USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 790 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 THR OG1 : rot -100:sc= -0.195 USER MOD Set 1.2: A 110 MET CE :methyl 174:sc= -0.212 (180deg=0) USER MOD Set 2.1: A 16 THR OG1 : rot 180:sc= 0.0119 USER MOD Set 2.2: A 39 GLN : amide:sc= -1.9 K(o=-1.9,f=-7.9!) USER MOD Single : A 15 MET CE :methyl -160:sc= -0.488 (180deg=-1.67) USER MOD Single : A 18 GLN : amide:sc= -0.471 K(o=-0.47,f=-1.4) USER MOD Single : A 21 CYS SG : rot 180:sc= -3.39! USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 77:sc= 0.0846 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -143:sc= -4! (180deg=-6.65!) USER MOD Single : A 53 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 GLN :FLIP amide:sc= -4.6! C(o=-6.1!,f=-4.6!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.17 X(o=-0.17,f=-0.43) USER MOD Single : A 70 GLN : amide:sc= -0.0153 X(o=-0.015,f=-0.069) USER MOD Single : A 75 HIS : no HE2:sc= -1.15 K(o=-1.1,f=-1.7) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.0075) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.216 K(o=-0.22,f=-3!) USER MOD Single : A 94 GLN :FLIP amide:sc= -1.53 F(o=-2.5,f=-1.5) USER MOD Single : A 97 LYS NZ :NH3+ 167:sc=-0.00688 (180deg=-0.0958) USER MOD Single : A 116 SER OG : rot 180:sc= 0.00265 USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 TYR OH : rot 15:sc= -1.85! USER MOD ----------------------------------------------------------------- ATOM 171 N ILE A 14 18.472 -19.293 6.458 1.00 0.00 N ATOM 172 CA ILE A 14 17.182 -18.724 6.086 1.00 0.00 C ATOM 173 C ILE A 14 17.329 -17.274 5.640 1.00 0.00 C ATOM 174 O ILE A 14 17.933 -16.458 6.335 1.00 0.00 O ATOM 175 CB ILE A 14 16.179 -18.792 7.253 1.00 0.00 C ATOM 176 CG1 ILE A 14 16.098 -20.217 7.802 1.00 0.00 C ATOM 177 CG2 ILE A 14 14.807 -18.313 6.801 1.00 0.00 C ATOM 178 CD1 ILE A 14 15.749 -20.278 9.273 1.00 0.00 C ATOM 0 HA ILE A 14 16.802 -19.320 5.256 1.00 0.00 H new ATOM 0 HB ILE A 14 16.527 -18.135 8.050 1.00 0.00 H new ATOM 0 HG12 ILE A 14 15.351 -20.774 7.236 1.00 0.00 H new ATOM 0 HG13 ILE A 14 17.055 -20.714 7.643 1.00 0.00 H new ATOM 0 HG21 ILE A 14 14.109 -18.367 7.637 1.00 0.00 H new ATOM 0 HG22 ILE A 14 14.878 -17.282 6.453 1.00 0.00 H new ATOM 0 HG23 ILE A 14 14.450 -18.946 5.989 1.00 0.00 H new ATOM 0 HD11 ILE A 14 15.709 -21.319 9.595 1.00 0.00 H new ATOM 0 HD12 ILE A 14 16.508 -19.749 9.849 1.00 0.00 H new ATOM 0 HD13 ILE A 14 14.778 -19.810 9.436 1.00 0.00 H new ATOM 190 N MET A 15 16.770 -16.958 4.475 1.00 0.00 N ATOM 191 CA MET A 15 16.837 -15.605 3.938 1.00 0.00 C ATOM 192 C MET A 15 15.523 -14.865 4.165 1.00 0.00 C ATOM 193 O MET A 15 14.453 -15.348 3.795 1.00 0.00 O ATOM 194 CB MET A 15 17.162 -15.641 2.443 1.00 0.00 C ATOM 195 CG MET A 15 18.299 -16.588 2.092 1.00 0.00 C ATOM 196 SD MET A 15 17.734 -18.277 1.812 1.00 0.00 S ATOM 197 CE MET A 15 17.199 -18.176 0.105 1.00 0.00 C ATOM 0 H MET A 15 16.266 -17.621 3.886 1.00 0.00 H new ATOM 0 HA MET A 15 17.630 -15.072 4.462 1.00 0.00 H new ATOM 0 HB2 MET A 15 16.269 -15.938 1.892 1.00 0.00 H new ATOM 0 HB3 MET A 15 17.422 -14.636 2.111 1.00 0.00 H new ATOM 0 HG2 MET A 15 18.806 -16.225 1.198 1.00 0.00 H new ATOM 0 HG3 MET A 15 19.033 -16.583 2.898 1.00 0.00 H new ATOM 0 HE1 MET A 15 16.515 -18.997 -0.111 1.00 0.00 H new ATOM 0 HE2 MET A 15 16.690 -17.226 -0.061 1.00 0.00 H new ATOM 0 HE3 MET A 15 18.066 -18.243 -0.553 1.00 0.00 H new ATOM 207 N THR A 16 15.611 -13.687 4.778 1.00 0.00 N ATOM 208 CA THR A 16 14.428 -12.882 5.057 1.00 0.00 C ATOM 209 C THR A 16 14.063 -12.011 3.860 1.00 0.00 C ATOM 210 O THR A 16 14.717 -11.002 3.591 1.00 0.00 O ATOM 211 CB THR A 16 14.641 -11.980 6.288 1.00 0.00 C ATOM 212 OG1 THR A 16 15.070 -12.768 7.404 1.00 0.00 O ATOM 213 CG2 THR A 16 13.359 -11.242 6.644 1.00 0.00 C ATOM 0 H THR A 16 16.488 -13.271 5.090 1.00 0.00 H new ATOM 0 HA THR A 16 13.613 -13.576 5.261 1.00 0.00 H new ATOM 0 HB THR A 16 15.410 -11.246 6.046 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.205 -12.187 8.182 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.532 -10.611 7.516 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.051 -10.621 5.803 1.00 0.00 H new ATOM 0 HG23 THR A 16 12.574 -11.964 6.869 1.00 0.00 H new ATOM 221 N LEU A 17 13.014 -12.404 3.147 1.00 0.00 N ATOM 222 CA LEU A 17 12.560 -11.657 1.978 1.00 0.00 C ATOM 223 C LEU A 17 11.203 -11.011 2.239 1.00 0.00 C ATOM 224 O LEU A 17 10.196 -11.700 2.392 1.00 0.00 O ATOM 225 CB LEU A 17 12.472 -12.580 0.761 1.00 0.00 C ATOM 226 CG LEU A 17 13.724 -13.403 0.451 1.00 0.00 C ATOM 227 CD1 LEU A 17 13.498 -14.277 -0.773 1.00 0.00 C ATOM 228 CD2 LEU A 17 14.923 -12.490 0.243 1.00 0.00 C ATOM 0 H LEU A 17 12.461 -13.235 3.357 1.00 0.00 H new ATOM 0 HA LEU A 17 13.285 -10.869 1.777 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.638 -13.266 0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.234 -11.974 -0.113 1.00 0.00 H new ATOM 0 HG LEU A 17 13.930 -14.052 1.302 1.00 0.00 H new ATOM 0 HD11 LEU A 17 14.399 -14.855 -0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.666 -14.956 -0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.267 -13.647 -1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 17 15.805 -13.092 0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 17 14.727 -11.816 -0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 17 15.098 -11.907 1.147 1.00 0.00 H new ATOM 240 N GLN A 18 11.186 -9.682 2.284 1.00 0.00 N ATOM 241 CA GLN A 18 9.953 -8.942 2.523 1.00 0.00 C ATOM 242 C GLN A 18 9.383 -8.396 1.218 1.00 0.00 C ATOM 243 O GLN A 18 9.818 -7.364 0.707 1.00 0.00 O ATOM 244 CB GLN A 18 10.204 -7.795 3.504 1.00 0.00 C ATOM 245 CG GLN A 18 11.541 -7.101 3.298 1.00 0.00 C ATOM 246 CD GLN A 18 12.660 -7.740 4.097 1.00 0.00 C ATOM 247 OE1 GLN A 18 13.564 -8.359 3.535 1.00 0.00 O ATOM 248 NE2 GLN A 18 12.603 -7.595 5.415 1.00 0.00 N ATOM 0 H GLN A 18 12.012 -9.097 2.158 1.00 0.00 H new ATOM 0 HA GLN A 18 9.225 -9.628 2.956 1.00 0.00 H new ATOM 0 HB2 GLN A 18 9.404 -7.061 3.405 1.00 0.00 H new ATOM 0 HB3 GLN A 18 10.158 -8.182 4.522 1.00 0.00 H new ATOM 0 HG2 GLN A 18 11.798 -7.123 2.239 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.449 -6.053 3.582 1.00 0.00 H new ATOM 0 HE21 GLN A 18 11.835 -7.074 5.838 1.00 0.00 H new ATOM 0 HE22 GLN A 18 13.327 -8.005 6.005 1.00 0.00 H new ATOM 257 N PRO A 19 8.387 -9.103 0.665 1.00 0.00 N ATOM 258 CA PRO A 19 7.736 -8.708 -0.588 1.00 0.00 C ATOM 259 C PRO A 19 6.887 -7.451 -0.429 1.00 0.00 C ATOM 260 O PRO A 19 5.729 -7.522 -0.016 1.00 0.00 O ATOM 261 CB PRO A 19 6.852 -9.912 -0.923 1.00 0.00 C ATOM 262 CG PRO A 19 6.584 -10.563 0.389 1.00 0.00 C ATOM 263 CD PRO A 19 7.818 -10.343 1.220 1.00 0.00 C ATOM 0 HA PRO A 19 8.461 -8.465 -1.365 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.926 -9.601 -1.407 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.356 -10.594 -1.608 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.708 -10.128 0.869 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.383 -11.627 0.263 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.576 -10.236 2.277 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.514 -11.178 1.135 1.00 0.00 H new ATOM 271 N ARG A 20 7.470 -6.303 -0.758 1.00 0.00 N ATOM 272 CA ARG A 20 6.767 -5.031 -0.650 1.00 0.00 C ATOM 273 C ARG A 20 6.404 -4.492 -2.030 1.00 0.00 C ATOM 274 O ARG A 20 7.204 -4.562 -2.965 1.00 0.00 O ATOM 275 CB ARG A 20 7.626 -4.010 0.098 1.00 0.00 C ATOM 276 CG ARG A 20 7.276 -2.567 -0.225 1.00 0.00 C ATOM 277 CD ARG A 20 8.293 -1.602 0.368 1.00 0.00 C ATOM 278 NE ARG A 20 8.737 -2.022 1.693 1.00 0.00 N ATOM 279 CZ ARG A 20 9.865 -1.605 2.256 1.00 0.00 C ATOM 280 NH1 ARG A 20 10.658 -0.759 1.612 1.00 0.00 N ATOM 281 NH2 ARG A 20 10.202 -2.032 3.467 1.00 0.00 N ATOM 0 H ARG A 20 8.427 -6.228 -1.102 1.00 0.00 H new ATOM 0 HA ARG A 20 5.847 -5.200 -0.091 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.515 -4.171 1.170 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.675 -4.184 -0.144 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.234 -2.435 -1.306 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.284 -2.336 0.163 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.154 -1.529 -0.297 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.854 -0.606 0.431 1.00 0.00 H new ATOM 0 HE ARG A 20 8.149 -2.671 2.215 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.402 -0.427 0.682 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.524 -0.440 2.047 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.594 -2.681 3.966 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.069 -1.711 3.898 1.00 0.00 H new ATOM 295 N CYS A 21 5.195 -3.955 -2.152 1.00 0.00 N ATOM 296 CA CYS A 21 4.726 -3.405 -3.419 1.00 0.00 C ATOM 297 C CYS A 21 4.177 -1.995 -3.230 1.00 0.00 C ATOM 298 O CYS A 21 3.578 -1.685 -2.200 1.00 0.00 O ATOM 299 CB CYS A 21 3.650 -4.307 -4.024 1.00 0.00 C ATOM 300 SG CYS A 21 3.640 -4.336 -5.831 1.00 0.00 S ATOM 0 H CYS A 21 4.522 -3.889 -1.389 1.00 0.00 H new ATOM 0 HA CYS A 21 5.575 -3.357 -4.101 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.794 -5.323 -3.656 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.673 -3.976 -3.671 1.00 0.00 H new ATOM 0 HG CYS A 21 2.697 -5.128 -6.247 1.00 0.00 H new ATOM 306 N GLU A 22 4.387 -1.144 -4.229 1.00 0.00 N ATOM 307 CA GLU A 22 3.915 0.235 -4.171 1.00 0.00 C ATOM 308 C GLU A 22 3.143 0.600 -5.435 1.00 0.00 C ATOM 309 O GLU A 22 3.502 0.183 -6.536 1.00 0.00 O ATOM 310 CB GLU A 22 5.093 1.193 -3.984 1.00 0.00 C ATOM 311 CG GLU A 22 5.954 0.872 -2.774 1.00 0.00 C ATOM 312 CD GLU A 22 7.399 1.291 -2.958 1.00 0.00 C ATOM 313 OE1 GLU A 22 7.946 1.071 -4.060 1.00 0.00 O ATOM 314 OE2 GLU A 22 7.984 1.841 -2.001 1.00 0.00 O ATOM 0 H GLU A 22 4.881 -1.385 -5.088 1.00 0.00 H new ATOM 0 HA GLU A 22 3.243 0.326 -3.318 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.715 1.169 -4.879 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.712 2.210 -3.888 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.543 1.373 -1.897 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.913 -0.199 -2.577 1.00 0.00 H new ATOM 321 N ASP A 23 2.080 1.379 -5.268 1.00 0.00 N ATOM 322 CA ASP A 23 1.257 1.801 -6.395 1.00 0.00 C ATOM 323 C ASP A 23 0.508 0.616 -6.995 1.00 0.00 C ATOM 324 O ASP A 23 0.590 0.360 -8.197 1.00 0.00 O ATOM 325 CB ASP A 23 2.123 2.468 -7.465 1.00 0.00 C ATOM 326 CG ASP A 23 3.335 3.164 -6.878 1.00 0.00 C ATOM 327 OD1 ASP A 23 3.151 4.058 -6.025 1.00 0.00 O ATOM 328 OD2 ASP A 23 4.468 2.815 -7.272 1.00 0.00 O ATOM 0 H ASP A 23 1.768 1.731 -4.363 1.00 0.00 H new ATOM 0 HA ASP A 23 0.526 2.522 -6.029 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.452 1.716 -8.183 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.522 3.193 -8.015 1.00 0.00 H new ATOM 333 N VAL A 24 -0.220 -0.106 -6.150 1.00 0.00 N ATOM 334 CA VAL A 24 -0.984 -1.266 -6.597 1.00 0.00 C ATOM 335 C VAL A 24 -2.475 -1.073 -6.344 1.00 0.00 C ATOM 336 O VAL A 24 -2.952 -1.254 -5.224 1.00 0.00 O ATOM 337 CB VAL A 24 -0.518 -2.551 -5.890 1.00 0.00 C ATOM 338 CG1 VAL A 24 0.958 -2.803 -6.159 1.00 0.00 C ATOM 339 CG2 VAL A 24 -0.788 -2.466 -4.394 1.00 0.00 C ATOM 0 H VAL A 24 -0.297 0.091 -5.152 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.810 -1.366 -7.668 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.085 -3.391 -6.291 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.270 -3.716 -5.651 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.119 -2.911 -7.232 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.544 -1.963 -5.787 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.452 -3.383 -3.911 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.249 -1.617 -3.975 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.857 -2.337 -4.224 1.00 0.00 H new ATOM 349 N GLU A 25 -3.205 -0.703 -7.391 1.00 0.00 N ATOM 350 CA GLU A 25 -4.643 -0.485 -7.282 1.00 0.00 C ATOM 351 C GLU A 25 -5.355 -1.762 -6.846 1.00 0.00 C ATOM 352 O GLU A 25 -5.116 -2.839 -7.393 1.00 0.00 O ATOM 353 CB GLU A 25 -5.211 -0.002 -8.618 1.00 0.00 C ATOM 354 CG GLU A 25 -4.621 1.316 -9.089 1.00 0.00 C ATOM 355 CD GLU A 25 -5.494 2.014 -10.113 1.00 0.00 C ATOM 356 OE1 GLU A 25 -6.616 2.426 -9.753 1.00 0.00 O ATOM 357 OE2 GLU A 25 -5.056 2.147 -11.275 1.00 0.00 O ATOM 0 H GLU A 25 -2.825 -0.548 -8.325 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.812 0.281 -6.526 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.030 -0.763 -9.377 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.292 0.106 -8.526 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.478 1.973 -8.231 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.636 1.135 -9.520 1.00 0.00 H new ATOM 364 N THR A 26 -6.232 -1.634 -5.855 1.00 0.00 N ATOM 365 CA THR A 26 -6.979 -2.777 -5.344 1.00 0.00 C ATOM 366 C THR A 26 -8.104 -3.169 -6.294 1.00 0.00 C ATOM 367 O THR A 26 -8.381 -2.467 -7.265 1.00 0.00 O ATOM 368 CB THR A 26 -7.576 -2.483 -3.955 1.00 0.00 C ATOM 369 OG1 THR A 26 -8.385 -1.303 -4.010 1.00 0.00 O ATOM 370 CG2 THR A 26 -6.475 -2.299 -2.920 1.00 0.00 C ATOM 0 H THR A 26 -6.442 -0.751 -5.390 1.00 0.00 H new ATOM 0 HA THR A 26 -6.273 -3.603 -5.261 1.00 0.00 H new ATOM 0 HB THR A 26 -8.191 -3.333 -3.661 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.762 -1.123 -3.124 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.921 -2.092 -1.947 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.877 -3.208 -2.859 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.837 -1.464 -3.211 1.00 0.00 H new ATOM 378 N ALA A 27 -8.749 -4.296 -6.008 1.00 0.00 N ATOM 379 CA ALA A 27 -9.846 -4.780 -6.837 1.00 0.00 C ATOM 380 C ALA A 27 -10.658 -3.620 -7.404 1.00 0.00 C ATOM 381 O ALA A 27 -10.713 -3.426 -8.618 1.00 0.00 O ATOM 382 CB ALA A 27 -10.743 -5.711 -6.034 1.00 0.00 C ATOM 0 H ALA A 27 -8.530 -4.890 -5.208 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.420 -5.335 -7.673 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.558 -6.065 -6.665 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.161 -6.562 -5.681 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.153 -5.173 -5.179 1.00 0.00 H new ATOM 388 N GLU A 28 -11.286 -2.854 -6.519 1.00 0.00 N ATOM 389 CA GLU A 28 -12.096 -1.715 -6.934 1.00 0.00 C ATOM 390 C GLU A 28 -11.277 -0.744 -7.781 1.00 0.00 C ATOM 391 O GLU A 28 -11.683 -0.370 -8.880 1.00 0.00 O ATOM 392 CB GLU A 28 -12.660 -0.989 -5.710 1.00 0.00 C ATOM 393 CG GLU A 28 -11.608 -0.632 -4.675 1.00 0.00 C ATOM 394 CD GLU A 28 -12.206 -0.323 -3.316 1.00 0.00 C ATOM 395 OE1 GLU A 28 -12.680 -1.267 -2.649 1.00 0.00 O ATOM 396 OE2 GLU A 28 -12.201 0.860 -2.920 1.00 0.00 O ATOM 0 H GLU A 28 -11.250 -3.001 -5.510 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.922 -2.091 -7.538 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.159 -0.077 -6.037 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.418 -1.618 -5.243 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.904 -1.459 -4.578 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.040 0.231 -5.023 1.00 0.00 H new ATOM 403 N GLY A 29 -10.123 -0.342 -7.259 1.00 0.00 N ATOM 404 CA GLY A 29 -9.265 0.581 -7.979 1.00 0.00 C ATOM 405 C GLY A 29 -8.599 1.589 -7.064 1.00 0.00 C ATOM 406 O GLY A 29 -8.558 2.782 -7.367 1.00 0.00 O ATOM 0 H GLY A 29 -9.767 -0.639 -6.351 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.499 0.019 -8.513 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.854 1.109 -8.729 1.00 0.00 H new ATOM 410 N VAL A 30 -8.078 1.110 -5.939 1.00 0.00 N ATOM 411 CA VAL A 30 -7.412 1.978 -4.975 1.00 0.00 C ATOM 412 C VAL A 30 -5.965 1.549 -4.759 1.00 0.00 C ATOM 413 O VAL A 30 -5.698 0.448 -4.280 1.00 0.00 O ATOM 414 CB VAL A 30 -8.144 1.978 -3.620 1.00 0.00 C ATOM 415 CG1 VAL A 30 -7.418 2.867 -2.621 1.00 0.00 C ATOM 416 CG2 VAL A 30 -9.587 2.426 -3.795 1.00 0.00 C ATOM 0 H VAL A 30 -8.104 0.126 -5.673 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.432 2.986 -5.389 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.148 0.961 -3.228 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.950 2.855 -1.670 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.403 2.497 -2.475 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.380 3.887 -3.002 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.090 2.420 -2.828 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.607 3.434 -4.208 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.100 1.745 -4.474 1.00 0.00 H new ATOM 426 N ALA A 31 -5.033 2.428 -5.114 1.00 0.00 N ATOM 427 CA ALA A 31 -3.613 2.142 -4.957 1.00 0.00 C ATOM 428 C ALA A 31 -3.216 2.128 -3.485 1.00 0.00 C ATOM 429 O ALA A 31 -3.338 3.137 -2.789 1.00 0.00 O ATOM 430 CB ALA A 31 -2.782 3.163 -5.721 1.00 0.00 C ATOM 0 H ALA A 31 -5.237 3.345 -5.512 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.419 1.151 -5.368 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.723 2.938 -5.595 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.038 3.122 -6.780 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.989 4.162 -5.336 1.00 0.00 H new ATOM 436 N LEU A 32 -2.741 0.979 -3.017 1.00 0.00 N ATOM 437 CA LEU A 32 -2.326 0.833 -1.626 1.00 0.00 C ATOM 438 C LEU A 32 -0.847 0.475 -1.533 1.00 0.00 C ATOM 439 O LEU A 32 -0.249 0.003 -2.502 1.00 0.00 O ATOM 440 CB LEU A 32 -3.167 -0.241 -0.932 1.00 0.00 C ATOM 441 CG LEU A 32 -4.395 0.258 -0.169 1.00 0.00 C ATOM 442 CD1 LEU A 32 -3.999 1.315 0.849 1.00 0.00 C ATOM 443 CD2 LEU A 32 -5.436 0.807 -1.134 1.00 0.00 C ATOM 0 H LEU A 32 -2.634 0.135 -3.580 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.482 1.788 -1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.498 -0.958 -1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.526 -0.782 -0.236 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.833 -0.585 0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.886 1.658 1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.291 0.889 1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.535 2.158 0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.303 1.157 -0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.008 1.637 -1.697 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.744 0.021 -1.823 1.00 0.00 H new ATOM 455 N THR A 33 -0.261 0.699 -0.362 1.00 0.00 N ATOM 456 CA THR A 33 1.149 0.400 -0.143 1.00 0.00 C ATOM 457 C THR A 33 1.326 -0.624 0.973 1.00 0.00 C ATOM 458 O THR A 33 1.241 -0.289 2.156 1.00 0.00 O ATOM 459 CB THR A 33 1.945 1.670 0.211 1.00 0.00 C ATOM 460 OG1 THR A 33 1.663 2.704 -0.738 1.00 0.00 O ATOM 461 CG2 THR A 33 3.440 1.385 0.228 1.00 0.00 C ATOM 0 H THR A 33 -0.741 1.087 0.450 1.00 0.00 H new ATOM 0 HA THR A 33 1.533 -0.012 -1.076 1.00 0.00 H new ATOM 0 HB THR A 33 1.642 1.997 1.206 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.171 3.509 -0.505 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.981 2.297 0.480 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.656 0.617 0.971 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.755 1.036 -0.755 1.00 0.00 H new ATOM 469 N VAL A 34 1.573 -1.873 0.591 1.00 0.00 N ATOM 470 CA VAL A 34 1.764 -2.946 1.560 1.00 0.00 C ATOM 471 C VAL A 34 3.222 -3.385 1.613 1.00 0.00 C ATOM 472 O VAL A 34 3.800 -3.783 0.600 1.00 0.00 O ATOM 473 CB VAL A 34 0.883 -4.165 1.228 1.00 0.00 C ATOM 474 CG1 VAL A 34 1.256 -5.348 2.108 1.00 0.00 C ATOM 475 CG2 VAL A 34 -0.590 -3.816 1.385 1.00 0.00 C ATOM 0 H VAL A 34 1.646 -2.167 -0.383 1.00 0.00 H new ATOM 0 HA VAL A 34 1.472 -2.550 2.533 1.00 0.00 H new ATOM 0 HB VAL A 34 1.057 -4.446 0.189 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.623 -6.200 1.859 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.301 -5.611 1.941 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.112 -5.082 3.155 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.198 -4.689 1.147 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.784 -3.509 2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.845 -3.000 0.708 1.00 0.00 H new ATOM 485 N THR A 35 3.814 -3.312 2.801 1.00 0.00 N ATOM 486 CA THR A 35 5.206 -3.702 2.986 1.00 0.00 C ATOM 487 C THR A 35 5.367 -5.216 2.923 1.00 0.00 C ATOM 488 O THR A 35 6.241 -5.729 2.225 1.00 0.00 O ATOM 489 CB THR A 35 5.757 -3.195 4.332 1.00 0.00 C ATOM 490 OG1 THR A 35 5.664 -1.767 4.394 1.00 0.00 O ATOM 491 CG2 THR A 35 7.205 -3.621 4.520 1.00 0.00 C ATOM 0 H THR A 35 3.351 -2.986 3.649 1.00 0.00 H new ATOM 0 HA THR A 35 5.772 -3.245 2.174 1.00 0.00 H new ATOM 0 HB THR A 35 5.159 -3.633 5.131 1.00 0.00 H new ATOM 0 HG1 THR A 35 4.738 -1.507 4.581 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.572 -3.251 5.478 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.269 -4.709 4.502 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.813 -3.209 