 23.42 N ATOM 1022 CA VAL A 69 14.263 -39.701 3.905 1.00 54.21 C ATOM 1023 C VAL A 69 14.067 -38.217 3.613 1.00 33.40 C ATOM 1024 O VAL A 69 13.533 -37.846 2.568 1.00 1.13 O ATOM 1025 CB VAL A 69 15.276 -40.281 2.901 1.00 42.14 C ATOM 1026 CG1 VAL A 69 14.657 -40.384 1.515 1.00 15.43 C ATOM 1027 CG2 VAL A 69 16.538 -39.432 2.868 1.00 61.24 C ATOM 0 H VAL A 69 12.375 -40.128 3.096 1.00 23.42 H new ATOM 0 HA VAL A 69 14.655 -39.821 4.915 1.00 54.21 H new ATOM 0 HB VAL A 69 15.548 -41.285 3.226 1.00 42.14 H new ATOM 0 HG11 VAL A 69 15.388 -40.796 0.820 1.00 15.43 H new ATOM 0 HG12 VAL A 69 13.785 -41.037 1.554 1.00 15.43 H new ATOM 0 HG13 VAL A 69 14.354 -39.393 1.177 1.00 15.43 H new ATOM 0 HG21 VAL A 69 17.243 -39.856 2.153 1.00 61.24 H new ATOM 0 HG22 VAL A 69 16.285 -38.415 2.568 1.00 61.24 H new ATOM 0 HG23 VAL A 69 16.991 -39.416 3.859 1.00 61.24 H new ATOM 1037 N GLU A 70 14.503 -37.374 4.544 1.00 73.14 N ATOM 1038 CA GLU A 70 14.375 -35.930 4.386 1.00 74.25 C ATOM 1039 C GLU A 70 12.909 -35.524 4.267 1.00 55.22 C ATOM 1040 O GLU A 70 12.582 -34.511 3.649 1.00 33.32 O ATOM 1041 CB GLU A 70 15.147 -35.459 3.152 1.00 62.44 C ATOM 1042 CG GLU A 70 16.582 -35.957 3.105 1.00 21.23 C ATOM 1043 CD GLU A 70 17.592 -34.826 3.092 1.00 31.03 C ATOM 1044 OE1 GLU A 70 17.497 -33.958 2.200 1.00 45.44 O ATOM 1045 OE2 GLU A 70 18.476 -34.809 3.974 1.00 61.13 O ATOM 0 H GLU A 70 14.947 -37.666 5.414 1.00 73.14 H new ATOM 0 HA GLU A 70 14.796 -35.455 5.272 1.00 74.25 H new ATOM 0 HB2 GLU A 70 14.625 -35.796 2.257 1.00 62.44 H new ATOM 0 HB3 GLU A 70 15.149 -34.369 3.129 1.00 62.44 H new ATOM 0 HG2 GLU A 70 16.769 -36.596 3.968 1.00 21.23 H new ATOM 0 HG3 GLU A 70 16.720 -36.573 2.216 1.00 21.23 H new ATOM 1052 N GLY A 71 12.029 -36.323 4.863 1.00 13.34 N ATOM 1053 CA GLY A 71 10.608 -36.031 4.813 1.00 41.23 C ATOM 1054 C GLY A 71 9.931 -36.652 3.607 1.00 43.21 C ATOM 1055 O GLY A 71 8.732 -36.931 3.635 1.00 23.03 O ATOM 0 H GLY A 71 12.275 -37.167 5.380 1.00 13.34 H new ATOM 0 HA2 GLY A 71 10.132 -36.399 5.722 1.00 41.23 H new ATOM 0 HA3 GLY A 71 10.463 -34.951 4.791 1.00 41.23 H new ATOM 1059 N ILE A 72 10.700 -36.867 2.545 1.00 51.14 N ATOM 1060 CA ILE A 72 10.167 -37.458 1.324 1.00 74.14 C ATOM 1061 C ILE A 72 10.018 -38.969 1.464 1.00 60.21 C ATOM 1062 O ILE A 72 10.994 -39.680 1.706 1.00 22.33 O ATOM 1063 CB ILE A 72 11.065 -37.152 0.111 1.00 