USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 525 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 19 MET CE :methyl -110:sc= -0.267 (180deg=-2.45!) USER MOD Single : A 20 ASN : amide:sc= -3.6 K(o=-3.6,f=-9.5!) USER MOD Single : A 23 MET CE :methyl -121:sc= -0.0464 (180deg=-1.71) USER MOD Single : A 26 ASN : amide:sc= 0.154 X(o=0.15,f=0) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 130:sc= -0.265 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -3.52! C(o=-3.5!,f=-5.3!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= 0.0899 K(o=0.09,f=-1.8) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -132:sc= -1.01 (180deg=-2.5) USER MOD Single : A 51 SER OG : rot -55:sc= 0.0359 USER MOD Single : A 57 THR OG1 : rot 117:sc= 0.743 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -16:sc= 0.731 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -115:sc= 0.161 (180deg=-1.41) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.00943 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -2.45! C(o=-2.4!,f=-2.7!) USER MOD Single : A 76 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.129) USER MOD Single : A 79 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.024) USER MOD Single : A 81 MET CE :methyl -122:sc= -6.13! (180deg=-17.2!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 236 N LEU A 18 -9.926 -12.837 -0.899 1.00 0.00 N ATOM 237 CA LEU A 18 -9.767 -11.582 -0.174 1.00 0.00 C ATOM 238 C LEU A 18 -8.357 -11.027 -0.347 1.00 0.00 C ATOM 239 O LEU A 18 -8.176 -9.860 -0.691 1.00 0.00 O ATOM 240 CB LEU A 18 -10.068 -11.787 1.312 1.00 0.00 C ATOM 241 CG LEU A 18 -11.315 -12.609 1.637 1.00 0.00 C ATOM 242 CD1 LEU A 18 -11.146 -13.332 2.965 1.00 0.00 C ATOM 243 CD2 LEU A 18 -12.549 -11.719 1.666 1.00 0.00 C ATOM 0 HA LEU A 18 -10.474 -10.862 -0.586 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.207 -12.272 1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.171 -10.808 1.780 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.449 -13.355 0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.043 -13.912 3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.287 -14.000 2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.987 -12.602 3.759 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.427 -12.322 1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.425 -10.949 2.428 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.681 -11.248 0.692 1.00 0.00 H new ATOM 255 N MET A 19 -7.360 -11.874 -0.109 1.00 0.00 N ATOM 256 CA MET A 19 -5.966 -11.469 -0.243 1.00 0.00 C ATOM 257 C MET A 19 -5.754 -10.662 -1.520 1.00 0.00 C ATOM 258 O MET A 19 -4.803 -9.888 -1.625 1.00 0.00 O ATOM 259 CB MET A 19 -5.054 -12.697 -0.245 1.00 0.00 C ATOM 260 CG MET A 19 -5.152 -13.525 -1.516 1.00 0.00 C ATOM 261 SD MET A 19 -6.673 -14.491 -1.600 1.00 0.00 S ATOM 262 CE MET A 19 -7.296 -14.001 -3.206 1.00 0.00 C ATOM 0 H MET A 19 -7.492 -12.844 0.177 1.00 0.00 H new ATOM 0 HA MET A 19 -5.714 -10.839 0.610 1.00 0.00 H new ATOM 0 HB2 MET A 19 -4.022 -12.373 -0.111 1.00 0.00 H new ATOM 0 HB3 MET A 19 -5.304 -13.326 0.609 1.00 0.00 H new ATOM 0 HG2 MET A 19 -5.098 -12.864 -2.381 1.00 0.00 H new ATOM 0 HG3 MET A 19 -4.296 -14.197 -1.574 1.00 0.00 H new ATOM 0 HE1 MET A 19 -8.185 -13.384 -3.078 1.00 0.00 H new ATOM 0 HE2 MET A 19 -6.532 -13.431 -3.734 1.00 0.00 H new ATOM 0 HE3 MET A 19 -7.551 -14.889 -3.784 1.00 0.00 H new ATOM 272 N ASN A 20 -6.646 -10.848 -2.487 1.00 0.00 N ATOM 273 CA ASN A 20 -6.555 -10.137 -3.757 1.00 0.00 C ATOM 274 C ASN A 20 -6.284 -8.653 -3.532 1.00 0.00 C ATOM 275 O ASN A 20 -5.348 -8.090 -4.099 1.00 0.00 O ATOM 276 CB ASN A 20 -7.847 -10.315 -4.558 1.00 0.00 C ATOM 277 CG ASN A 20 -9.061 -9.781 -3.823 1.00 0.00 C ATOM 278 OD1 ASN A 20 -9.454 -10.310 -2.783 1.00 0.00 O ATOM 279 ND2 ASN A 20 -9.662 -8.726 -4.362 1.00 0.00 N ATOM 0 H ASN A 20 -7.440 -11.485 -2.416 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.723 -10.558 -4.322 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.751 -9.803 -5.515 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -7.994 -11.373 -4.775 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -10.484 -8.322 -3.912 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -9.302 -8.320 -5.225 1.00 0.00 H new ATOM 286 N ALA A 21 -7.109 -8.025 -2.700 1.00 0.00 N ATOM 287 CA ALA A 21 -6.956 -6.608 -2.397 1.00 0.00 C ATOM 288 C ALA A 21 -5.486 -6.203 -2.389 1.00 0.00 C ATOM 289 O ALA A 21 -5.103 -5.203 -2.998 1.00 0.00 O ATOM 290 CB ALA A 21 -7.603 -6.281 -1.059 1.00 0.00 C ATOM 0 H ALA A 21 -7.890 -8.476 -2.224 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.458 -6.039 -3.180 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.481 -5.219 -0.846 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.665 -6.523 -1.100 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.127 -6.866 -0.272 1.00 0.00 H new ATOM 296 N LEU A 22 -4.666 -6.985 -1.695 1.00 0.00 N ATOM 297 CA LEU A 22 -3.237 -6.708 -1.607 1.00 0.00 C ATOM 298 C LEU A 22 -2.615 -6.606 -2.996 1.00 0.00 C ATOM 299 O LEU A 22 -2.144 -5.543 -3.399 1.00 0.00 O ATOM 300 CB LEU A 22 -2.534 -7.801 -0.800 1.00 0.00 C ATOM 301 CG LEU A 22 -2.505 -7.603 0.715 1.00 0.00 C ATOM 302 CD1 LEU A 22 -2.034 -8.871 1.411 1.00 0.00 C ATOM 303 CD2 LEU A 22 -1.610 -6.428 1.083 1.00 0.00 C ATOM 0 H LEU A 22 -4.967 -7.816 -1.185 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.108 -5.751 -1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.022 -8.752 -1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.507 -7.883 -1.155 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.518 -7.383 1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.020 -8.711 2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.714 -9.690 1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.030 -9.123 1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.602 -6.302 2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.596 -6.619 0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.991 -5.520 0.615 1.00 0.00 H new ATOM 315 N MET A 23 -2.620 -7.718 -3.724 1.00 0.00 N ATOM 316 CA MET A 23 -2.059 -7.752 -5.070 1.00 0.00 C ATOM 317 C MET A 23 -2.582 -6.588 -5.906 1.00 0.00 C ATOM 318 O MET A 23 -1.837 -5.981 -6.676 1.00 0.00 O ATOM 319 CB MET A 23 -2.398 -9.078 -5.753 1.00 0.00 C ATOM 320 CG MET A 23 -1.388 -10.180 -5.477 1.00 0.00 C ATOM 321 SD MET A 23 -2.014 -11.818 -5.897 1.00 0.00 S ATOM 322 CE MET A 23 -3.202 -12.074 -4.582 1.00 0.00 C ATOM 0 H MET A 23 -3.006 -8.607 -3.405 1.00 0.00 H new ATOM 0 HA MET A 23 -0.976 -7.660 -4.988 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.382 -9.407 -5.420 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.462 -8.917 -6.829 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.479 -9.986 -6.047 1.00 0.00 H new ATOM 0 HG3 MET A 23 -1.113 -10.160 -4.422 1.00 0.00 H new ATOM 0 HE1 MET A 23 -2.935 -12.968 -4.019 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.199 -11.211 -3.916 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.197 -12.198 -5.010 1.00 0.00 H new ATOM 332 N ARG A 24 -3.865 -6.282 -5.750 1.00 0.00 N ATOM 333 CA ARG A 24 -4.486 -5.191 -6.492 1.00 0.00 C ATOM 334 C ARG A 24 -3.734 -3.883 -6.267 1.00 0.00 C ATOM 335 O ARG A 24 -3.280 -3.244 -7.218 1.00 0.00 O ATOM 336 CB ARG A 24 -5.949 -5.029 -6.073 1.00 0.00 C ATOM 337 CG ARG A 24 -6.815 -6.233 -6.406 1.00 0.00 C ATOM 338 CD ARG A 24 -7.119 -6.306 -7.894 1.00 0.00 C ATOM 339 NE ARG A 24 -8.088 -5.293 -8.305 1.00 0.00 N ATOM 340 CZ ARG A 24 -9.383 -5.355 -8.014 1.00 0.00 C ATOM 341 NH1 ARG A 24 -9.861 -6.375 -7.315 1.00 0.00 N ATOM 342 NH2 ARG A 24 -10.202 -4.395 -8.424 1.00 0.00 N ATOM 0 H ARG A 24 -4.495 -6.774 -5.117 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.444 -5.436 -7.553 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.992 -4.847 -4.999 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.363 -4.148 -6.563 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.308 -7.145 -6.092 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.748 -6.178 -5.845 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.196 -6.175 -8.459 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.504 -7.296 -8.137 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.752 -4.495 -8.844 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.234 -7.115 -6.999 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.856 -6.420 -7.093 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.838 -3.609 -8.963 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.196 -4.443 -8.201 1.00 0.00 H new ATOM 356 N LEU A 25 -3.605 -3.489 -5.005 1.00 0.00 N ATOM 357 CA LEU A 25 -2.908 -2.257 -4.655 1.00 0.00 C ATOM 358 C LEU A 25 -1.523 -2.214 -5.293 1.00 0.00 C ATOM 359 O LEU A 25 -1.057 -1.158 -5.718 1.00 0.00 O ATOM 360 CB LEU A 25 -2.787 -2.130 -3.135 1.00 0.00 C ATOM 361 CG LEU A 25 -2.630 -0.710 -2.590 1.00 0.00 C ATOM 362 CD1 LEU A 25 -3.921 0.075 -2.769 1.00 0.00 C ATOM 363 CD2 LEU A 25 -2.222 -0.743 -1.125 1.00 0.00 C ATOM 0 H LEU A 25 -3.974 -4.005 -4.207 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.490 -1.418 -5.038 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.672 -2.576 -2.682 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.930 -2.720 -2.808 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.843 -0.209 -3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.791 1.083 -2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.171 0.128 -3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.727 -0.423 -2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.115 0.276 -0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.986 -1.261 -0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.272 -1.268 -1.024 1.00 0.00 H new ATOM 375 N ASN A 26 -0.872 -3.371 -5.358 1.00 0.00 N ATOM 376 CA ASN A 26 0.459 -3.467 -5.946 1.00 0.00 C ATOM 377 C ASN A 26 0.400 -3.286 -7.459 1.00 0.00 C ATOM 378 O ASN A 26 1.198 -2.549 -8.038 1.00 0.00 O ATOM 379 CB ASN A 26 1.094 -4.817 -5.606 1.00 0.00 C ATOM 380 CG ASN A 26 1.731 -4.827 -4.231 1.00 0.00 C ATOM 381 OD1 ASN A 26 2.879 -4.412 -4.063 1.00 0.00 O ATOM 382 ND2 ASN A 26 0.988 -5.302 -3.238 1.00 0.00 N ATOM 0 H ASN A 26 -1.245 -4.255 -5.011 1.00 0.00 H new ATOM 0 HA ASN A 26 1.072 -2.669 -5.527 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.333 -5.596 -5.656 1.00 0.00 H new ATOM 0 HB3 ASN A 26 1.848 -5.059 -6.355 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.363 -5.334 -2.290 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.042 -5.635 -3.423 1.00 0.00 H new ATOM 389 N GLN A 27 -0.552 -3.963 -8.094 1.00 0.00 N ATOM 390 CA GLN A 27 -0.715 -3.877 -9.540 1.00 0.00 C ATOM 391 C GLN A 27 -0.641 -2.429 -10.011 1.00 0.00 C ATOM 392 O GLN A 27 0.109 -2.103 -10.932 1.00 0.00 O ATOM 393 CB GLN A 27 -2.050 -4.495 -9.961 1.00 0.00 C ATOM 394 CG GLN A 27 -2.060 -6.015 -9.908 1.00 0.00 C ATOM 395 CD GLN A 27 -3.332 -6.610 -10.480 1.00 0.00 C ATOM 396 OE1 GLN A 27 -3.975 -6.015 -11.345 1.00 0.00 O ATOM 397 NE2 GLN A 27 -3.701 -7.791 -9.999 1.00 0.00 N ATOM 0 H GLN A 27 -1.221 -4.577 -7.630 1.00 0.00 H new ATOM 0 HA GLN A 27 0.098 -4.433 -10.006 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.839 -4.112 -9.313 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.286 -4.173 -10.975 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.203 -6.400 -10.461 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.944 -6.340 -8.874 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.138 -8.248 -9.282 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.548 -8.241 -10.346 1.00 0.00 H new ATOM 406 N ILE A 28 -1.424 -1.564 -9.375 1.00 0.00 N ATOM 407 CA ILE A 28 -1.445 -0.150 -9.729 1.00 0.00 C ATOM 408 C ILE A 28 -0.244 0.582 -9.142 1.00 0.00 C ATOM 409 O ILE A 28 0.363 1.427 -9.800 1.00 0.00 O ATOM 410 CB ILE A 28 -2.737 0.532 -9.241 1.00 0.00 C ATOM 411 CG1 ILE A 28 -2.942 0.277 -7.747 1.00 0.00 C ATOM 412 CG2 ILE A 28 -3.933 0.034 -10.038 1.00 0.00 C ATOM 413 CD1 ILE A 28 -4.086 1.065 -7.150 1.00 0.00 C ATOM 0 H ILE A 28 -2.052 -1.817 -8.612 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.403 -0.096 -10.817 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.643 1.607 -9.397 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.123 -0.786 -7.590 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.024 0.526 -7.215 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.838 0.525 -9.681 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.788 0.263 -11.094 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.031 -1.044 -9.911 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.172 0.834 -6.088 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.898 2.131 -7.275 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.014 0.799 -7.656 1.00 0.00 H new ATOM 425 N ARG A 29 0.095 0.251 -7.900 1.00 0.00 N ATOM 426 CA ARG A 29 1.225 0.877 -7.224 1.00 0.00 C ATOM 427 C ARG A 29 2.250 -0.170 -6.797 1.00 0.00 C ATOM 428 O ARG A 29 2.161 -0.757 -5.719 1.00 0.00 O ATOM 429 CB ARG A 29 0.745 1.664 -6.003 1.00 0.00 C ATOM 430 CG ARG A 29 0.384 3.107 -6.313 1.00 0.00 C ATOM 431 CD ARG A 29 -0.577 3.202 -7.488 1.00 0.00 C ATOM 432 NE ARG A 29 -1.274 4.485 -7.523 1.00 0.00 N ATOM 433 CZ ARG A 29 -2.010 4.893 -8.550 1.00 0.00 C ATOM 434 NH1 ARG A 29 -2.144 4.124 -9.622 1.00 0.00 N ATOM 435 NH2 ARG A 29 -2.614 6.074 -8.508 1.00 0.00 N ATOM 0 H ARG A 29 -0.397 -0.447 -7.342 1.00 0.00 H new ATOM 0 HA ARG A 29 1.701 1.563 -7.925 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.125 1.164 -5.578 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.525 1.649 -5.242 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.068 3.567 -5.434 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.290 3.670 -6.537 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.027 3.063 -8.419 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.307 2.395 -7.426 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.191 5.101 -6.714 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.681 3.216 -9.659 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.710 4.441 -10.409 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.513 6.669 -7.686 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.179 6.386 -9.298 1.00 0.00 H new ATOM 449 N PRO A 30 3.248 -0.409 -7.661 1.00 0.00 N ATOM 450 CA PRO A 30 4.309 -1.385 -7.395 1.00 0.00 C ATOM 451 C PRO A 30 5.249 -0.930 -6.285 1.00 0.00 C ATOM 452 O PRO A 30 5.431 0.267 -6.063 1.00 0.00 O ATOM 453 CB PRO A 30 5.056 -1.468 -8.729 1.00 0.00 C ATOM 454 CG PRO A 30 4.798 -0.159 -9.390 1.00 0.00 C ATOM 455 CD PRO A 30 3.416 0.255 -8.965 1.00 0.00 C ATOM 0 HA PRO A 30 3.909 -2.340 -7.055 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.123 -1.631 -8.576 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.691 -2.297 -9.336 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.538 0.583 -9.088 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.862 -0.250 -10.474 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.329 1.338 -8.879 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.661 -0.069 -9.681 1.00 0.00 H new ATOM 463 N GLY A 31 5.846 -1.893 -5.589 1.00 0.00 N ATOM 464 CA GLY A 31 6.761 -1.571 -4.510 1.00 0.00 C ATOM 465 C GLY A 31 6.142 -0.647 -3.481 1.00 0.00 C ATOM 466 O GLY A 31 6.492 0.532 -3.402 1.00 0.00 O ATOM 0 H GLY A 31 5.712 -2.891 -5.754 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.080 -2.492 -4.022 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.655 -1.103 -4.923 1.00 0.00 H new ATOM 470 N LEU A 32 5.217 -1.179 -2.690 1.00 0.00 N ATOM 471 CA LEU A 32 4.545 -0.394 -1.661 1.00 0.00 C ATOM 472 C LEU A 32 5.101 -0.718 -0.278 1.00 0.00 C ATOM 473 O LEU A 32 5.720 -1.762 -0.078 1.00 0.00 O ATOM 474 CB LEU A 32 3.038 -0.658 -1.692 1.00 0.00 C ATOM 475 CG