3.715 1.00 0.00 H new ATOM 499 N GLY A 36 4.515 -5.928 3.654 1.00 0.00 N ATOM 500 CA GLY A 36 4.579 -7.378 3.666 1.00 0.00 C ATOM 501 C GLY A 36 5.908 -7.896 4.179 1.00 0.00 C ATOM 502 O GLY A 36 6.950 -7.275 3.962 1.00 0.00 O ATOM 0 H GLY A 36 3.781 -5.527 4.238 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.775 -7.769 4.290 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.411 -7.754 2.657 1.00 0.00 H new ATOM 506 N VAL A 37 5.874 -9.034 4.863 1.00 0.00 N ATOM 507 CA VAL A 37 7.086 -9.636 5.408 1.00 0.00 C ATOM 508 C VAL A 37 6.953 -11.151 5.503 1.00 0.00 C ATOM 509 O VAL A 37 6.025 -11.666 6.128 1.00 0.00 O ATOM 510 CB VAL A 37 7.412 -9.071 6.804 1.00 0.00 C ATOM 511 CG1 VAL A 37 8.319 -10.025 7.566 1.00 0.00 C ATOM 512 CG2 VAL A 37 8.049 -7.695 6.687 1.00 0.00 C ATOM 0 H VAL A 37 5.020 -9.559 5.054 1.00 0.00 H new ATOM 0 HA VAL A 37 7.898 -9.389 4.724 1.00 0.00 H new ATOM 0 HB VAL A 37 6.481 -8.968 7.362 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.539 -9.610 8.550 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.820 -10.987 7.681 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.249 -10.162 7.014 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.272 -7.312 7.683 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.972 -7.769 6.111 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.360 -7.017 6.183 1.00 0.00 H new ATOM 522 N ALA A 38 7.887 -11.861 4.879 1.00 0.00 N ATOM 523 CA ALA A 38 7.876 -13.319 4.894 1.00 0.00 C ATOM 524 C ALA A 38 9.291 -13.877 4.995 1.00 0.00 C ATOM 525 O ALA A 38 10.264 -13.184 4.697 1.00 0.00 O ATOM 526 CB ALA A 38 7.181 -13.854 3.651 1.00 0.00 C ATOM 0 H ALA A 38 8.661 -11.450 4.357 1.00 0.00 H new ATOM 0 HA ALA A 38 7.322 -13.645 5.774 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.180 -14.944 3.675 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.154 -13.491 3.624 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.711 -13.511 2.762 1.00 0.00 H new ATOM 532 N GLN A 39 9.398 -15.133 5.416 1.00 0.00 N ATOM 533 CA GLN A 39 10.696 -15.783 5.557 1.00 0.00 C ATOM 534 C GLN A 39 10.836 -16.936 4.567 1.00 0.00 C ATOM 535 O GLN A 39 9.857 -17.600 4.230 1.00 0.00 O ATOM 536 CB GLN A 39 10.881 -16.295 6.986 1.00 0.00 C ATOM 537 CG GLN A 39 12.337 -16.479 7.383 1.00 0.00 C ATOM 538 CD GLN A 39 13.002 -15.176 7.779 1.00 0.00 C ATOM 539 OE1 GLN A 39 12.626 -14.104 7.304 1.00 0.00 O ATOM 540 NE2 GLN A 39 13.998 -15.261 8.653 1.00 0.00 N ATOM 0 H GLN A 39 8.602 -15.721 5.665 1.00 0.00 H new ATOM 0 HA GLN A 39 11.470 -15.046 5.341 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.410 -15.596 7.677 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.361 -17.247 7.092 1.00 0.00 H new ATOM 0 HG2 GLN A 39 12.397 -17.181 8.215 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.883 -16.923 6.551 1.00 0.00 H new ATOM 0 HE21 GLN A 39 14.277 -16.170 9.021 1.00 0.00 H new ATOM 0 HE22 GLN A 39 14.484 -14.417 8.956 1.00 0.00 H new ATOM 549 N VAL A 40 12.062 -17.169 4.108 1.00 0.00 N ATOM 550 CA VAL A 40 12.332 -18.241 3.159 1.00 0.00 C ATOM 551 C VAL A 40 13.714 -18.844 3.389 1.00 0.00 C ATOM 552 O VAL A 40 14.584 -18.219 3.995 1.00 0.00 O ATOM 553 CB VAL A 40 12.238 -17.742 1.705 1.00 0.00 C ATOM 554 CG1 VAL A 40 13.439 -16.875 1.360 1.00 0.00 C ATOM 555 CG2 VAL A 40 12.123 -18.915 0.745 1.00 0.00 C ATOM 0 H VAL A 40 12.884 -16.629 4.379 1.00 0.00 H new ATOM 0 HA VAL A 40 11.573 -19.006 3.322 1.00 0.00 H new ATOM 0 HB VAL A 40 11.340 -17.133 1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.356 -16.531 0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 40 13.470 -16.014 2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.353 -17.457 1.476 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.058 -18.543 -0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.001 -19.553 0.844 1.00 0.00 H new ATOM 0 HG23 VAL A 40 11.228 -19.491 0.980 1.00 0.00 H new ATOM 565 N LYS A 41 13.909 -20.065 2.901 1.00 0.00 N ATOM 566 CA LYS A 41 15.185 -20.754 3.052 1.00 0.00 C ATOM 567 C LYS A 41 15.437 -21.692 1.876 1.00 0.00 C ATOM 568 O LYS A 41 14.500 -22.147 1.220 1.00 0.00 O ATOM 569 CB LYS A 41 15.210 -21.544 4.362 1.00 0.00 C ATOM 570 CG LYS A 41 14.297 -22.758 4.359 1.00 0.00 C ATOM 571 CD LYS A 41 14.775 -23.818 5.338 1.00 0.00 C ATOM 572 CE LYS A 41 13.909 -25.066 5.274 1.00 0.00 C ATOM 573 NZ LYS A 41 14.588 -26.243 5.882 1.00 0.00 N ATOM 0 H LYS A 41 13.199 -20.597 2.398 1.00 0.00 H new ATOM 0 HA LYS A 41 15.975 -20.004 3.073 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.231 -21.869 4.561 1.00 0.00 H new ATOM 0 HB3 LYS A 41 14.920 -20.884 5.180 1.00 0.00 H new ATOM 0 HG2 LYS A 41 13.283 -22.453 4.618 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.256 -23.181 3.355 1.00 0.00 H new ATOM 0 HD2 LYS A 41 15.810 -24.080 5.116 1.00 0.00 H new ATOM 0 HD3 LYS A 41 14.759 -23.414 6.350 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.968 -24.882 5.792 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.663 -25.285 4.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.966 -27.074 5.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 15.474 -26.435 5.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 14.800 -26.044 6.881 1.00 0.00 H new ATOM 587 N ILE A 42 16.709 -21.977 1.616 1.00 0.00 N ATOM 588 CA ILE A 42 17.084 -22.863 0.520 1.00 0.00 C ATOM 589 C ILE A 42 16.913 -24.326 0.914 1.00 0.00 C ATOM 590 O ILE A 42 17.574 -24.814 1.830 1.00 0.00 O ATOM 591 CB ILE A 42 18.541 -22.629 0.080 1.00 0.00 C ATOM 592 CG1 ILE A 42 18.699 -21.224 -0.508 1.00 0.00 C ATOM 593 CG2 ILE A 42 18.965 -23.683 -0.931 1.00 0.00 C ATOM 594 CD1 ILE A 42 17.795 -20.960 -1.691 1.00 0.00 C ATOM 0 H ILE A 42 17.497 -21.608 2.149 1.00 0.00 H new ATOM 0 HA ILE A 42 16.420 -22.633 -0.313 1.00 0.00 H new ATOM 0 HB ILE A 42 19.187 -22.712 0.954 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.492 -20.488 0.269 1.00 0.00 H new ATOM 0 HG13 ILE A 42 19.735 -21.081 -0.814 1.00 0.00 H new ATOM 0 HG21 ILE A 42 19.997 -23.504 -1.232 1.00 0.00 H new ATOM 0 HG22 ILE A 42 18.885 -24.672 -0.480 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.317 -23.629 -1.806 1.00 0.00 H new ATOM 0 HD11 ILE A 42 17.960 -19.946 -2.056 1.00 0.00 H new ATOM 0 HD12 ILE A 42 18.018 -21.673 -2.485 1.00 0.00 H new ATOM 0 HD13 ILE A 42 16.755 -21.070 -1.386 1.00 0.00 H new ATOM 606 N MET A 43 16.024 -25.022 0.213 1.00 0.00 N ATOM 607 CA MET A 43 15.768 -26.432 0.487 1.00 0.00 C ATOM 608 C MET A 43 17.078 -27.200 0.647 1.00 0.00 C ATOM 609 O MET A 43 18.159 -26.662 0.407 1.00 0.00 O ATOM 610 CB MET A 43 14.935 -27.049 -0.637 1.00 0.00 C ATOM 611 CG MET A 43 13.473 -26.630 -0.610 1.00 0.00 C ATOM 612 SD MET A 43 12.433 -27.674 -1.648 1.00 0.00 S ATOM 613 CE MET A 43 11.043 -26.583 -1.939 1.00 0.00 C ATOM 0 H MET A 43 15.469 -24.633 -0.549 1.00 0.00 H new ATOM 0 HA MET A 43 15.210 -26.500 1.421 1.00 0.00 H new ATOM 0 HB2 MET A 43 15.368 -26.766 -1.596 1.00 0.00 H new ATOM 0 HB3 MET A 43 14.995 -28.135 -0.568 1.00 0.00 H new ATOM 0 HG2 MET A 43 13.108 -26.666 0.416 1.00 0.00 H new ATOM 0 HG3 MET A 43 13.389 -25.595 -0.942 1.00 0.00 H new ATOM 0 HE1 MET A 43 10.121 -27.164 -1.949 1.00 0.00 H new ATOM 0 HE2 MET A 43 10.994 -25.837 -1.146 1.00 0.00 H new ATOM 0 HE3 MET A 43 11.168 -26.083 -2.900 1.00 0.00 H new ATOM 737 N VAL A 51 17.998 -29.301 -9.447 1.00 0.00 N ATOM 738 CA VAL A 51 17.026 -28.326 -9.927 1.00 0.00 C ATOM 739 C VAL A 51 17.360 -26.925 -9.426 1.00 0.00 C ATOM 740 O VAL A 51 17.203 -25.943 -10.150 1.00 0.00 O ATOM 741 CB VAL A 51 15.597 -28.691 -9.481 1.00 0.00 C ATOM 742 CG1 VAL A 51 15.497 -28.699 -7.964 1.00 0.00 C ATOM 743 CG2 VAL A 51 14.588 -27.727 -10.086 1.00 0.00 C ATOM 0 HA VAL A 51 17.074 -28.341 -11.016 1.00 0.00 H new ATOM 0 HB VAL A 51 15.367 -29.694 -9.841 1.00 0.00 H new ATOM 0 HG11 VAL A 51 14.481 -28.959 -7.668 1.00 0.00 H new ATOM 0 HG12 VAL A 51 16.192 -29.433 -7.557 1.00 0.00 H new ATOM 0 HG13 VAL A 51 15.746 -27.711 -7.578 1.00 0.00 H new ATOM 0 HG21 VAL A 51 13.584 -28.000 -9.761 1.00 0.00 H new ATOM 0 HG22 VAL A 51 14.813 -26.712 -9.758 1.00 0.00 H new ATOM 0 HG23 VAL A 51 14.643 -27.778 -11.173 1.00 0.00 H new ATOM 753 N ALA A 52 17.823 -26.842 -8.183 1.00 0.00 N ATOM 754 CA ALA A 52 18.181 -25.562 -7.587 1.00 0.00 C ATOM 755 C ALA A 52 19.688 -25.454 -7.384 1.00 0.00 C ATOM 756 O ALA A 52 20.164 -24.600 -6.634 1.00 0.00 O ATOM 757 CB ALA A 52 17.453 -25.373 -6.264 1.00 0.00 C ATOM 0 H ALA A 52 17.959 -27.646 -7.570 1.00 0.00 H new ATOM 0 HA ALA A 52 17.875 -24.772 -8.273 1.00 0.00 H new ATOM 0 HB1 ALA A 52 17.730 -24.412 -5.830 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.377 -25.397 -6.434 1.00 0.00 H new ATOM 0 HB3 ALA A 52 17.730 -26.174 -5.579 1.00 0.00 H new ATOM 763 N CYS A 53 20.435 -26.324 -8.053 1.00 0.00 N ATOM 764 CA CYS A 53 21.890 -26.328 -7.945 1.00 0.00 C ATOM 765 C CYS A 53 22.520 -25.502 -9.061 1.00 0.00 C ATOM 766 O CYS A 53 23.710 -25.189 -9.018 1.00 0.00 O ATOM 767 CB CYS A 53 22.422 -27.761 -7.992 1.00 0.00 C ATOM 768 SG CYS A 53 22.369 -28.622 -6.402 1.00 0.00 S ATOM 0 H CYS A 53 20.057 -27.037 -8.677 1.00 0.00 H new ATOM 0 HA CYS A 53 22.160 -25.879 -6.989 1.00 0.00 H new ATOM 0 HB2 CYS A 53 21.842 -28.329 -8.720 1.00 0.00 H new ATOM 0 HB3 CYS A 53 23.452 -27.743 -8.349 1.00 0.00 H new ATOM 0 HG CYS A 53 22.837 -29.826 -6.545 1.00 0.00 H new ATOM 774 N GLU A 54 21.715 -25.153 -10.060 1.00 0.00 N ATOM 775 CA GLU A 54 22.196 -24.364 -11.188 1.00 0.00 C ATOM 776 C GLU A 54 21.384 -23.082 -11.342 1.00 0.00 C ATOM 777 O GLU A 54 21.800 -22.151 -12.030 1.00 0.00 O ATOM 778 CB GLU A 54 22.125 -25.185 -12.478 1.00 0.00 C ATOM 779 CG GLU A 54 21.043 -26.251 -12.463 1.00 0.00 C ATOM 780 CD GLU A 54 19.663 -25.684 -12.737 1.00 0.00 C ATOM 781 OE1 GLU A 54 19.570 -24.688 -13.483 1.00 0.00 O ATOM 782 OE2 GLU A 54 18.678 -26.238 -12.205 1.00 0.00 O ATOM 0 H GLU A 54 20.728 -25.404 -10.111 1.00 0.00 H new ATOM 0 HA GLU A 54 23.234 -24.093 -10.994 1.00 0.00 H new ATOM 0 HB2 GLU A 54 21.949 -24.512 -13.317 1.00 0.00 H new ATOM 0 HB3 GLU A 54 23.090 -25.662 -12.649 1.00 0.00 H new ATOM 0 HG2 GLU A 54 21.275 -27.010 -13.210 1.00 0.00 H new ATOM 0 HG3 GLU A 54 21.042 -26.749 -11.493 1.00 0.00 H new ATOM 789 N GLN A 55 20.222 -23.044 -10.697 1.00 0.00 N ATOM 790 CA GLN A 55 19.350 -21.878 -10.764 1.00 0.00 C ATOM 791 C GLN A 55 19.994 -20.677 -10.077 1.00 0.00 C ATOM 792 O GLN A 55 19.538 -19.544 -10.229 1.00 0.00 O ATOM 793 CB GLN A 55 17.999 -22.186 -10.116 1.00 0.00 C ATOM 794 CG GLN A 55 17.999 -22.029 -8.604 1.00 0.00 C ATOM 795 CD GLN A 55 16.600 -21.950 -8.026 1.00 0.00 C ATOM 796 OE1 GLN A 55 15.856 -23.044 -8.124 1.00 0.00 O flip ATOM 797 NE2 GLN A 55 16.193 -20.915 -7.497 1.00 0.00 N flip ATOM 0 H GLN A 55 19.863 -23.807 -10.123 1.00 0.00 H new ATOM 0 HA GLN A 55 19.193 -21.633 -11.815 1.00 0.00 H new ATOM 0 HB2 GLN A 55 17.243 -21.526 -10.541 1.00 0.00 H new ATOM 0 HB3 GLN A 55 17.709 -23.206 -10.367 1.00 0.00 H new ATOM 0 HG2 GLN A 55 18.527 -22.871 -8.155 1.00 0.00 H new ATOM 0 HG3 GLN A 55 18.550 -21.128 -8.336 1.00 0.00 H new ATOM 0 HE21 GLN A 55 16.800 -20.097 -7.443 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.249 -20.876 -7.112 1.00 0.00 H new ATOM 806 N PHE A 56 21.057 -20.934 -9.322 1.00 0.00 N ATOM 807 CA PHE A 56 21.762 -19.874 -8.610 1.00 0.00 C ATOM 808 C PHE A 56 23.215 -19.784 -9.070 1.00 0.00 C ATOM 809 O PHE A 56 23.740 -18.694 -9.297 1.00 0.00 O ATOM 810 CB PHE A 56 21.707 -20.120 -7.101 1.00 0.00 C ATOM 811 CG PHE A 56 20.311 -20.158 -6.550 1.00 0.00 C ATOM 812 CD1 PHE A 56 19.343 -19.284 -7.019 1.00 0.00 C ATOM 813 CD2 PHE A 56 19.966 -21.065 -5.561 1.00 0.00 C ATOM 814 CE1 PHE A 56 18.056 -19.316 -6.515 1.00 0.00 C ATOM 815 CE2 PHE A 56 18.681 -21.103 -5.054 1.00 0.00 C ATOM 816 CZ PHE A 56 17.726 -20.227 -5.529 1.00 0.00 C ATOM 0 H PHE A 56 21.449 -21.866 -9.187 1.00 0.00 H new ATOM 0 HA PHE A 56 21.269 -18.928 -8.835 1.00 0.00 H new ATOM 0 HB2 PHE A 56 22.203 -21.064 -6.877 1.00 0.00 H new ATOM 0 HB3 PHE A 56 22.268 -19.336 -6.593 1.00 0.00 H new ATOM 0 HD1 PHE A 56 19.597 -18.569 -7.788 1.00 0.00 H new ATOM 0 HD2 PHE A 56 20.710 -21.750 -5.182 1.00 0.00 H new ATOM 0 HE1 PHE A 56 17.310 -18.631 -6.891 1.00 0.00 H new ATOM 0 HE2 PHE A 56 18.424 -21.818 -4.286 1.00 0.00 H new ATOM 0 HZ PHE A 56 16.722 -20.253 -5.131 1.00 0.00 H new ATOM 904 N GLN A 62 23.258 -11.825 -4.095 1.00 0.00 N ATOM 905 CA GLN A 62 22.252 -10.772 -4.120 1.00 0.00 C ATOM 906 C GLN A 62 21.164 -11.081 -5.144 1.00 0.00 C ATOM 907 O GLN A 62 19.981 -10.842 -4.900 1.00 0.00 O ATOM 908 CB GLN A 62 22.901 -9.425 -4.442 1.00 0.00 C ATOM 909 CG GLN A 62 23.913 -9.492 -5.574 1.00 0.00 C ATOM 910 CD GLN A 62 24.327 -8.121 -6.070 1.00 0.00 C ATOM 911 OE1 GLN A 62 23.488 -7.245 -6.280 1.00 0.00 O ATOM 912 NE2 GLN A 62 25.627 -7.927 -6.260 1.00 0.00 N ATOM 0 HA GLN A 62 21.793 -10.721 -3.133 1.00 0.00 H new ATOM 0 HB2 GLN A 62 22.122 -8.709 -4.704 1.00 0.00 H new ATOM 0 HB3 GLN A 62 23.394 -9.046 -3.547 1.00 0.00 H new ATOM 0 HG2 GLN A 62 24.796 -10.033 -5.235 1.00 0.00 H new ATOM 0 HG3 GLN A 62 23.489 -10.061 -6.402 1.00 0.00 H new ATOM 0 HE21 GLN A 62 26.288 -8.681 -6.073 1.00 0.00 H new ATOM 0 HE22 GLN A 62 25.965 -7.024 -6.593 1.00 0.00 H new ATOM 921 N ASP A 63 21.572 -11.615 -6.290 1.00 0.00 N ATOM 922 CA ASP A 63 20.632 -11.959 -7.351 1.00 0.00 C ATOM 923 C ASP A 63 19.587 -12.951 -6.850 1.00 0.00 C ATOM 924 O ASP A 63 18.389 -12.766 -7.063 1.00 0.00 O ATOM 925 CB ASP A 63 21.377 -12.545 -8.551 1.00 0.00 C ATOM 926 CG ASP A 63 20.671 -12.267 -9.863 1.00 0.00 C ATOM 927 OD1 ASP A 63 19.422 -12.305 -9.885 1.00 0.00 O ATOM 928 OD2 ASP A 63 21.366 -12.012 -10.869 1.00 0.00 O ATOM 0 H ASP A 63 22.547 -11.819 -6.508 1.00 0.00 H new ATOM 0 HA ASP A 63 20.121 -11.047 -7.661 1.00 0.00 H new ATOM 0 HB2 ASP A 63 22.384 -12.129 -8.588 1.00 0.00 H new ATOM 0 HB3 ASP A 63 