63.31 C ATOM 1064 CG1 ILE A 72 11.193 -35.641 -0.089 1.00 11.44 C ATOM 1065 CG2 ILE A 72 10.508 -37.812 -1.141 1.00 73.14 C ATOM 1066 CD1 ILE A 72 12.611 -35.131 0.046 1.00 53.10 C ATOM 0 H ILE A 72 11.694 -36.641 2.506 1.00 51.14 H new ATOM 0 HA ILE A 72 9.186 -37.012 1.160 1.00 74.14 H new ATOM 0 HB ILE A 72 12.058 -37.559 0.302 1.00 63.31 H new ATOM 0 HG12 ILE A 72 10.814 -35.380 -1.077 1.00 11.44 H new ATOM 0 HG13 ILE A 72 10.562 -35.132 0.639 1.00 11.44 H new ATOM 0 HG21 ILE A 72 11.154 -37.586 -1.989 1.00 73.14 H new ATOM 0 HG22 ILE A 72 10.465 -38.891 -0.995 1.00 73.14 H new ATOM 0 HG23 ILE A 72 9.505 -37.432 -1.337 1.00 73.14 H new ATOM 0 HD11 ILE A 72 12.626 -34.052 -0.108 1.00 53.10 H new ATOM 0 HD12 ILE A 72 12.987 -35.360 1.043 1.00 53.10 H new ATOM 0 HD13 ILE A 72 13.243 -35.613 -0.700 1.00 53.10 H new ATOM 1078 N LEU A 73 8.791 -39.454 1.308 1.00 22.43 N ATOM 1079 CA LEU A 73 8.514 -40.883 1.416 1.00 50.45 C ATOM 1080 C LEU A 73 8.909 -41.612 0.135 1.00 14.51 C ATOM 1081 O LEU A 73 8.226 -41.511 -0.885 1.00 35.13 O ATOM 1082 CB LEU A 73 7.031 -41.114 1.711 1.00 10.50 C ATOM 1083 CG LEU A 73 6.576 -40.812 3.140 1.00 64.44 C ATOM 1084 CD1 LEU A 73 7.384 -41.625 4.139 1.00 24.23 C ATOM 1085 CD2 LEU A 73 6.699 -39.325 3.436 1.00 51.21 C ATOM 0 H LEU A 73 7.972 -38.880 1.106 1.00 22.43 H new ATOM 0 HA LEU A 73 9.108 -41.283 2.238 1.00 50.45 H new ATOM 0 HB2 LEU A 73 6.445 -40.500 1.027 1.00 10.50 H new ATOM 0 HB3 LEU A 73 6.794 -42.154 1.488 1.00 10.50 H new ATOM 0 HG LEU A 73 5.528 -41.095 3.235 1.00 64.44 H new ATOM 0 HD11 LEU A 73 7.047 -41.398 5.150 1.00 24.23 H new ATOM 0 HD12 LEU A 73 7.245 -42.688 3.940 1.00 24.23 H new ATOM 0 HD13 LEU A 73 8.440 -41.373 4.043 1.00 24.23 H new ATOM 0 HD21 LEU A 73 6.371 -39.129 4.457 1.00 51.21 H new ATOM 0 HD22 LEU A 73 7.738 -39.016 3.323 1.00 51.21 H new ATOM 0 HD23 LEU A 73 6.076 -38.763 2.740 1.00 51.21 H new ATOM 1097 N HIS A 74 10.014 -42.347 0.196 1.00 60.33 N ATOM 1098 CA HIS A 74 10.498 -43.096 -0.959 1.00 22.14 C ATOM 1099 C HIS A 74 9.695 -44.379 -1.150 1.00 31.02 C ATOM 1100 O HIS A 74 9.215 -44.972 -0.184 1.00 63.12 O ATOM 1101 CB HIS A 74 11.981 -43.429 -0.791 1.00 60.35 C ATOM 1102 CG HIS A 74 12.811 -43.083 -1.989 1.00 63.51 C ATOM 1103 ND1 HIS A 74 12.573 -43.601 -3.245 1.00 10.11 N ATOM 1104 CD2 HIS A 74 13.882 -42.265 -2.118 1.00 32.31 C ATOM 1105 CE1 HIS A 74 