LEU A 32 2.275 -0.052 -2.870 1.00 0.00 C ATOM 476 CD1 LEU A 32 1.064 -0.904 -3.216 1.00 0.00 C ATOM 477 CD2 LEU A 32 1.852 1.375 -2.554 1.00 0.00 C ATOM 0 H LEU A 32 4.915 -2.152 -2.742 1.00 0.00 H new ATOM 0 HA LEU A 32 4.727 0.661 -1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.878 -1.736 -1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.603 -0.276 -0.768 1.00 0.00 H new ATOM 0 HG LEU A 32 2.938 -0.030 -3.735 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.533 -0.457 -4.057 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.391 -1.908 -3.485 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.399 -0.958 -2.354 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.310 1.791 -3.404 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.206 1.377 -1.676 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.736 1.981 -2.356 1.00 0.00 H new ATOM 489 N GLN A 33 4.874 0.184 0.672 1.00 0.00 N ATOM 490 CA GLN A 33 5.352 -0.008 2.036 1.00 0.00 C ATOM 491 C GLN A 33 4.224 0.199 3.042 1.00 0.00 C ATOM 492 O GLN A 33 3.503 1.195 2.985 1.00 0.00 O ATOM 493 CB GLN A 33 6.502 0.956 2.336 1.00 0.00 C ATOM 494 CG GLN A 33 6.060 2.403 2.484 1.00 0.00 C ATOM 495 CD GLN A 33 7.217 3.341 2.764 1.00 0.00 C ATOM 496 OE1 GLN A 33 8.068 3.571 1.903 1.00 0.00 O ATOM 497 NE2 GLN A 33 7.257 3.889 3.973 1.00 0.00 N ATOM 0 H GLN A 33 4.363 1.054 0.522 1.00 0.00 H new ATOM 0 HA GLN A 33 5.713 -1.033 2.127 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.999 0.641 3.253 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.239 0.890 1.535 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.553 2.719 1.572 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.334 2.476 3.294 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.531 3.671 4.656 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.013 4.528 4.219 1.00 0.00 H new ATOM 506 N TYR A 34 4.078 -0.749 3.961 1.00 0.00 N ATOM 507 CA TYR A 34 3.036 -0.673 4.978 1.00 0.00 C ATOM 508 C TYR A 34 3.643 -0.555 6.372 1.00 0.00 C ATOM 509 O TYR A 34 4.565 -1.291 6.726 1.00 0.00 O ATOM 510 CB TYR A 34 2.132 -1.904 4.905 1.00 0.00 C ATOM 511 CG TYR A 34 1.621 -2.199 3.513 1.00 0.00 C ATOM 512 CD1 TYR A 34 2.349 -2.997 2.639 1.00 0.00 C ATOM 513 CD2 TYR A 34 0.411 -1.680 3.071 1.00 0.00 C ATOM 514 CE1 TYR A 34 1.887 -3.269 1.366 1.00 0.00 C ATOM 515 CE2 TYR A 34 -0.060 -1.947 1.800 1.00 0.00 C ATOM 516 CZ TYR A 34 0.682 -2.742 0.951 1.00 0.00 C ATOM 517 OH TYR A 34 0.217 -3.010 -0.316 1.00 0.00 O ATOM 0 H TYR A 34 4.668 -1.579 4.023 1.00 0.00 H new ATOM 0 HA TYR A 34 2.440 0.219 4.785 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.682 -2.770 5.272 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.282 -1.760 5.572 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.293 -3.412 2.961 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.172 -1.057 3.733 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.466 -3.891 0.699 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.004 -1.536 1.473 1.00 0.00 H new ATOM 0 HH TYR A 34 -0.711 -3.320 -0.265 1.00 0.00 H new ATOM 527 N LYS A 35 3.119 0.376 7.162 1.00 0.00 N ATOM 528 CA LYS A 35 3.606 0.592 8.519 1.00 0.00 C ATOM 529 C LYS A 35 2.476 0.442 9.533 1.00 0.00 C ATOM 530 O LYS A 35 1.314 0.717 9.228 1.00 0.00 O ATOM 531 CB LYS A 35 4.235 1.981 8.643 1.00 0.00 C ATOM 532 CG LYS A 35 4.871 2.242 9.997 1.00 0.00 C ATOM 533 CD LYS A 35 6.227 1.565 10.116 1.00 0.00 C ATOM 534 CE LYS A 35 7.056 2.172 11.238 1.00 0.00 C ATOM 535 NZ LYS A 35 7.786 3.390 10.792 1.00 0.00 N ATOM 0 H LYS A 35 2.356 0.994 6.885 1.00 0.00 H new ATOM 0 HA LYS A 35 4.363 -0.163 8.730 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.991 2.099 7.867 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.470 2.735 8.459 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.985 3.316 10.146 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.212 1.879 10.786 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.088 0.500 10.300 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.765 1.658 9.173 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.405 2.425 12.075 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.770 1.434 11.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.339 3.773 11.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.427 3.144 10.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.103 4.105 10.468 1.00 0.00 H new ATOM 549 N LEU A 36 2.823 0.005 10.739 1.00 0.00 N ATOM 550 CA LEU A 36 1.837 -0.180 11.798 1.00 0.00 C ATOM 551 C LEU A 36 1.805 1.029 12.728 1.00 0.00 C ATOM 552 O LEU A 36 2.636 1.155 13.629 1.00 0.00 O ATOM 553 CB LEU A 36 2.151 -1.445 12.598 1.00 0.00 C ATOM 554 CG LEU A 36 0.994 -2.030 13.409 1.00 0.00 C ATOM 555 CD1 LEU A 36 0.017 -2.756 12.498 1.00 0.00 C ATOM 556 CD2 LEU A 36 1.519 -2.968 14.486 1.00 0.00 C ATOM 0 H LEU A 36 3.779 -0.228 11.008 1.00 0.00 H new ATOM 0 HA LEU A 36 0.856 -0.285 11.334 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.507 -2.209 11.907 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.972 -1.225 13.280 1.00 0.00 H new ATOM 0 HG LEU A 36 0.465 -1.210 13.895 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.799 -3.166 13.093 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.384 -2.057 11.764 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.533 -3.567 11.983 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.682 -3.375 15.053 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.072 -3.783 14.020 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.179 -2.418 15.157 1.00 0.00 H new ATOM 568 N LEU A 37 0.839 1.914 12.507 1.00 0.00 N ATOM 569 CA LEU A 37 0.696 3.112 13.327 1.00 0.00 C ATOM 570 C LEU A 37 0.714 2.761 14.811 1.00 0.00 C ATOM 571 O LEU A 37 1.466 3.348 15.589 1.00 0.00 O ATOM 572 CB LEU A 37 -0.603 3.840 12.979 1.00 0.00 C ATOM 573 CG LEU A 37 -0.716 4.364 11.547 1.00 0.00 C ATOM 574 CD1 LEU A 37 -2.133 4.838 11.261 1.00 0.00 C ATOM 575 CD2 LEU A 37 0.282 5.488 11.310 1.00 0.00 C ATOM 0 H LEU A 37 0.143 1.824 11.767 1.00 0.00 H new ATOM 0 HA LEU A 37 1.540 3.769 13.118 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.436 3.162 13.163 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.719 4.681 13.663 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.483 3.548 10.863 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.193 5.207 10.237 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.827 4.007 11.389 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.395 5.639 11.952 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.187 5.849 10.286 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.081 6.305 12.003 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.294 5.116 11.472 1.00 0.00 H new ATOM 587 N SER A 38 -0.118 1.798 15.197 1.00 0.00 N ATOM 588 CA SER A 38 -0.199 1.370 16.588 1.00 0.00 C ATOM 589 C SER A 38 -0.993 0.073 16.712 1.00 0.00 C ATOM 590 O SER A 38 -1.642 -0.363 15.761 1.00 0.00 O ATOM 591 CB SER A 38 -0.848 2.461 17.443 1.00 0.00 C ATOM 592 OG SER A 38 -2.261 2.391 17.372 1.00 0.00 O ATOM 0 H SER A 38 -0.745 1.300 14.565 1.00 0.00 H new ATOM 0 HA SER A 38 0.815 1.192 16.947 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.527 2.354 18.479 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.512 3.441 17.104 1.00 0.00 H new ATOM 0 HG SER A 38 -2.652 3.097 17.928 1.00 0.00 H new ATOM 598 N GLN A 39 -0.935 -0.539 17.890 1.00 0.00 N ATOM 599 CA GLN A 39 -1.647 -1.787 18.139 1.00 0.00 C ATOM 600 C GLN A 39 -2.285 -1.783 19.524 1.00 0.00 C ATOM 601 O GLN A 39 -1.639 -1.439 20.514 1.00 0.00 O ATOM 602 CB GLN A 39 -0.696 -2.977 18.005 1.00 0.00 C ATOM 603 CG GLN A 39 -1.339 -4.311 18.348 1.00 0.00 C ATOM 604 CD GLN A 39 -1.376 -4.574 19.841 1.00 0.00 C ATOM 605 OE1 GLN A 39 -0.715 -3.887 20.620 1.00 0.00 O ATOM 606 NE2 GLN A 39 -2.151 -5.572 20.247 1.00 0.00 N ATOM 0 H GLN A 39 -0.402 -0.191 18.687 