21.482 -13.622 -8.419 1.00 0.00 H new ATOM 933 N ILE A 64 20.049 -14.005 -6.186 1.00 0.00 N ATOM 934 CA ILE A 64 19.155 -15.026 -5.656 1.00 0.00 C ATOM 935 C ILE A 64 18.006 -14.399 -4.873 1.00 0.00 C ATOM 936 O ILE A 64 16.856 -14.423 -5.311 1.00 0.00 O ATOM 937 CB ILE A 64 19.906 -16.012 -4.741 1.00 0.00 C ATOM 938 CG1 ILE A 64 20.825 -16.912 -5.570 1.00 0.00 C ATOM 939 CG2 ILE A 64 18.918 -16.849 -3.941 1.00 0.00 C ATOM 940 CD1 ILE A 64 22.135 -16.255 -5.946 1.00 0.00 C ATOM 0 H ILE A 64 21.038 -14.174 -6.002 1.00 0.00 H new ATOM 0 HA ILE A 64 18.755 -15.569 -6.512 1.00 0.00 H new ATOM 0 HB ILE A 64 20.519 -15.442 -4.043 1.00 0.00 H new ATOM 0 HG12 ILE A 64 21.033 -17.822 -5.008 1.00 0.00 H new ATOM 0 HG13 ILE A 64 20.304 -17.211 -6.479 1.00 0.00 H new ATOM 0 HG21 ILE A 64 19.463 -17.541 -3.299 1.00 0.00 H new ATOM 0 HG22 ILE A 64 18.300 -16.194 -3.326 1.00 0.00 H new ATOM 0 HG23 ILE A 64 18.282 -17.412 -4.624 1.00 0.00 H new ATOM 0 HD11 ILE A 64 22.736 -16.950 -6.532 1.00 0.00 H new ATOM 0 HD12 ILE A 64 21.937 -15.360 -6.536 1.00 0.00 H new ATOM 0 HD13 ILE A 64 22.677 -15.981 -5.041 1.00 0.00 H new ATOM 952 N LYS A 65 18.326 -13.835 -3.714 1.00 0.00 N ATOM 953 CA LYS A 65 17.324 -13.196 -2.870 1.00 0.00 C ATOM 954 C LYS A 65 16.252 -12.518 -3.717 1.00 0.00 C ATOM 955 O LYS A 65 15.060 -12.634 -3.436 1.00 0.00 O ATOM 956 CB LYS A 65 17.983 -12.171 -1.945 1.00 0.00 C ATOM 957 CG LYS A 65 18.502 -12.768 -0.648 1.00 0.00 C ATOM 958 CD LYS A 65 19.933 -13.260 -0.795 1.00 0.00 C ATOM 959 CE LYS A 65 20.423 -13.933 0.477 1.00 0.00 C ATOM 960 NZ LYS A 65 21.895 -13.784 0.653 1.00 0.00 N ATOM 0 H LYS A 65 19.273 -13.807 -3.337 1.00 0.00 H new ATOM 0 HA LYS A 65 16.850 -13.968 -2.265 1.00 0.00 H new ATOM 0 HB2 LYS A 65 18.810 -11.696 -2.473 1.00 0.00 H new ATOM 0 HB3 LYS A 65 17.262 -11.388 -1.712 1.00 0.00 H new ATOM 0 HG2 LYS A 65 18.453 -12.020 0.143 1.00 0.00 H new ATOM 0 HG3 LYS A 65 17.861 -13.596 -0.345 1.00 0.00 H new ATOM 0 HD2 LYS A 65 19.994 -13.962 -1.626 1.00 0.00 H new ATOM 0 HD3 LYS A 65 20.584 -12.421 -1.038 1.00 0.00 H new ATOM 0 HE2 LYS A 65 19.909 -13.502 1.337 1.00 0.00 H new ATOM 0 HE3 LYS A 65 20.166 -14.992 0.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 22.189 -14.256 1.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 22.387 -14.217 -0.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 22.138 -12.774 0.705 1.00 0.00 H new ATOM 974 N ASN A 66 16.685 -11.812 -4.757 1.00 0.00 N ATOM 975 CA ASN A 66 15.762 -11.116 -5.645 1.00 0.00 C ATOM 976 C ASN A 66 14.847 -12.105 -6.362 1.00 0.00 C ATOM 977 O ASN A 66 13.637 -11.896 -6.450 1.00 0.00 O ATOM 978 CB ASN A 66 16.537 -10.285 -6.671 1.00 0.00 C ATOM 979 CG ASN A 66 17.516 -9.330 -6.019 1.00 0.00 C ATOM 980 OD1 ASN A 66 17.283 -8.842 -4.914 1.00 0.00 O ATOM 981 ND2 ASN A 66 18.621 -9.058 -6.703 1.00 0.00 N ATOM 0 H ASN A 66 17.669 -11.707 -5.005 1.00 0.00 H new ATOM 0 HA ASN A 66 15.146 -10.451 -5.039 1.00 0.00 H new ATOM 0 HB2 ASN A 66 17.077 -10.953 -7.342 1.00 0.00 H new ATOM 0 HB3 ASN A 66 15.834 -9.719 -7.282 1.00 0.00 H new ATOM 0 HD21 ASN A 66 19.317 -8.422 -6.315 1.00 0.00 H new ATOM 0 HD22 ASN A 66 18.774 -9.485 -7.616 1.00 0.00 H new ATOM 988 N VAL A 67 15.433 -13.182 -6.872 1.00 0.00 N ATOM 989 CA VAL A 67 14.671 -14.205 -7.579 1.00 0.00 C ATOM 990 C VAL A 67 13.544 -14.750 -6.710 1.00 0.00 C ATOM 991 O VAL A 67 12.376 -14.726 -7.100 1.00 0.00 O ATOM 992 CB VAL A 67 15.573 -15.372 -8.021 1.00 0.00 C ATOM 993 CG1 VAL A 67 14.752 -16.453 -8.707 1.00 0.00 C ATOM 994 CG2 VAL A 67 16.681 -14.872 -8.936 1.00 0.00 C ATOM 0 H VAL A 67 16.434 -13.370 -6.809 1.00 0.00 H new ATOM 0 HA VAL A 67 14.247 -13.728 -8.463 1.00 0.00 H new ATOM 0 HB VAL A 67 16.033 -15.807 -7.134 1.00 0.00 H new ATOM 0 HG11 VAL A 67 15.407 -17.269 -9.012 1.00 0.00 H new ATOM 0 HG12 VAL A 67 13.999 -16.831 -8.016 1.00 0.00 H new ATOM 0 HG13 VAL A 67 14.261 -16.034 -9.585 1.00 0.00 H new ATOM 0 HG21 VAL A 67 17.309 -15.710 -9.239 1.00 0.00 H new ATOM 0 HG22 VAL A 67 16.242 -14.410 -9.820 1.00 0.00 H new ATOM 0 HG23 VAL A 67 17.287 -14.138 -8.406 1.00 0.00 H new ATOM 1004 N VAL A 68 13.901 -15.243 -5.527 1.00 0.00 N ATOM 1005 CA VAL A 68 12.919 -15.792 -4.600 1.00 0.00 C ATOM 1006 C VAL A 68 11.902 -14.735 -4.186 1.00 0.00 C ATOM 1007 O VAL A 68 10.693 -14.975 -4.216 1.00 0.00 O ATOM 1008 CB VAL A 68 13.595 -16.361 -3.339 1.00 0.00 C ATOM 1009 CG1 VAL A 68 12.553 -16.912 -2.377 1.00 0.00 C ATOM 1010 CG2 VAL A 68 14.607 -17.433 -3.714 1.00 0.00 C ATOM 0 H VAL A 68 14.863 -15.273 -5.189 1.00 0.00 H new ATOM 0 HA VAL A 68 12.406 -16.599 -5.124 1.00 0.00 H new ATOM 0 HB VAL A 68 14.127 -15.553 -2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.049 -17.310 -1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 68 11.871 -16.114 -2.083 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.991 -17.708 -2.866 1.00 0.00 H new ATOM 0 HG21 VAL A 68 15.075 -17.824 -2.810 1.00 0.00 H new ATOM 0 HG22 VAL A 68 14.101 -18.243 -4.240 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.371 -17.002 -4.361 1.00 0.00 H new ATOM 1020 N LEU A 69 12.397 -13.564 -3.800 1.00 0.00 N ATOM 1021 CA LEU A 69 11.531 -12.469 -3.379 1.00 0.00 C ATOM 1022 C LEU A 69 10.531 -12.115 -4.474 1.00 0.00 C ATOM 1023 O LEU A 69 9.390 -11.749 -4.191 1.00 0.00 O ATOM 1024 CB LEU A 69 12.369 -11.240 -3.020 1.00 0.00 C ATOM 1025 CG LEU A 69 11.607 -9.920 -2.901 1.00 0.00 C ATOM 1026 CD1 LEU A 69 11.016 -9.768 -1.508 1.00 0.00 C ATOM 1027 CD2 LEU A 69 12.518 -8.746 -3.226 1.00 0.00 C ATOM 0 H LEU A 69 13.394 -13.349 -3.770 1.00 0.00 H new ATOM 0 HA LEU A 69 10.977 -12.793 -2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.873 -11.432 -2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.146 -11.121 -3.775 1.00 0.00 H new ATOM 0 HG LEU A 69 10.789 -9.930 -3.622 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.477 -8.823 -1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.329 -10.591 -1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.817 -9.781 -0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.958 -7.815 -3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 69 13.357 -8.733 -2.531 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.892 -8.847 -4.245 1.00 0.00 H new ATOM 1039 N GLN A 70 10.966 -12.227 -5.726 1.00 0.00 N ATOM 1040 CA GLN A 70 10.107 -11.919 -6.863 1.00 0.00 C ATOM 1041 C GLN A 70 8.890 -12.839 -6.891 1.00 0.00 C ATOM 1042 O GLN A 70 7.754 -12.380 -7.010 1.00 0.00 O ATOM 1043 CB GLN A 70 10.891 -12.050 -8.170 1.00 0.00 C ATOM 1044 CG GLN A 70 11.727 -10.825 -8.503 1.00 0.00 C ATOM 1045 CD GLN A 70 10.893 -9.674 -9.031 1.00 0.00 C ATOM 1046 OE1 GLN A 70 10.144 -9.826 -9.995 1.00 0.00 O ATOM 1047 NE2 GLN A 70 11.020 -8.513 -8.398 1.00 0.00 N ATOM 0 H GLN A 70 11.907 -12.528 -5.978 1.00 0.00 H new ATOM 0 HA GLN A 70 9.760 -10.891 -6.757 1.00 0.00 H new ATOM 0 HB2 GLN A 70 11.545 -12.920 -8.106 1.00 0.00 H new ATOM 0 HB3 