13.462 -43.117 -4.094 1.00 21.31 C ATOM 1106 NE2 HIS A 74 14.268 -42.304 -3.435 1.00 53.22 N ATOM 0 H HIS A 74 10.591 -42.440 1.032 1.00 60.33 H new ATOM 0 HA HIS A 74 10.370 -42.474 -1.845 1.00 22.14 H new ATOM 0 HB2 HIS A 74 12.369 -42.895 0.076 1.00 60.35 H new ATOM 0 HB3 HIS A 74 12.085 -44.494 -0.582 1.00 60.35 H new ATOM 0 HD2 HIS A 74 14.346 -41.689 -1.331 1.00 32.31 H new ATOM 0 HE1 HIS A 74 13.520 -43.347 -5.148 1.00 21.31 H new ATOM 0 HE2 HIS A 74 15.050 -41.789 -3.839 1.00 53.22 H new ATOM 1114 N ALA A 75 9.552 -44.801 -2.402 1.00 11.20 N ATOM 1115 CA ALA A 75 8.808 -46.013 -2.719 1.00 71.53 C ATOM 1116 C ALA A 75 9.747 -47.200 -2.910 1.00 1.34 C ATOM 1117 O ALA A 75 10.931 -47.043 -3.210 1.00 73.31 O ATOM 1118 CB ALA A 75 7.962 -45.802 -3.966 1.00 72.51 C ATOM 0 H ALA A 75 9.942 -44.321 -3.213 1.00 11.20 H new ATOM 0 HA ALA A 75 8.150 -46.235 -1.879 1.00 71.53 H new ATOM 0 HB1 ALA A 75 7.412 -46.716 -4.191 1.00 72.51 H new ATOM 0 HB2 ALA A 75 7.258 -44.987 -3.795 1.00 72.51 H new ATOM 0 HB3 ALA A 75 8.609 -45.552 -4.807 1.00 72.51 H new ATOM 1124 N PRO A 76 9.210 -48.416 -2.730 1.00 52.53 N ATOM 1125 CA PRO A 76 9.983 -49.652 -2.877 1.00 61.20 C ATOM 1126 C PRO A 76 10.366 -49.928 -4.327 1.00 42.30 C ATOM 1127 O PRO A 76 10.136 -49.099 -5.208 1.00 75.31 O ATOM 1128 CB PRO A 76 9.027 -50.731 -2.362 1.00 63.42 C ATOM 1129 CG PRO A 76 7.666 -50.161 -2.567 1.00 4.02 C ATOM 1130 CD PRO A 76 7.806 -48.677 -2.371 1.00 12.40 C ATOM 0 HA PRO A 76 10.929 -49.608 -2.337 1.00 61.20 H new ATOM 0 HB2 PRO A 76 9.152 -51.665 -2.910 1.00 63.42 H new ATOM 0 HB3 PRO A 76 9.209 -50.952 -1.310 1.00 63.42 H new ATOM 0 HG2 PRO A 76 7.293 -50.389 -3.566 1.00 4.02 H new ATOM 0 HG3 PRO A 76 6.955 -50.583 -1.857 1.00 4.02 H new ATOM 0 HD2 PRO A 76 7.118 -48.121 -3.008 1.00 12.40 H new ATOM 0 HD3 PRO A 76 7.594 -48.386 -1.342 1.00 12.40 H new ATOM 1138 N ASP A 77 10.952 -51.096 -4.568 1.00 14.44 N ATOM 1139 CA ASP A 77 11.365 -51.481 -5.912 1.00 5.12 C ATOM 1140 C ASP A 77 10.172 -51.965 -6.730 1.00 24.42 C ATOM 1141 O ASP A 77 10.310 -52.309 -7.903 1.00 43.14 O ATOM 1142 CB ASP A 77 12.433 -52.575 -5.846 1.00 55.32 C ATOM 1143 CG ASP A 77 13.782 -52.098 -6.348 1.00 34.25 C ATOM 1144 OD1 ASP A 77 14.673 -51.851 -5.508 1.00 42.34 O ATOM 1145 OD2 ASP A 77 13.946 -51.974 -7.579 1.00 2.31 O ATOM 0 H ASP A 77 11.152 -51.792 -3.850 1.00 14.44 H new ATOM 0 