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.439 -1.879 17.395 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.319 -3.017 16.983 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.164 -2.819 18.656 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.355 -4.332 17.954 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.789 -5.113 17.855 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.682 -6.115 19.566 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.216 -5.796 21.240 1.00 0.00 H new ATOM 615 N SER A 40 -3.555 -2.168 19.587 1.00 0.00 N ATOM 616 CA SER A 40 -4.282 -2.205 20.851 1.00 0.00 C ATOM 617 C SER A 40 -5.091 -3.492 20.974 1.00 0.00 C ATOM 618 O SER A 40 -5.259 -4.229 20.004 1.00 0.00 O ATOM 619 CB SER A 40 -5.208 -0.993 20.967 1.00 0.00 C ATOM 620 OG SER A 40 -4.467 0.199 21.158 1.00 0.00 O ATOM 0 H SER A 40 -4.103 -2.459 18.777 1.00 0.00 H new ATOM 0 HA SER A 40 -3.554 -2.175 21.662 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.814 -0.907 20.065 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.895 -1.135 21.801 1.00 0.00 H new ATOM 0 HG SER A 40 -5.082 0.959 21.227 1.00 0.00 H new ATOM 626 N GLY A 41 -5.591 -3.756 22.178 1.00 0.00 N ATOM 627 CA GLY A 41 -6.376 -4.955 22.408 1.00 0.00 C ATOM 628 C GLY A 41 -5.588 -6.038 23.117 1.00 0.00 C ATOM 629 O GLY A 41 -4.434 -5.844 23.502 1.00 0.00 O ATOM 0 H GLY A 41 -5.466 -3.161 22.997 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.254 -4.702 23.002 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.736 -5.338 21.453 1.00 0.00 H new ATOM 633 N PRO A 42 -6.216 -7.209 23.300 1.00 0.00 N ATOM 634 CA PRO A 42 -5.584 -8.349 23.970 1.00 0.00 C ATOM 635 C PRO A 42 -4.468 -8.967 23.134 1.00 0.00 C ATOM 636 O PRO A 42 -4.064 -8.412 22.112 1.00 0.00 O ATOM 637 CB PRO A 42 -6.736 -9.343 24.141 1.00 0.00 C ATOM 638 CG PRO A 42 -7.698 -8.997 23.057 1.00 0.00 C ATOM 639 CD PRO A 42 -7.591 -7.509 22.867 1.00 0.00 C ATOM 0 HA PRO A 42 -5.110 -8.059 24.908 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.388 -10.372 24.048 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.197 -9.250 25.124 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.455 -9.526 22.136 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -8.714 -9.283 23.331 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -7.757 -7.223 21.828 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -8.327 -6.973 23.466 1.00 0.00 H new ATOM 647 N VAL A 43 -3.973 -10.119 23.575 1.00 0.00 N ATOM 648 CA VAL A 43 -2.904 -10.813 22.867 1.00 0.00 C ATOM 649 C VAL A 43 -3.468 -11.767 21.820 1.00 0.00 C ATOM 650 O VAL A 43 -2.859 -11.987 20.772 1.00 0.00 O ATOM 651 CB VAL A 43 -2.008 -11.605 23.838 1.00 0.00 C ATOM 652 CG1 VAL A 43 -2.807 -12.698 24.530 1.00 0.00 C ATOM 653 CG2 VAL A 43 -0.813 -12.191 23.102 1.00 0.00 C ATOM 0 H VAL A 43 -4.295 -10.591 24.420 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.304 -10.049 22.373 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.636 -10.922 24.601 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.158 -13.247 25.212 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.627 -12.250 25.091 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.210 -13.382 23.783 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.191 -12.747 23.803 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.162 -12.861 22.316 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.228 -11.385 22.658 1.00 0.00 H new ATOM 663 N HIS A 44 -4.636 -12.332 22.110 1.00 0.00 N ATOM 664 CA HIS A 44 -5.283 -13.263 21.193 1.00 0.00 C ATOM 665 C HIS A 44 -6.117 -12.515 20.157 1.00 0.00 C ATOM 666 O HIS A 44 -6.296 -12.984 19.034 1.00 0.00 O ATOM 667 CB HIS A 44 -6.168 -14.242 21.966 1.00 0.00 C ATOM 668 CG HIS A 44 -7.295 -13.580 22.698 1.00 0.00 C ATOM 669 ND1 HIS A 44 -7.126 -12.909 23.891 1.00 0.00 N ATOM 670 CD2 HIS A 44 -8.612 -13.488 22.400 1.00 0.00 C ATOM 671 CE1 HIS A 44 -8.290 -12.433 24.295 1.00 0.00 C ATOM 672 NE2 HIS A 44 -9.208 -12.771 23.407 1.00 0.00 N ATOM 0 H HIS A 44 -5.153 -12.161 22.972 1.00 0.00 H new ATOM 0 HA HIS A 44 -4.505 -13.821 20.673 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -6.578 -14.975 21.271 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.553 -14.789 22.681 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -9.103 -13.902 21.531 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -8.462 -11.865 25.197 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -10.199 -12.537 23.461 1.00 0.00 H new ATOM 681 N ALA A 45 -6.625 -11.349 20.544 1.00 0.00 N ATOM 682 CA ALA A 45 -7.438 -10.536 19.649 1.00 0.00 C ATOM 683 C ALA A 45 -6.860 -9.132 19.506 1.00 0.00 C ATOM 684 O ALA A 45 -7.541 -8.129 19.721 1.00 0.00 O ATOM 685 CB ALA A 45 -8.872 -10.469 20.153 1.00 0.00 C ATOM 0 H ALA A 45 -6.488 -10.947 21.471 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.432 -11.006 18.665 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.468 -9.858 19.475 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.289 -11.475 20.197 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.887 -10.026 21.149 1.00 0.00 H new ATOM 691 N PRO A 46 -5.573 -9.055 19.135 1.00 0.00 N ATOM 692 CA PRO A 46 -4.876 -7.779 18.956 1.00 0.00 C ATOM 693 C PRO A 46 -5.374 -7.012 17.736 1.00 0.00 C ATOM 694 O PRO A 46 -5.896 -7.602 16.789 1.00 0.00 O ATOM 695 CB PRO A 46 -3.415 -8.197 18.765 1.00 0.00 C ATOM 696 CG PRO A 46 -3.486 -9.587 18.233 1.00 0.00 C ATOM 697 CD PRO A 46 -4.701 -10.210 18.862 1.00 0.00 C ATOM 0 HA PRO A 46 -5.035 -7.106 19.799 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.901 -7.533 18.070 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.866 -8.161 19.706 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.567 -9.585 17.146 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.586 -10.148 18.485 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.179 -10.925 18.192 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.449 -10.749 19.776 1.00 0.00 H new ATOM 705 N VAL A 47 -5.210 -5.693 17.763 1.00 0.00 N ATOM 706 CA VAL A 47 -5.643 -4.846 16.658 1.00 0.00 C ATOM 707 C VAL A 47 -4.449 -4.216 15.949 1.00 0.00 C ATOM 708 O VAL A 47 -3.883 -3.229 16.420 1.00 0.00 O ATOM 709 CB VAL A 47 -6.585 -3.729 17.144 1.00 0.00 C ATOM 710 CG1 VAL A 47 -6.908 -2.771 16.007 1.00 0.00 C ATOM 711 CG2 VAL A 47 -7.858 -4.322 17.729 1.00 0.00 C ATOM 0 H VAL A 47 -4.780 -5.188 18.538 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.181 -5.487 15.959 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.079 -3.167 17.929 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.575 -1.988 16.369 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.987 -2.321 15.638 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.394 -3.317 15.198 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.512 -3.518 18.067 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.370 -4.909 16.966 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.606 -4.964 18.573 1.00 0.00 H new ATOM 721 N PHE A 48 -4.071 -4.794 14.814 1.00 0.00 N ATOM 722 CA PHE A 48 -2.943 -4.290 14.038 1.00 0.00 C ATOM 723 C PHE A 48 -3.382 -3.158 13.114 1.00 0.00 C ATOM 724 O PHE A 48 -3.960 -3.396 12.052 1.00 0.00 O ATOM 725 CB PHE A 48 -2.315 -5.419 13.219 1.00 0.00 C ATOM 726 CG PHE A 48 -1.463 -6.349 14.034 1.00 0.00 C ATOM 727 CD1 PHE A 48 -2.032 -7.408 14.721 1.00 0.00 C ATOM 728 CD2 PHE A 48 -0.092 -6.163 14.113 1.00 0.00 C ATOM 729 CE1 PHE A 48 -1.250 -8.265 15.473 1.00 0.00 C ATOM 730 CE2 PHE A 48 0.695 -7.017 14.863 1.00 0.00 C ATOM 731 CZ PHE A 48 0.115 -8.070 15.543 1.00 0.00 C ATOM 0 H PHE A 48 -4.529 -5.612 14.411 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.200 -3.900 14.734 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.108 -5.993 12.738 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.708 -4.986 12.424 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.099 -7.566 