GLN A 70 10.193 -12.236 -8.986 1.00 0.00 H new ATOM 0 HG2 GLN A 70 12.262 -10.501 -7.610 1.00 0.00 H new ATOM 0 HG3 GLN A 70 12.479 -11.094 -9.245 1.00 0.00 H new ATOM 0 HE21 GLN A 70 11.653 -8.432 -7.603 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.484 -7.702 -8.707 1.00 0.00 H new ATOM 1056 N THR A 71 9.136 -14.141 -6.782 1.00 0.00 N ATOM 1057 CA THR A 71 8.062 -15.125 -6.796 1.00 0.00 C ATOM 1058 C THR A 71 6.939 -14.727 -5.845 1.00 0.00 C ATOM 1059 O THR A 71 5.764 -14.745 -6.214 1.00 0.00 O ATOM 1060 CB THR A 71 8.577 -16.524 -6.407 1.00 0.00 C ATOM 1061 OG1 THR A 71 9.641 -16.915 -7.283 1.00 0.00 O ATOM 1062 CG2 THR A 71 7.456 -17.551 -6.473 1.00 0.00 C ATOM 0 H THR A 71 10.070 -14.538 -6.683 1.00 0.00 H new ATOM 0 HA THR A 71 7.677 -15.158 -7.815 1.00 0.00 H new ATOM 0 HB THR A 71 8.947 -16.479 -5.383 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.294 -17.524 -7.968 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.843 -18.531 -6.194 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.660 -17.266 -5.784 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.060 -17.593 -7.488 1.00 0.00 H new ATOM 1070 N LEU A 72 7.307 -14.369 -4.620 1.00 0.00 N ATOM 1071 CA LEU A 72 6.330 -13.965 -3.615 1.00 0.00 C ATOM 1072 C LEU A 72 5.745 -12.595 -3.943 1.00 0.00 C ATOM 1073 O LEU A 72 4.556 -12.353 -3.741 1.00 0.00 O ATOM 1074 CB LEU A 72 6.976 -13.938 -2.228 1.00 0.00 C ATOM 1075 CG LEU A 72 7.522 -15.272 -1.716 1.00 0.00 C ATOM 1076 CD1 LEU A 72 8.371 -15.059 -0.473 1.00 0.00 C ATOM 1077 CD2 LEU A 72 6.383 -16.239 -1.427 1.00 0.00 C ATOM 0 H LEU A 72 8.275 -14.350 -4.299 1.00 0.00 H new ATOM 0 HA LEU A 72 5.521 -14.695 -3.618 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.792 -13.216 -2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.239 -13.571 -1.513 1.00 0.00 H new ATOM 0 HG LEU A 72 8.153 -15.706 -2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.751 -16.019 -0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.208 -14.403 -0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.764 -14.602 0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.790 -17.183 -1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.726 -15.812 -0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.816 -16.416 -2.341 1.00 0.00 H new ATOM 1089 N GLU A 73 6.590 -11.703 -4.451 1.00 0.00 N ATOM 1090 CA GLU A 73 6.156 -10.357 -4.808 1.00 0.00 C ATOM 1091 C GLU A 73 5.127 -10.398 -5.935 1.00 0.00 C ATOM 1092 O GLU A 73 3.961 -10.064 -5.737 1.00 0.00 O ATOM 1093 CB GLU A 73 7.355 -9.505 -5.229 1.00 0.00 C ATOM 1094 CG GLU A 73 8.029 -8.790 -4.071 1.00 0.00 C ATOM 1095 CD GLU A 73 8.925 -7.655 -4.528 1.00 0.00 C ATOM 1096 OE1 GLU A 73 9.617 -7.822 -5.555 1.00 0.00 O ATOM 1097 OE2 GLU A 73 8.935 -6.600 -3.859 1.00 0.00 O ATOM 0 H GLU A 73 7.578 -11.888 -4.624 1.00 0.00 H new ATOM 0 HA GLU A 73 5.691 -9.908 -3.930 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.086 -10.142 -5.727 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.026 -8.766 -5.960 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.267 -8.398 -3.398 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.619 -9.507 -3.500 1.00 0.00 H new ATOM 1104 N GLY A 74 5.571 -10.812 -7.118 1.00 0.00 N ATOM 1105 CA GLY A 74 4.677 -10.889 -8.260 1.00 0.00 C ATOM 1106 C GLY A 74 3.275 -11.315 -7.870 1.00 0.00 C ATOM 1107 O GLY A 74 2.295 -10.672 -8.249 1.00 0.00 O ATOM 0 H GLY A 74 6.533 -11.095 -7.306 1.00 0.00 H new ATOM 0 HA2 GLY A 74 4.635 -9.917 -8.751 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.080 -11.595 -8.986 1.00 0.00 H new ATOM 1111 N HIS A 75 3.178 -12.403 -7.114 1.00 0.00 N ATOM 1112 CA HIS A 75 1.885 -12.916 -6.674 1.00 0.00 C ATOM 1113 C HIS A 75 1.177 -11.905 -5.777 1.00 0.00 C ATOM 1114 O HIS A 75 -0.015 -11.642 -5.940 1.00 0.00 O ATOM 1115 CB HIS A 75 2.062 -14.239 -5.930 1.00 0.00 C ATOM 1116 CG HIS A 75 2.526 -15.362 -6.808 1.00 0.00 C ATOM 1117 ND1 HIS A 75 1.976 -15.627 -8.044 1.00 0.00 N ATOM 1118 CD2 HIS A 75 3.493 -16.290 -6.622 1.00 0.00 C ATOM 1119 CE1 HIS A 75 2.585 -16.670 -8.580 1.00 0.00 C ATOM 1120 NE2 HIS A 75 3.510 -17.090 -7.737 1.00 0.00 N ATOM 0 H HIS A 75 3.979 -12.947 -6.793 1.00 0.00 H new ATOM 0 HA HIS A 75 1.270 -13.086 -7.558 1.00 0.00 H new ATOM 0 HB2 HIS A 75 2.781 -14.099 -5.122 1.00 0.00 H new ATOM 0 HB3 HIS A 75 1.114 -14.517 -5.469 1.00 0.00 H new ATOM 0 HD1 HIS A 75 1.217 -15.100 -8.477 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.133 -16.384 -5.757 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.364 -17.105 -9.544 1.00 0.00 H new ATOM 1129 N LEU A 76 1.918 -11.343 -4.829 1.00 0.00 N ATOM 1130 CA LEU A 76 1.361 -10.361 -3.904 1.00 0.00 C ATOM 1131 C LEU A 76 0.351 -9.461 -4.608 1.00 0.00 C ATOM 1132 O LEU A 76 -0.839 -9.483 -4.295 1.00 0.00 O ATOM 1133 CB LEU A 76 2.479 -9.514 -3.296 1.00 0.00 C ATOM 1134 CG LEU A 76 2.145 -8.804 -1.983 1.00 0.00 C ATOM 1135 CD1 LEU A 76 2.334 -9.746 -0.804 1.00 0.00 C ATOM 1136 CD2 LEU A 76 3.003 -7.559 -1.816 1.00 0.00 C ATOM 0 H LEU A 76 2.906 -11.550 -4.680 1.00 0.00 H new ATOM 0 HA LEU A 76 0.847 -10.899 -3.108 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.344 -10.156 -3.129 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.776 -8.762 -4.027 1.00 0.00 H new ATOM 0 HG LEU A 76 1.099 -8.498 -2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.092 -9.224 0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.676 -10.607 -0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.370 -10.083 -0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.751 -7.067 -0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.056 -7.841 -1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.817 -6.875 -2.644 1.00 0.00 H new ATOM 1148 N ARG A 77 0.834 -8.672 -5.562 1.00 0.00 N ATOM 1149 CA ARG A 77 -0.027 -7.766 -6.312 1.00 0.00 C ATOM 1150 C ARG A 77 -1.248 -8.502 -6.858 1.00 0.00 C ATOM 1151 O ARG A 77 -2.385 -8.079 -6.648 1.00 0.00 O ATOM 1152 CB ARG A 77 0.751 -7.123 -7.462 1.00 0.00 C ATOM 1153 CG ARG A 77 0.206 -5.769 -7.884 1.00 0.00 C ATOM 1154 CD ARG A 77 -0.979 -5.913 -8.826 1.00 0.00 C ATOM 1155 NE ARG A 77 -1.083 -4.787 -9.751 1.00 0.00 N ATOM 1156 CZ ARG A 77 -2.203 -4.461 -10.387 1.00 0.00 C ATOM 1157 NH1 ARG A 77 -3.307 -5.169 -10.198 1.00 0.00 N ATOM 1158 NH2 ARG A 77 -2.218 -3.423 -11.214 1.00 0.00 N ATOM 0 H ARG A 77 1.817 -8.642 -5.834 1.00 0.00 H new ATOM 0 HA ARG A 77 -0.369 -6.985 -5.633 1.00 0.00 H new ATOM 0 HB2 ARG A 77 1.794 -7.009 -7.165 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.736 -7.795 -8.320 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.096 -5.206 -7.001 1.00 0.00 H new ATOM 0 HG3 ARG A 77 0.993 -5.195 -8.373 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -0.882 -6.839 -9.392 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.897 -5.990 -8.244 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.251 -4.221 -9.917 