HA ASP A 77 11.785 -50.603 -6.402 1.00 5.12 H new ATOM 0 HB2 ASP A 77 12.533 -52.920 -4.817 1.00 55.32 H new ATOM 0 HB3 ASP A 77 12.110 -53.431 -6.439 1.00 55.32 H new ATOM 1150 N ALA A 78 9.002 -51.991 -6.101 1.00 72.21 N ATOM 1151 CA ALA A 78 7.785 -52.433 -6.771 1.00 14.43 C ATOM 1152 C ALA A 78 6.841 -51.262 -7.023 1.00 10.44 C ATOM 1153 O ALA A 78 6.045 -51.283 -7.961 1.00 25.42 O ATOM 1154 CB ALA A 78 7.089 -53.506 -5.947 1.00 33.01 C ATOM 0 H ALA A 78 8.871 -51.711 -5.129 1.00 72.21 H new ATOM 0 HA ALA A 78 8.064 -52.855 -7.736 1.00 14.43 H new ATOM 0 HB1 ALA A 78 6.182 -53.827 -6.459 1.00 33.01 H new ATOM 0 HB2 ALA A 78 7.756 -54.359 -5.822 1.00 33.01 H new ATOM 0 HB3 ALA A 78 6.830 -53.102 -4.968 1.00 33.01 H new ATOM 1160 N GLY A 79 6.935 -50.239 -6.177 1.00 73.44 N ATOM 1161 CA GLY A 79 6.083 -49.074 -6.325 1.00 53.13 C ATOM 1162 C GLY A 79 5.171 -48.867 -5.132 1.00 71.13 C ATOM 1163 O GLY A 79 5.255 -49.597 -4.145 1.00 30.14 O ATOM 0 H GLY A 79 7.586 -50.197 -5.393 1.00 73.44 H new ATOM 0 HA2 GLY A 79 6.704 -48.189 -6.462 1.00 53.13 H new ATOM 0 HA3 GLY A 79 5.479 -49.182 -7.226 1.00 53.13 H new ATOM 1167 N TRP A 80 4.299 -47.869 -5.222 1.00 60.43 N ATOM 1168 CA TRP A 80 3.369 -47.568 -4.140 1.00 53.42 C ATOM 1169 C TRP A 80 2.285 -48.636 -4.040 1.00 43.31 C ATOM 1170 O TRP A 80 2.125 -49.276 -3.002 1.00 5.33 O ATOM 1171 CB TRP A 80 2.730 -46.195 -4.357 1.00 3.30 C ATOM 1172 CG TRP A 80 3.682 -45.057 -4.144 1.00 2.30 C ATOM 1173 CD1 TRP A 80 4.058 -44.119 -5.063 1.00 72.34 C ATOM 1174 CD2 TRP A 80 4.380 -44.738 -2.935 1.00 60.11 C ATOM 1175 NE1 TRP A 80 4.947 -43.237 -4.499 1.00 22.11 N ATOM 1176 CE2 TRP A 80 5.161 -43.594 -3.194 1.00 34.31 C ATOM 1177 CE3 TRP A 80 4.420 -45.306 -1.659 1.00 30.00 C ATOM 1178 CZ2 TRP A 80 5.971 -43.011 -2.223 1.00 70.43 C ATOM 1179 CZ3 TRP A 80 5.225 -44.726 -0.697 1.00 20.51 C ATOM 1180 CH2 TRP A 80 5.991 -43.588 -0.983 1.00 30.54 C ATOM 0 H TRP A 80 4.217 -47.255 -6.032 1.00 60.43 H new ATOM 0 HA TRP A 80 3.930 -47.557 -3.205 1.00 53.42 H new ATOM 0 HB2 TRP A 80 2.333 -46.143 -5.371 1.00 3.30 H new ATOM 0 HB3 TRP A 80 1.885 -46.084 -3.678 1.00 3.30 H new ATOM 0 HD1 TRP A 80 3.708 -44.077 -6.084 1.00 72.34 H new ATOM 0 HE1 TRP A 80 5.378 -42.444 -4.975 1.00 22.11 H new ATOM 0 HE3 TRP A 80 3.832 -46.182 -1.429 1.00 30.00 H new ATOM 0 HZ2 TRP A 80 6.563 -42.134 -2.441 1.00 70.43 H new ATOM 