14.669 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.367 -5.342 13.583 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.707 -9.086 16.005 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.762 -6.861 14.917 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.728 -8.739 16.128 1.00 0.00 H new ATOM 741 N THR A 49 -3.103 -1.924 13.524 1.00 0.00 N ATOM 742 CA THR A 49 -3.469 -0.755 12.735 1.00 0.00 C ATOM 743 C THR A 49 -2.411 -0.450 11.680 1.00 0.00 C ATOM 744 O THR A 49 -1.363 0.117 11.986 1.00 0.00 O ATOM 745 CB THR A 49 -3.662 0.486 13.626 1.00 0.00 C ATOM 746 OG1 THR A 49 -4.675 0.232 14.607 1.00 0.00 O ATOM 747 CG2 THR A 49 -4.050 1.697 12.791 1.00 0.00 C ATOM 0 H THR A 49 -2.624 -1.709 14.399 1.00 0.00 H new ATOM 0 HA THR A 49 -4.412 -0.989 12.242 1.00 0.00 H new ATOM 0 HB THR A 49 -2.717 0.697 14.126 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.791 1.025 15.171 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.181 2.561 13.442 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.264 1.905 12.065 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.984 1.493 12.267 1.00 0.00 H new ATOM 755 N MET A 50 -2.694 -0.829 10.438 1.00 0.00 N ATOM 756 CA MET A 50 -1.766 -0.594 9.338 1.00 0.00 C ATOM 757 C MET A 50 -2.090 0.716 8.625 1.00 0.00 C ATOM 758 O MET A 50 -3.145 1.309 8.846 1.00 0.00 O ATOM 759 CB MET A 50 -1.815 -1.755 8.344 1.00 0.00 C ATOM 760 CG MET A 50 -0.828 -2.867 8.659 1.00 0.00 C ATOM 761 SD MET A 50 0.863 -2.447 8.195 1.00 0.00 S ATOM 762 CE MET A 50 1.790 -3.538 9.271 1.00 0.00 C ATOM 0 H MET A 50 -3.558 -1.300 10.168 1.00 0.00 H new ATOM 0 HA MET A 50 -0.760 -0.523 9.752 1.00 0.00 H new ATOM 0 HB2 MET A 50 -2.823 -2.169 8.330 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.613 -1.374 7.343 1.00 0.00 H new ATOM 0 HG2 MET A 50 -0.864 -3.088 9.726 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.130 -3.774 8.136 1.00 0.00 H new ATOM 0 HE1 MET A 50 2.579 -2.974 9.768 1.00 0.00 H new ATOM 0 HE2 MET A 50 1.122 -3.964 10.020 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.233 -4.340 8.681 1.00 0.00 H new ATOM 772 N SER A 51 -1.174 1.161 7.771 1.00 0.00 N ATOM 773 CA SER A 51 -1.361 2.402 7.029 1.00 0.00 C ATOM 774 C SER A 51 -0.548 2.390 5.737 1.00 0.00 C ATOM 775 O SER A 51 0.522 1.786 5.668 1.00 0.00 O ATOM 776 CB SER A 51 -0.955 3.601 7.888 1.00 0.00 C ATOM 777 OG SER A 51 0.451 3.654 8.059 1.00 0.00 O ATOM 0 H SER A 51 -0.295 0.681 7.576 1.00 0.00 H new ATOM 0 HA SER A 51 -2.417 2.488 6.773 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.302 4.522 7.420 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.441 3.536 8.862 1.00 0.00 H new ATOM 0 HG SER A 51 0.768 2.802 8.426 1.00 0.00 H new ATOM 783 N VAL A 52 -1.066 3.063 4.714 1.00 0.00 N ATOM 784 CA VAL A 52 -0.390 3.132 3.424 1.00 0.00 C ATOM 785 C VAL A 52 -0.621 4.481 2.754 1.00 0.00 C ATOM 786 O VAL A 52 -1.661 5.111 2.945 1.00 0.00 O ATOM 787 CB VAL A 52 -0.868 2.013 2.479 1.00 0.00 C ATOM 788 CG1 VAL A 52 -2.175 2.405 1.806 1.00 0.00 C ATOM 789 CG2 VAL A 52 0.201 1.697 1.444 1.00 0.00 C ATOM 0 H VAL A 52 -1.951 3.568 4.754 1.00 0.00 H new ATOM 0 HA VAL A 52 0.675 3.004 3.618 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.046 1.114 3.069 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.497 1.603 1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.938 2.577 2.565 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.027 3.317 1.228 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.154 0.904 0.785 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.413 2.590 0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.110 1.370 1.948 1.00 0.00 H new ATOM 799 N ASP A 53 0.356 4.919 1.967 1.00 0.00 N ATOM 800 CA ASP A 53 0.259 6.194 1.266 1.00 0.00 C ATOM 801 C ASP A 53 0.066 5.978 -0.232 1.00 0.00 C ATOM 802 O ASP A 53 1.013 5.663 -0.952 1.00 0.00 O ATOM 803 CB ASP A 53 1.513 7.034 1.515 1.00 0.00 C ATOM 804 CG ASP A 53 2.789 6.271 1.218 1.00 0.00 C ATOM 805 OD1 ASP A 53 3.197 5.447 2.063 1.00 0.00 O ATOM 806 OD2 ASP A 53 3.380 6.499 0.142 1.00 0.00 O ATOM 0 H ASP A 53 1.224 4.410 1.799 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.609 6.727 1.653 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.476 7.930 0.895 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.525 7.365 2.553 1.00 0.00 H new ATOM 811 N VAL A 54 -1.169 6.148 -0.695 1.00 0.00 N ATOM 812 CA VAL A 54 -1.487 5.972 -2.107 1.00 0.00 C ATOM 813 C VAL A 54 -2.283 7.156 -2.643 1.00 0.00 C ATOM 814 O VAL A 54 -3.146 7.700 -1.953 1.00 0.00 O ATOM 815 CB VAL A 54 -2.289 4.678 -2.344 1.00 0.00 C ATOM 816 CG1 VAL A 54 -2.595 4.503 -3.823 1.00 0.00 C ATOM 817 CG2 VAL A 54 -1.531 3.475 -1.801 1.00 0.00 C ATOM 0 H VAL A 54 -1.965 6.407 -0.113 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.538 5.906 -2.640 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.235 4.754 -1.809 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.162 3.584 -3.971 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.181 5.352 -4.176 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.662 4.448 -4.384 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.112 2.569 -1.977 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.569 3.393 -2.306 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.369 3.600 -0.730 1.00 0.00 H new ATOM 827 N ASP A 55 -1.989 7.549 -3.877 1.00 0.00 N ATOM 828 CA ASP A 55 -2.679 8.669 -4.508 1.00 0.00 C ATOM 829 C ASP A 55 -2.776 9.854 -3.553 1.00 0.00 C ATOM 830 O ASP A 55 -3.855 10.406 -3.340 1.00 0.00 O ATOM 831 CB ASP A 55 -4.078 8.245 -4.958 1.00 0.00 C ATOM 832 CG ASP A 55 -4.874 7.596 -3.843 1.00 0.00 C ATOM 833 OD1 ASP A 55 -4.751 6.367 -3.664 1.00 0.00 O ATOM 834 OD2 ASP A 55 -5.621 8.318 -3.149 1.00 0.00 O ATOM 0 H ASP A 55 -1.278 7.109 -4.461 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.102 8.975 -5.381 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.618 9.118 -5.325 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.992 7.549 -5.792 1.00 0.00 H new ATOM 839 N GLY A 56 -1.641 10.241 -2.980 1.00 0.00 N ATOM 840 CA GLY A 56 -1.620 11.358 -2.054 1.00 0.00 C ATOM 841 C GLY A 56 -2.680 11.239 -0.978 1.00 0.00 C ATOM 842 O GLY A 56 -3.134 12.243 -0.428 1.00 0.00 O ATOM 0 H GLY A 56 -0.735 9.801 -3.141 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.637 11.420 -1.586 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.769 12.286 -2.606 1.00 0.00 H new ATOM 846 N THR A 57 -3.080 10.007 -0.676 1.00 0.00 N ATOM 847 CA THR A 57 -4.096 9.760 0.339 1.00 0.00 C ATOM 848 C THR A 57 -3.636 8.697 1.330 1.00 0.00 C ATOM 849 O THR A 57 -3.526 7.519 0.987 1.00 0.00 O ATOM 850 CB THR A 57 -5.426 9.314 -0.295 1.00 0.00 C ATOM 851 OG1 THR A 57 -5.884 10.304 -1.223 1.00 0.00 O ATOM 852 CG2 THR A 57 -6.485 9.085 0.773 1.00 0.00 C ATOM 0 H THR A 57 -2.715 9.165 -1.121 1.00 0.00 H new ATOM 0 HA THR A 57 -4.251 10.701 0.867 1.00 0.00 H new ATOM 0 HB THR A 57 -5.254 8.375 -0.822 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.906 9.921 -2.125 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.416 8.771 0.301 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.147 8.310 1.460 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.652 10.011 1.324 1.00 0.00 H new ATOM 860 N THR A 58 -3.369 9.119 2.562 1.00 0.00 N ATOM 861 CA THR A 58 -2.921 8.203 3.603 1.00 0.00 C ATOM 862 C THR A 58 -4.083 7.385 4.154 1.00 0.00 C ATOM 863 O THR A 58 -4.979 7.921 4.805 1.00 0.00 O ATOM 864 CB THR A 58 -2.244 8.958 4.763 1.00 0.00 C ATOM 865 OG1 THR A 58 -1.217 9.816 4.256 1.00 0.00 O ATOM 866 CG2 THR A 58 -1.648 7.984 5.768 1.00 0.00 C ATOM 0 H THR A 58 -3.455 10.090 2.863 1.00 0.00 H new ATOM 0 HA THR A 58 -2.195 7.533 3.142 1.00 0.00 H new ATOM 0 HB THR A 58 -3.001 9.558 5.268 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.793 10.293 4.999 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.176 8.540 6.578 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.438 7.352 6.174 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.903 7.361 5.273 1.00 0.00 H new ATOM 874 N TYR A 59 -4.062 6.083 3.888 1.00 0.00 N ATOM 875 CA TYR A 59 -5.116 5.191 4.356 1.00 0.00 C ATOM 876 C TYR A 59 -4.680 4.443 5.612 1.00 0.00 C ATOM 877 O TYR A 59 -3.495 4.177 5.808 1.00 0.00 O ATOM 878 CB TYR A 59 -5.492 4.193 3.260 1.00 0.00 C ATOM 879 CG TYR A 59 -5.939 4.847 1.972 1.00 0.00 C ATOM 880 CD1 TYR A 59 -5.015 5.401 1.094 1.00 0.00 C ATOM 881 CD2 TYR A 59 -7.285 4.910 1.632 1.00 0.00 C ATOM 882 CE1 TYR A 59 -5.419 6.001 -0.083 1.00 0.00 C ATOM 883 CE2 TYR A 59 -7.697 5.507 0.456 1.00 0.00 C ATOM 884 CZ TYR A 59 -6.761 6.051 -0.398 1.00 0.00 C ATOM 885 OH TYR A 59 -7.167 6.646 -1.570 1.00 0.00 O ATOM 0 H TYR A 59 -3.327 5.623 3.351 1.00 0.00 H new ATOM 0 HA TYR A 59 -5.988 5.798 4.601 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.634 3.553 3.054 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.291 3.548 3.626 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.963 5.362 1.336 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.021 4.485 2.298 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -4.688 6.429 -0.753 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.747 5.547 0.207 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.438 7.195 -1.928 1.00 0.00 H new ATOM 895 N GLU A 60 -5.647 4.108 6.460 1.00 0.00 N ATOM 896 CA GLU A 60 -5.363 3.392 7.698 1.00 0.00 C ATOM 897 C GLU A 60 -6.486 2.413 8.030 1.00 0.00 C ATOM 898 O GLU A 60 -7.641 2.808 8.191 1.00 0.00 O ATOM 899 CB GLU A 60 -5.173 4.378 8.852 1.00 0.00 C ATOM 900 CG GLU A 60 -4.249 5.536 8.517 1.00 0.00 C ATOM 901 CD GLU A 60 -4.984 6.710 7.900 1.00 0.00 C ATOM 902 OE1 GLU A 60 -6.063 6.491 7.310 1.00 0.00 O ATOM 903 OE2 GLU A 60 -4.481 7.848 8.008 1.00 0.00 O ATOM 0 H GLU A 60 -6.634 4.321 6.312 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.441 2.827 7.558 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.146 4.773 9.145 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.774 3.843 9.714 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.742 5.866 9.424 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.477 5.193 7.828 1.00 0.00 H new ATOM 910 N ALA A 61 -6.138 1.134 8.130 1.00 0.00 N ATOM 911 CA ALA A 61 -7.115 0.099 8.444 1.00 0.00 C ATOM 912 C ALA A 61 -6.534 -0.929 9.409 1.00 0.00 C ATOM 913 O ALA A 61 -5.428 -1.431 9.205 1.00 0.00 O ATOM 914 CB ALA A 61 -7.592 -0.580 7.169 1.00 0.00 C ATOM 0 H ALA A 61 -5.187 0.790 7.998 1.00 0.00 H new ATOM 0 HA ALA A 61 -7.968 0.573 8.930 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.321 -1.351 7.418 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.054 0.159 6.514 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.743 -1.035 6.660 1.00 0.00 H new ATOM 920 N SER A 62 -7.286 -1.239 10.460 1.00 0.00 N ATOM 921 CA SER A 62 -6.844 -2.205 11.458 1.00 0.00 C ATOM 922 C SER A 62 -7.522 -3.555 11.247 1.00 0.00 C ATOM 923 O SER A 62 -8.525 -3.655 10.540 1.00 0.00 O ATOM 924 CB SER A 62 -7.142 -1.688 12.867 1.00 0.00 C ATOM 925 OG SER A 62 -8.516 -1.377 13.016 1.00 0.00 O ATOM 0 H SER A 62 -8.205 -0.835 10.642 1.00 0.00 H new ATOM 0 HA SER A 62 -5.768 -2.337 11.346 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.854 -2.440 13.602 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.541 -0.801 13.067 1.00 0.00 H new ATOM 0 HG SER A 62 -8.681 -1.051 13.925 1.00 0.00 H new ATOM 931 N GLY A 63 -6.967 -4.593 11.865 1.00 0.00 N ATOM 932 CA GLY A 63 -7.530 -5.924 11.732 1.00 0.00 C ATOM 933 C GLY A 63 -7.115 -6.845 12.862 1.00 0.00 C ATOM 934 O GLY A 63 -6.366 -6.461 13.761 1.00 0.00 O ATOM 0 H GLY A 63 -6.137 -4.536 12.456 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.617 -5.854 11.705 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.215 -6.355 10.782 1.00 0.00 H new ATOM 938 N PRO A 64 -7.607 -8.092 12.826 1.00 0.00 N ATOM 939 CA PRO A 64 -7.297 -9.096 13.848 1.00 0.00 C ATOM 940 C PRO A 64 -5.846 -9.562 13.781 1.00 0.00 C ATOM 941 O PRO A 64 -5.291 -10.038 14.771 1.00 0.00 O ATOM 942 CB PRO A 64 -8.245 -10.250 13.512 1.00 0.00 C ATOM 943 CG PRO A 64 -8.527 -10.097 12.057 1.00 0.00 C ATOM 944 CD PRO A 64 -8.505 -8.618 11.784 1.00 0.00 C ATOM 0 HA PRO A 64 -7.423 -8.703 14.857 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.786 -11.215 13.727 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.161 -10.194 14.101 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -7.779 -10.616 11.458 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.495 -10.527 11.800 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.131 -8.400 10.784 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.501 -8.182 11.854 1.00 0.00 H new ATOM 952 N SER A 65 -5.238 -9.422 12.607 1.00 0.00 N ATOM 953 CA SER A 65 -3.853 -9.832 12.410 1.00 0.00 C ATOM 954 C SER A 65 -3.145 -8.902 11.429 1.00 0.00 C ATOM 955 O SER A 65 -3.700 -8.535 10.393 1.00 0.00 O ATOM 956 CB SER A 65 -3.793 -11.273 11.899 1.00 0.00 C ATOM 957 OG SER A 65 -2.495 -11.593 11.429 1.00 0.00 O ATOM 0 H SER A 65 -5.683 -9.028 11.778 1.00 0.00 H new ATOM 0 HA SER A 65 -3.343 -9.774 13.371 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.073 -11.958 12.699 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.518 -11.408 11.096 1.00 0.00 H new ATOM 0 HG SER A 65 -2.482 -12.519 11.109 1.00 0.00 H new ATOM 963 N LYS A 66 -1.916 -8.524 11.763 1.00 0.00 N ATOM 964 CA LYS A 66 -1.130 -7.639 10.913 1.00 0.00 C ATOM 965 C LYS A 66 -1.336 -7.974 9.439 1.00 0.00 C ATOM 966 O LYS A 66 -1.541 -7.085 8.612 1.00 0.00 O ATOM 967 CB LYS A 66 0.356 -7.744 11.267 1.00 0.00 C ATOM 968 CG LYS A 66 1.182 -6.565 10.782 1.00 0.00 C ATOM 969 CD LYS A 66 2.671 -6.845 10.892 1.00 0.00 C ATOM 970 CE LYS A 66 3.111 -6.959 12.343 1.00 0.00 C ATOM 971 NZ LYS A 66 2.988 -8.353 12.853 1.00 0.00 N ATOM 0 H LYS A 66 -1.443 -8.817 12.618 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.468 -6.617 11.086 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.458 -7.828 12.349 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.759 -8.661 10.837 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.928 -6.344 9.745 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.933 -5.680 11.367 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.908 -7.769 10.365 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.229 -6.047 10.403 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.146 -6.629 12.436 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.507 -6.293 12.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.272 -8.385 13.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.702 -8.983 12.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.904 -8.666 13.233 1.00 0.00 H new ATOM 985 N LYS A 67 -1.283 -9.262 9.117 1.00 0.00 N ATOM 986 CA LYS A 67 -1.468 -9.715 7.744 1.00 0.00 C ATOM 987 C LYS A 67 -2.718 -9.095 7.129 1.00 0.00 C ATOM 988 O LYS A 67 -2.633 -8.299 6.193 1.00 0.00 O ATOM 989 CB LYS A 67 -1.568 -11.242 7.698 1.00 0.00 C ATOM 990 CG LYS A 67 -1.979 -11.784 6.340 1.00 0.00 C ATOM 991 CD LYS A 67 -0.776 -12.003 5.439 1.00 0.00 C ATOM 992 CE LYS A 67 -0.352 -10.714 4.753 1.00 0.00 C ATOM 993 NZ LYS A 67 0.481 -10.976 3.546 1.00 0.00 N ATOM 0 H LYS A 67 -1.113 -10.011 9.789 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.603 -9.395 7.163 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -0.604 -11.669 7.974 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.289 -11.573 8.445 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.514 -12.725 6.470 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -2.670 -11.088 5.863 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.054 -12.393 6.027 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.015 -12.755 4.687 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.238 -10.147 4.467 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.209 -10.097 5.