0 HZ3 TRP A 80 5.264 -45.157 0.292 1.00 20.51 H new ATOM 0 HH2 TRP A 80 6.609 -43.158 -0.209 1.00 30.54 H new ATOM 1191 N GLY A 81 1.543 -48.823 -5.127 1.00 34.30 N ATOM 1192 CA GLY A 81 0.484 -49.815 -5.140 1.00 34.44 C ATOM 1193 C GLY A 81 -0.815 -49.284 -4.567 1.00 34.23 C ATOM 1194 O GLY A 81 -0.983 -48.076 -4.407 1.00 42.13 O ATOM 0 H GLY A 81 1.656 -48.305 -5.999 1.00 34.30 H new ATOM 0 HA2 GLY A 81 0.316 -50.149 -6.164 1.00 34.44 H new ATOM 0 HA3 GLY A 81 0.800 -50.687 -4.568 1.00 34.44 H new ATOM 1198 N ASN A 82 -1.738 -50.189 -4.258 1.00 32.52 N ATOM 1199 CA ASN A 82 -3.030 -49.805 -3.702 1.00 12.35 C ATOM 1200 C ASN A 82 -3.320 -50.573 -2.416 1.00 24.51 C ATOM 1201 O ASN A 82 -4.469 -50.904 -2.123 1.00 34.24 O ATOM 1202 CB ASN A 82 -4.143 -50.056 -4.721 1.00 31.31 C ATOM 1203 CG ASN A 82 -3.927 -49.292 -6.013 1.00 33.11 C ATOM 1204 OD1 ASN A 82 -4.597 -48.293 -6.276 1.00 34.33 O ATOM 1205 ND2 ASN A 82 -2.988 -49.760 -6.827 1.00 12.11 N ATOM 0 H ASN A 82 -1.615 -51.194 -4.383 1.00 32.52 H new ATOM 0 HA ASN A 82 -2.994 -48.741 -3.468 1.00 12.35 H new ATOM 0 HB2 ASN A 82 -4.199 -51.123 -4.938 1.00 31.31 H new ATOM 0 HB3 ASN A 82 -5.101 -49.768 -4.287 1.00 31.31 H new ATOM 0 HD21 ASN A 82 -2.798 -49.288 -7.711 1.00 12.11 H new ATOM 0 HD22 ASN A 82 -2.457 -50.591 -6.568 1.00 12.11 H new ATOM 1212 N LEU A 83 -2.270 -50.854 -1.652 1.00 64.41 N ATOM 1213 CA LEU A 83 -2.410 -51.584 -0.397 1.00 11.24 C ATOM 1214 C LEU A 83 -2.641 -50.625 0.767 1.00 33.31 C ATOM 1215 O LEU A 83 -2.765 -49.416 0.574 1.00 51.22 O ATOM 1216 CB LEU A 83 -1.164 -52.431 -0.134 1.00 60.42 C ATOM 1217 CG LEU A 83 0.180 -51.736 -0.357 1.00 74.44 C ATOM 1218 CD1 LEU A 83 0.566 -51.782 -1.827 1.00 44.35 C ATOM 1219 CD2 LEU A 83 0.125 -50.298 0.138 1.00 70.45 C ATOM 0 H LEU A 83 -1.312 -50.587 -1.880 1.00 64.41 H new ATOM 0 HA LEU A 83 -3.276 -52.240 -0.482 1.00 11.24 H new ATOM 0 HB2 LEU A 83 -1.201 -52.785 0.896 1.00 60.42 H new ATOM 0 HB3 LEU A 83 -1.206 -53.311 -0.775 1.00 60.42 H new ATOM 0 HG LEU A 83 0.942 -52.266 0.214 1.00 74.44 H new ATOM 0 HD11 LEU A 83 1.525 -51.283 -1.967 1.00 44.35 H new ATOM 0 HD12 LEU A 83 0.647 -52.820 -2.150 1.00 44.35 H new ATOM 0 HD13 LEU A 83 -0.196 -51.276 -2.419 1.00 44.35 H new ATOM 0 HD21 LEU A 83 1.090 -49.819 -0.029 1.00 70.45 H new ATOM 0 HD22 LEU A 83 -0.648 -49.755 -0.406 1.00 70.45 H new ATOM 0 HD23 LEU A 83 -0.106 -50.288 1.203 1.00 70.45 H new ATOM 1231 N VAL A 84 -2.697 -51.174 1.977 1.00 45.42 N ATOM 1232 CA VAL A 84 -2.909 -50.367 3.173 1.00 73.13 C ATOM 1233 C VAL A 84 -1.583 -49.981 3.818 1.00 52.40 C ATOM 1234 O VAL A 84 -0.552 -50.605 3.565 1.00 15.21 O ATOM 1235 CB VAL A 84 -3.772 -51.114 4.207 1.00 55.10 C ATOM 1236 CG1 VAL A 84 -4.316 -50.146 5.247 1.00 20.43 C ATOM 1237 CG2 VAL A 84 -4.905 -51.859 3.517 1.00 40.14 C ATOM 0 H VAL A 84 -2.599 -52.174 2.154 1.00 45.42 H new ATOM 0 HA VAL A 84 -3.432 -49.464 2.858 1.00 73.13 H new ATOM 0 HB VAL A 84 -3.145 -51.845 4.718 1.00 55.10 H new ATOM 0 HG11 VAL A 84 -4.923 -50.691 5.969 1.00 20.43 H new ATOM 0 HG12 VAL A 84 -3.487 -49.662 5.762 1.00 20.43 H new ATOM 0 HG13 VAL A 84 -4.928 -49.390 4.755 1.00 20.43 H new ATOM 0 HG21 VAL A 84 -5.504 -52.381 4.263 1.00 40.14 H new ATOM 0 HG22 VAL A 84 -5.533 -51.149 2.979 1.00 40.14 H new ATOM 0 HG23 VAL A 84 -4.490 -52.582 2.814 1.00 40.14 H new ATOM 1247 N TYR A 85 -1.617 -48.948 4.653 1.00 42.02 N ATOM 1248 CA TYR A 85 -0.417 -48.476 5.334 1.00 61.33 C ATOM 1249 C TYR A 85 -0.696 -48.214 6.811 1.00 61.34 C ATOM 1250 O TYR A 85 -1.796 -47.807 7.184 1.00 40.30 O ATOM 1251 CB TYR A 85 0.105 -47.202 4.668 1.00 41.11 C ATOM 1252 CG TYR A 85 -0.322 -45.933 5.371 1.00 64.11 C ATOM 1253 CD1 TYR A 85 -1.412 -45.199 4.920 1.00 21.01 C ATOM 1254 CD2 TYR A 85 0.366 -45.468 6.485 1.00 13.30 C ATOM 1255 CE1 TYR A 85 -1.805 -44.039 5.559 1.00 52.24 C ATOM 1256 CE2 TYR A 85 -0.021 -44.309 7.131 1.00 73.53 C ATOM 1257 CZ TYR A 85 -1.107 -43.598 6.664 1.00 70.43 C ATOM 1258 OH TYR A 85 -1.495 -42.443 7.303 1.00 22.33 O ATOM 0 H TYR A 85 -2.462 -48.422 4.874 1.00 42.02 H new ATOM 0 HA TYR A 85 0.342 -49.254 5.259 1.00 61.33 H new ATOM 0 HB2 TYR A 85 1.194 -47.240 4.634 1.00 41.11 H new ATOM 0 HB3 TYR A 85 -0.245 -47.172 3.636 1.00 41.11 H new ATOM 0 HD1 TYR A 85 -1.961 -45.541 4.055 1.00 21.01 H new ATOM 0 HD2 TYR A 85 1.218 -46.022 6.852 1.00 13.30 H new ATOM 0 HE1 TYR A 85 -2.655 -43.480 5.195 1.00 52.24 H new ATOM 0 HE2 TYR A 85 0.524 -43.962 7.997 1.00 73.53 H new ATOM 0 HH TYR A 85 -1.986 -41.872 6.676 1.00 22.33 H new ATOM 1268 N VAL A 86 0.310 -48.451 7.647 1.00 34.02 N ATOM 1269 CA VAL A 86 0.175 -48.240 9.083 1.00 1.45 C ATOM 1270 C VAL A 86 0.981 -47.028 9.538 1.00 11.04 C ATOM 1271 O VAL A 86 2.203 -46.992 9.395 1.00 50.04 O ATOM 1272 CB VAL A 86 0.635 -49.476 9.878 1.00 31.13 C ATOM 1273 CG1 VAL A 86 0.458 -49.247 11.372 1.00 74.54 C ATOM 1274 CG2 VAL A 86 -0.126 -50.713 9.426 1.00 72.11 C ATOM 0 H VAL A 86 1.227 -48.789 7.354 1.00 34.02 H new ATOM 0 HA VAL A 86 -0.883 -48.064 9.279 1.00 1.45 H new ATOM 0 HB VAL A 86 1.695 -49.638 9.683 1.00 31.13 H new ATOM 0 HG11 VAL A 86 0.788 -50.131 11.917 1.00 74.54 H new ATOM 0 HG12 VAL A 86 1.052 -48.387 11.681 1.00 74.54 H new ATOM 0 HG13 VAL A 86 -0.593 -49.059 11.589 1.00 74.54 H new ATOM 0 HG21 VAL A 86 0.212 -51.577 9.998 1.00 72.11 H new ATOM 0 HG22 VAL A 86 -1.193 -50.564 9.590 1.00 72.11 H new ATOM 0 HG23 VAL A 86 0.058 -50.886 8.366 1.00 72.11 H new ATOM 1284 N VAL A 87 0.288 -46.036 10.089 1.00 20.11 N ATOM 1285 CA VAL A 87 0.939 -44.822 10.567 1.00 30.33 C ATOM 1286 C VAL A 87 1.979 -45.141 11.635 1.00 3.12 C ATOM 1287 O VAL A 87 1.949 -46.208 12.247 1.00 12.30 O ATOM 1288 CB VAL A 87 -0.085 -43.827 11.144 1.00 3.43 C ATOM 1289 CG1 VAL A 87 -0.874 -43.163 10.026 1.00 63.32 C ATOM 1290 CG2 VAL A 87 -1.016 -44.527 12.122 1.00 30.11 C ATOM 0 H VAL A 87 -0.724 -46.049 10.215 1.00 20.11 H new ATOM 0 HA VAL A 87 1.432 -44.367 9.708 1.00 30.33 H new ATOM 0 HB VAL A 87 0.455 -43.050 11.685 1.00 3.43 H new ATOM 0 HG11 VAL A 87 -1.592 -42.464 10.453 1.00 63.32 H new ATOM 0 HG12 VAL A 87 -0.191 -42.625 9.368 1.00 63.32 H new ATOM 0 HG13 VAL A 87 -1.405 -43.924 9.454 1.00 63.32 H new ATOM 0 HG21 VAL A 87 -1.733 -43.809 12.520 1.00 30.11 H new ATOM 0 HG22 VAL A 87 -1.550 -45.326 11.608 1.00 30.11 H new ATOM 0 HG23 VAL A 87 -0.433 -44.949 12.941 1.00 30.11 H new ATOM 1300 N ASN A 88 2.900 -44.207 11.854 1.00 34.32 N ATOM 1301 CA ASN A 88 3.951 -44.389 12.849 1.00 55.50 C ATOM 1302 C ASN A 88 4.303 -43.062 13.516 1.00 72.31 C ATOM 1303 O ASN A 88 4.765 -42.129 12.859 1.00 14.35 O ATOM 1304 CB ASN A 88 5.197 -44.993 12.200 1.00 43.32 C ATOM 1305 CG ASN A 88 6.191 -45.506 13.224 1.00 62.02 C ATOM 1306 OD1 ASN A 88 5.812 -46.134 14.212 1.00 23.14 O ATOM 1307 ND2 ASN A 88 7.471 -45.240 12.991 1.00 42.12 N ATOM 0 H ASN A 88 2.940 -43.318 11.356 1.00 34.32 H new ATOM 0 HA ASN A 88 3.580 -45.073 13.613 1.00 55.50 H new ATOM 0 HB2 ASN A 88 4.901 -45.811 11.543 1.00 43.32 H new ATOM 0 HB3 ASN A 88 5.679 -44.241 11.575 1.00 43.32 H new ATOM 0 HD21 ASN A 88 8.186 -45.560 13.645 1.00 42.12 H new ATOM 0 HD22 ASN A 88 7.740 -44.716 12.158 1.00 42.12 H new