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.750 -10.072 3.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.339 -11.495 3.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -0.063 -11.543 2.865 1.00 0.00 H new ATOM 1007 N THR A 68 -3.879 -9.462 7.662 1.00 0.00 N ATOM 1008 CA THR A 68 -5.147 -8.942 7.166 1.00 0.00 C ATOM 1009 C THR A 68 -5.152 -7.417 7.164 1.00 0.00 C ATOM 1010 O THR A 68 -5.660 -6.790 6.235 1.00 0.00 O ATOM 1011 CB THR A 68 -6.331 -9.447 8.011 1.00 0.00 C ATOM 1012 OG1 THR A 68 -6.142 -10.827 8.344 1.00 0.00 O ATOM 1013 CG2 THR A 68 -7.644 -9.276 7.261 1.00 0.00 C ATOM 0 H THR A 68 -3.967 -10.118 8.438 1.00 0.00 H new ATOM 0 HA THR A 68 -5.260 -9.305 6.144 1.00 0.00 H new ATOM 0 HB THR A 68 -6.374 -8.856 8.926 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.898 -11.140 8.883 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.466 -9.640 7.878 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.799 -8.221 7.035 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.609 -9.845 6.332 1.00 0.00 H new ATOM 1021 N ALA A 69 -4.583 -6.827 8.210 1.00 0.00 N ATOM 1022 CA ALA A 69 -4.520 -5.375 8.327 1.00 0.00 C ATOM 1023 C ALA A 69 -4.068 -4.738 7.017 1.00 0.00 C ATOM 1024 O ALA A 69 -4.774 -3.911 6.440 1.00 0.00 O ATOM 1025 CB ALA A 69 -3.586 -4.977 9.460 1.00 0.00 C ATOM 0 H ALA A 69 -4.159 -7.332 8.988 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.522 -5.009 8.552 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.549 -3.890 9.536 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.953 -5.394 10.398 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.586 -5.361 9.259 1.00 0.00 H new ATOM 1031 N LYS A 70 -2.885 -5.128 6.553 1.00 0.00 N ATOM 1032 CA LYS A 70 -2.338 -4.595 5.311 1.00 0.00 C ATOM 1033 C LYS A 70 -3.337 -4.743 4.168 1.00 0.00 C ATOM 1034 O LYS A 70 -3.462 -3.858 3.321 1.00 0.00 O ATOM 1035 CB LYS A 70 -1.032 -5.312 4.957 1.00 0.00 C ATOM 1036 CG LYS A 70 0.203 -4.647 5.538 1.00 0.00 C ATOM 1037 CD LYS A 70 1.316 -5.653 5.781 1.00 0.00 C ATOM 1038 CE LYS A 70 1.936 -6.124 4.474 1.00 0.00 C ATOM 1039 NZ LYS A 70 3.172 -6.922 4.703 1.00 0.00 N ATOM 0 H LYS A 70 -2.287 -5.811 7.018 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.136 -3.534 5.458 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.083 -6.340 5.315 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -0.934 -5.357 3.872 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.554 -3.872 4.857 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.055 -4.155 6.476 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.085 -5.202 6.408 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.921 -6.510 6.327 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.212 -6.725 3.924 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.171 -5.261 3.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.564 -7.224 3.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.873 -6.340 5.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.943 -7.760 5.276 1.00 0.00 H new ATOM 1053 N LEU A 71 -4.047 -5.866 4.151 1.00 0.00 N ATOM 1054 CA LEU A 71 -5.038 -6.129 3.113 1.00 0.00 C ATOM 1055 C LEU A 71 -6.191 -5.133 3.195 1.00 0.00 C ATOM 1056 O LEU A 71 -6.573 -4.527 2.194 1.00 0.00 O ATOM 1057 CB LEU A 71 -5.572 -7.556 3.240 1.00 0.00 C ATOM 1058 CG LEU A 71 -6.607 -7.981 2.197 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -5.950 -8.163 0.837 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -7.305 -9.262 2.630 1.00 0.00 C ATOM 0 H LEU A 71 -3.955 -6.609 4.844 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.552 -6.014 2.144 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.728 -8.244 3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.015 -7.670 4.229 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.356 -7.193 2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.701 -8.465 0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.497 -7.223 0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.180 -8.932 0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.038 -9.550 1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.568 -10.058 2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.809 -9.098 3.582 1.00 0.00 H new ATOM 1072 N HIS A 72 -6.739 -4.968 4.394 1.00 0.00 N ATOM 1073 CA HIS A 72 -7.846 -4.043 4.608 1.00 0.00 C ATOM 1074 C HIS A 72 -7.529 -2.670 4.022 1.00 0.00 C ATOM 1075 O HIS A 72 -8.289 -2.138 3.213 1.00 0.00 O ATOM 1076 CB HIS A 72 -8.151 -3.915 6.101 1.00 0.00 C ATOM 1077 CG HIS A 72 -8.916 -5.076 6.658 1.00 0.00 C ATOM 1078 ND1 HIS A 72 -9.680 -4.994 7.803 1.00 0.00 N ATOM 1079 CD2 HIS A 72 -9.033 -6.351 6.220 1.00 0.00 C ATOM 1080 CE1 HIS A 72 -10.233 -6.169 8.046 1.00 0.00 C ATOM 1081 NE2 HIS A 72 -9.856 -7.010 7.100 1.00 0.00 N ATOM 0 H HIS A 72 -6.435 -5.463 5.233 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.723 -4.442 4.099 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -7.213 -3.813 6.647 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.720 -3.001 6.270 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -8.566 -6.772 5.342 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -10.883 -6.402 8.877 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -10.131 -7.990 7.034 1.00 0.00 H new ATOM 1090 N VAL A 73 -6.400 -2.102 4.436 1.00 0.00 N ATOM 1091 CA VAL A 73 -5.982 -0.792 3.952 1.00 0.00 C ATOM 1092 C VAL A 73 -6.161 -0.681 2.442 1.00 0.00 C ATOM 1093 O VAL A 73 -6.694 0.308 1.941 1.00 0.00 O ATOM 1094 CB VAL A 73 -4.511 -0.506 4.306 1.00 0.00 C ATOM 1095 CG1 VAL A 73 -3.968 0.632 3.456 1.00 0.00 C ATOM 1096 CG2 VAL A 73 -4.372 -0.189 5.788 1.00 0.00 C ATOM 0 H VAL A 73 -5.759 -2.529 5.105 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.616 -0.055 4.445 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.924 -1.399 4.092 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.927 0.819 3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.031 0.361 2.402 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.556 1.532 3.635 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.326 0.011 6.021 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.971 0.689 6.030 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.719 -1.039 6.376 1.00 0.00 H new ATOM 1106 N ALA A 74 -5.711 -1.704 1.722 1.00 0.00 N ATOM 1107 CA ALA A 74 -5.824 -1.723 0.269 1.00 0.00 C ATOM 1108 C ALA A 74 -7.280 -1.619 -0.170 1.00 0.00 C ATOM 1109 O ALA A 74 -7.619 -0.827 -1.050 1.00 0.00 O ATOM 1110 CB ALA A 74 -5.190 -2.987 -0.293 1.00 0.00 C ATOM 0 H ALA A 74 -5.265 -2.530 2.121 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.291 -0.857 -0.123 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.282 -2.988 -1.379 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.136 -3.019 -0.018 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.698 -3.861 0.115 1.00 0.00 H new ATOM 1116 N VAL A 75 -8.139 -2.425 0.447 1.00 0.00 N ATOM 1117 CA VAL A 75 -9.560 -2.424 0.119 1.00 0.00 C ATOM 1118 C VAL A 75 -10.112 -1.003 0.077 1.00 0.00 C ATOM 1119 O VAL A 75 -10.849 -0.639 -0.840 1.00 0.00 O ATOM 1120 CB VAL A 75 -10.371 -3.248 1.136 1.00 0.00 C ATOM 1121 CG1 VAL A 75 -11.852 -3.212 0.793 1.00 0.00 C ATOM 1122 CG2 VAL A 75 -9.861 -4.681 1.188 1.00 0.00 C ATOM 0 H VAL A 75 -7.875 -3.087 1.177 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.658 -2.879 -0.867 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.241 -2.804 2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -12.409 -3.800 1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -12.205 -2.181 0.812 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -12.005 -3.629 -0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.445 -5.249 1.912 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.959 -5.138 0.203 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.813 -4.683 1.486 1.00 0.00 H new ATOM 1132 N LYS A 76 -9.751 -0.204 1.075 1.00 0.00 N ATOM 1133 CA LYS A 76 -10.209 1.178 1.152 1.00 0.00 C ATOM 1134 C LYS A 76 -9.742 1.975 -0.062 1.00 0.00 C ATOM 1135 O LYS A 76 -10.549 2.582 -0.766 1.00 0.00 O ATOM 1136 CB LYS A 76 -9.695 1.836 2.435 1.00 0.00 C ATOM 1137 CG LYS A 76 -10.497 1.468 3.671 1.00 0.00 C ATOM 1138 CD LYS A 76 -9.633 1.485 4.921 1.00 0.00 C ATOM 1139 CE LYS A 76 -10.472 1.685 6.174 1.00 0.00 C ATOM 1140 NZ LYS A 76 -10.953 0.391 6.733 1.00 0.00 N ATOM 0 H LYS A 76 -9.142 -0.490 1.842 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.299 1.173 1.164 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.655 1.549 2.589 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.712 2.919 2.310 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.325 2.167 3.790 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.932 0.477 3.542 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.082 0.548 4.997 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.895 2.284 4.844 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.882 2.208 6.926 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.327 2.320 5.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.829 0.549 7.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.139 -0.275 5.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.227 -0.006 7.363 1.00 0.00 H new ATOM 1154 N VAL A 77 -8.435 1.966 -0.304 1.00 0.00 N ATOM 1155 CA VAL A 77 -7.862 2.685 -1.435 1.00 0.00 C ATOM 1156 C VAL A 77 -8.651 2.419 -2.712 1.00 0.00 C ATOM 1157 O VAL A 77 -9.024 3.348 -3.430 1.00 0.00 O ATOM 1158 CB VAL A 77 -6.390 2.292 -1.662 1.00 0.00 C ATOM 1159 CG1 VAL A 77 -5.753 3.192 -2.711 1.00 0.00 C ATOM 1160 CG2 VAL A 77 -5.615 2.352 -0.355 1.00 0.00 C ATOM 0 H VAL A 77 -7.753 1.468 0.268 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.914 3.747 -1.194 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.358 1.266 -2.030 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.713 2.900 -2.858 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.294 3.094 -3.652 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.795 4.228 -2.375 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.577 2.071 -0.534 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.653 3.365 0.044 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.059 1.662 0.363 1.00 0.00 H new ATOM 1170 N LEU A 78 -8.902 1.145 -2.991 1.00 0.00 N ATOM 1171 CA LEU A 78 -9.648 0.755 -4.182 1.00 0.00 C ATOM 1172 C LEU A 78 -11.036 1.388 -4.187 1.00 0.00 C ATOM 1173 O LEU A 78 -11.489 1.903 -5.209 1.00 0.00 O ATOM 1174 CB LEU A 78 -9.769 -0.768 -4.256 1.00 0.00 C ATOM 1175 CG LEU A 78 -8.456 -1.549 -4.200 1.00 0.00 C ATOM 1176 CD1 LEU A 78 -8.728 -3.044 -4.134 1.00 0.00 C ATOM 1177 CD2 LEU A 78 -7.585 -1.216 -5.402 1.00 0.00 C ATOM 0 H LEU A 78 -8.600 0.364 -2.408 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.103 1.113 -5.055 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.403 -1.102 -3.435 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -10.283 -1.027 -5.181 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.920 -1.257 -3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.782 -3.584 -4.095 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.312 -3.269 -3.241 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.285 -3.352 -5.019 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.655 -1.781 -5.345 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.114 -1.479 -6.318 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.362 -0.149 -5.405 1.00 0.00 H new ATOM 1189 N GLN A 79 -11.703 1.348 -3.039 1.00 0.00 N ATOM 1190 CA GLN A 79 -13.039 1.919 -2.911 1.00 0.00 C ATOM 1191 C GLN A 79 -13.026 3.409 -3.235 1.00 0.00 C ATOM 1192 O GLN A 79 -13.967 3.933 -3.831 1.00 0.00 O ATOM 1193 CB GLN A 79 -13.579 1.696 -1.498 1.00 0.00 C ATOM 1194 CG GLN A 79 -14.052 0.274 -1.245 1.00 0.00 C ATOM 1195 CD GLN A 79 -15.052 0.185 -0.109 1.00 0.00 C ATOM 1196 OE1 GLN A 79 -16.140 0.757 -0.178 1.00 0.00 O ATOM 1197 NE2 GLN A 79 -14.687 -0.535 0.946 1.00 0.00 N ATOM 0 H GLN A 79 -11.341 0.926 -2.184 1.00 0.00 H new ATOM 0 HA GLN A 79 -13.692 1.416 -3.624 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -12.800 1.945 -0.777 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -14.407 2.382 -1.322 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -14.505 -0.121 -2.154 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -13.192 -0.356 -1.017 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -13.775 -0.992 0.961 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -15.318 -0.631 1.741 1.00 0.00 H new ATOM 1206 N ALA A 80 -11.955 4.087 -2.836 1.00 0.00 N ATOM 1207 CA ALA A 80 -11.820 5.517 -3.085 1.00 0.00 C ATOM 1208 C ALA A 80 -11.667 5.803 -4.575 1.00 0.00 C ATOM 1209 O ALA A 80 -12.301 6.712 -5.110 1.00 0.00 O ATOM 1210 CB ALA A 80 -10.633 6.077 -2.314 1.00 0.00 C ATOM 0 H ALA A 80 -11.168 3.669 -2.339 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.729 6.008 -2.739 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -10.544 7.146 -2.509 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.783 5.914 -1.247 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -9.721 5.573 -2.633 1.00 0.00 H new ATOM 1216 N MET A 81 -10.822 5.022 -5.239 1.00 0.00 N ATOM 1217 CA MET A 81 -10.587 5.192 -6.669 1.00 0.00 C ATOM 1218 C MET A 81 -11.825 4.808 -7.472 1.00 0.00 C ATOM 1219 O MET A 81 -12.048 5.318 -8.569 1.00 0.00 O ATOM 1220 CB MET A 81 -9.393 4.347 -7.115 1.00 0.00 C ATOM 1221 CG MET A 81 -8.124 4.623 -6.324 1.00 0.00 C ATOM 1222 SD MET A 81 -6.663 3.876 -7.073 1.00 0.00 S ATOM 1223 CE MET A 81 -6.440 2.443 -6.021 1.00 0.00 C ATOM 0 H MET A 81 -10.289 4.265 -4.811 1.00 0.00 H new ATOM 0 HA MET A 81 -10.368 6.244 -6.854 1.00 0.00 H new ATOM 0 HB2 MET A 81 -9.649 3.292 -7.019 1.00 0.00 H new ATOM 0 HB3 MET A 81 -9.201 4.534 -8.172 1.00 0.00 H new ATOM 0 HG2 MET A 81 -7.977 5.700 -6.245 1.00 0.00 H new ATOM 0 HG3 MET A 81 -8.243 4.242 -5.310 1.00 0.00 H new ATOM 0 HE1 MET A 81 -5.448 2.474 -5.570 1.00 0.00 H new ATOM 0 HE2 MET A 81 -7.196 2.447 -5.236 1.00 0.00 H new ATOM 0 HE3 MET A 81 -6.540 1.535 -6.616 1.00 0.00 H new ATOM 1233 N GLY A 82 -12.629 3.904 -6.918 1.00 0.00 N ATOM 1234 CA GLY A 82 -13.834 3.467 -7.598 1.00 0.00 C ATOM 1235 C GLY A 82 -13.679 2.098 -8.229 1.00 0.00 C ATOM 1236 O GLY A 82 -14.213 1.840 -9.309 1.00 0.00 O ATOM 0 H GLY A 82 -12.467 3.467 -6.011 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.661 3.445 -6.888 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.096 4.192 -8.369 1.00 0.00 H new ATOM 1240 N TYR A 83 -12.947 1.217 -7.556 1.00 0.00 N ATOM 1241 CA TYR A 83 -12.720 -0.132 -8.059 1.00 0.00 C ATOM 1242 C TYR A 83 -13.509 -1.156 -7.249 1.00 0.00 C ATOM 1243 O TYR A 83 -13.794 -0.963 -6.066 1.00 0.00 O ATOM 1244 CB TYR A 83 -11.229 -0.471 -8.018 1.00 0.00 C ATOM 1245 CG TYR A 83 -10.441 0.121 -9.164 1.00 0.00 C ATOM 1246 CD1 TYR A 83 -10.677 -0.279 -10.474 1.00 0.00 C ATOM 1247 CD2 TYR A 83 -9.461 1.079 -8.939 1.00 0.00 C ATOM 1248 CE1 TYR A 83 -9.959 0.258 -11.525 1.00 0.00 C ATOM 1249 CE2 TYR A 83 -8.740 1.623 -9.984 1.00 0.00 C ATOM 1250 CZ TYR A 83 -8.992 1.209 -11.275 1.00 0.00 C ATOM 1251 OH TYR A 83 -8.274 1.747 -12.318 1.00 0.00 O ATOM 0 H TYR A 83 -12.501 1.413 -6.660 1.00 0.00 H new ATOM 0 HA TYR A 83 -13.065 -0.169 -9.092 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -10.810 -0.114 -7.077 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -11.111 -1.555 -8.029 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -11.435 -1.022 -10.674 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -9.259 1.404 -7.929 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -10.154 -0.065 -12.537 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -7.983 2.369 -9.791 1.00 0.00 H new ATOM 0 HH TYR A 83 -7.634 2.403 -11.971 1.00 0.00 H new