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -3.299 -5.967 -9.563 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.165 -4.916 -10.688 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.370 -2.876 -11.361 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.078 -3.172 -11.702 1.00 0.00 H new ATOM 1172 N SER A 78 -1.003 -9.603 -7.561 1.00 0.00 N ATOM 1173 CA SER A 78 -2.081 -10.395 -8.140 1.00 0.00 C ATOM 1174 C SER A 78 -3.139 -10.724 -7.091 1.00 0.00 C ATOM 1175 O SER A 78 -4.332 -10.766 -7.390 1.00 0.00 O ATOM 1176 CB SER A 78 -1.526 -11.687 -8.743 1.00 0.00 C ATOM 1177 OG SER A 78 -1.055 -11.473 -10.062 1.00 0.00 O ATOM 0 H SER A 78 -0.068 -9.967 -7.743 1.00 0.00 H new ATOM 0 HA SER A 78 -2.548 -9.805 -8.929 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.714 -12.063 -8.120 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.303 -12.452 -8.750 1.00 0.00 H new ATOM 0 HG SER A 78 -0.704 -12.313 -10.424 1.00 0.00 H new ATOM 1183 N ILE A 79 -2.691 -10.956 -5.862 1.00 0.00 N ATOM 1184 CA ILE A 79 -3.598 -11.279 -4.767 1.00 0.00 C ATOM 1185 C ILE A 79 -4.266 -10.024 -4.218 1.00 0.00 C ATOM 1186 O ILE A 79 -5.450 -10.037 -3.875 1.00 0.00 O ATOM 1187 CB ILE A 79 -2.863 -12.000 -3.621 1.00 0.00 C ATOM 1188 CG1 ILE A 79 -2.346 -13.360 -4.094 1.00 0.00 C ATOM 1189 CG2 ILE A 79 -3.786 -12.166 -2.423 1.00 0.00 C ATOM 1190 CD1 ILE A 79 -3.350 -14.136 -4.918 1.00 0.00 C ATOM 0 H ILE A 79 -1.706 -10.926 -5.599 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.360 -11.944 -5.174 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.010 -11.394 -3.317 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.442 -13.210 -4.684 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.064 -13.955 -3.225 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.253 -12.677 -1.621 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.111 -11.185 -2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.656 -12.755 -2.713 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.915 -15.089 -5.219 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.246 -14.317 -4.324 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.614 -13.561 -5.806 1.00 0.00 H new ATOM 1202 N LEU A 80 -3.503 -8.940 -4.138 1.00 0.00 N ATOM 1203 CA LEU A 80 -4.021 -7.674 -3.632 1.00 0.00 C ATOM 1204 C LEU A 80 -5.078 -7.103 -4.572 1.00 0.00 C ATOM 1205 O LEU A 80 -6.020 -6.444 -4.136 1.00 0.00 O ATOM 1206 CB LEU A 80 -2.882 -6.669 -3.455 1.00 0.00 C ATOM 1207 CG LEU A 80 -3.087 -5.606 -2.375 1.00 0.00 C ATOM 1208 CD1 LEU A 80 -1.748 -5.142 -1.822 1.00 0.00 C ATOM 1209 CD2 LEU A 80 -3.874 -4.427 -2.928 1.00 0.00 C ATOM 0 H LEU A 80 -2.522 -8.912 -4.417 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.486 -7.861 -2.664 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.970 -7.220 -3.226 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.718 -6.164 -4.407 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.660 -6.050 -1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.914 -4.386 -1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.220 -5.991 -1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.149 -4.717 -2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.010 -3.681 -2.145 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.328 -3.984 -3.761 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.849 -4.771 -3.275 1.00 0.00 H new ATOM 1221 N GLY A 81 -4.914 -7.364 -5.866 1.00 0.00 N ATOM 1222 CA GLY A 81 -5.863 -6.871 -6.847 1.00 0.00 C ATOM 1223 C GLY A 81 -7.230 -7.511 -6.706 1.00 0.00 C ATOM 1224 O GLY A 81 -8.233 -6.819 -6.530 1.00 0.00 O ATOM 0 H GLY A 81 -4.142 -7.907 -6.252 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.959 -5.790 -6.743 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.478 -7.062 -7.848 1.00 0.00 H new ATOM 1228 N THR A 82 -7.271 -8.837 -6.783 1.00 0.00 N ATOM 1229 CA THR A 82 -8.525 -9.571 -6.666 1.00 0.00 C ATOM 1230 C THR A 82 -9.229 -9.248 -5.353 1.00 0.00 C ATOM 1231 O THR A 82 -10.458 -9.268 -5.275 1.00 0.00 O ATOM 1232 CB THR A 82 -8.296 -11.092 -6.752 1.00 0.00 C ATOM 1233 OG1 THR A 82 -9.523 -11.786 -6.498 1.00 0.00 O ATOM 1234 CG2 THR A 82 -7.239 -11.538 -5.753 1.00 0.00 C ATOM 0 H THR A 82 -6.450 -9.425 -6.926 1.00 0.00 H new ATOM 0 HA THR A 82 -9.154 -9.258 -7.500 1.00 0.00 H new ATOM 0 HB THR A 82 -7.946 -11.329 -7.757 1.00 0.00 H new ATOM 0 HG1 THR A 82 -9.370 -12.752 -6.556 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.095 -12.615 -5.833 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.299 -11.029 -5.967 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.565 -11.289 -4.743 1.00 0.00 H new ATOM 1242 N LEU A 83 -8.445 -8.950 -4.324 1.00 0.00 N ATOM 1243 CA LEU A 83 -8.994 -8.621 -3.013 1.00 0.00 C ATOM 1244 C LEU A 83 -9.181 -7.115 -2.863 1.00 0.00 C ATOM 1245 O LEU A 83 -8.325 -6.328 -3.270 1.00 0.00 O ATOM 1246 CB LEU A 83 -8.076 -9.145 -1.907 1.00 0.00 C ATOM 1247 CG LEU A 83 -8.365 -10.562 -1.410 1.00 0.00 C ATOM 1248 CD1 LEU A 83 -7.255 -11.040 -0.486 1.00 0.00 C ATOM 1249 CD2 LEU A 83 -9.711 -10.616 -0.703 1.00 0.00 C ATOM 0 H LEU A 83 -7.426 -8.929 -4.372 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.969 -9.100 -2.925 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.048 -9.111 -2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.138 -8.464 -1.058 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.404 -11.228 -2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.478 -12.050 -0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.308 -11.041 -1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.183 -10.372 0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.899 -11.632 -0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.701 -9.937 0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.498 -10.317 -1.395 1.00 0.00 H new ATOM 1261 N THR A 84 -10.305 -6.719 -2.273 1.00 0.00 N ATOM 1262 CA THR A 84 -10.604 -5.308 -2.068 1.00 0.00 C ATOM 1263 C THR A 84 -9.747 -4.721 -0.953 1.00 0.00 C ATOM 1264 O THR A 84 -9.313 -5.434 -0.048 1.00 0.00 O ATOM 1265 CB THR A 84 -12.091 -5.093 -1.725 1.00 0.00 C ATOM 1266 OG1 THR A 84 -12.424 -5.799 -0.524 1.00 0.00 O ATOM 1267 CG2 THR A 84 -12.983 -5.568 -2.862 1.00 0.00 C ATOM 0 H THR A 84 -11.023 -7.357 -1.929 1.00 0.00 H new ATOM 0 HA THR A 84 -10.377 -4.797 -3.004 1.00 0.00 H new ATOM 0 HB THR A 84 -12.256 -4.026 -1.576 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.370 -5.656 -0.312 1.00 0.00 H new ATOM 0 HG21 THR A 84 -14.028 -5.406 -2.597 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.747 -5.008 -3.767 1.00 0.00 H new ATOM 0 HG23 THR A 84 -12.814 -6.630 -3.038 1.00 0.00 H new ATOM 1275 N VAL A 85 -9.507 -3.415 -1.022 1.00 0.00 N ATOM 1276 CA VAL A 85 -8.702 -2.732 -0.017 1.00 0.00 C ATOM 1277 C VAL A 85 -9.233 -3.000 1.388 1.00 0.00 C ATOM 1278 O VAL A 85 -8.475 -3.351 2.291 1.00 0.00 O ATOM 1279 CB VAL A 85 -8.674 -1.211 -0.260 1.00 0.00 C ATOM 1280 CG1 VAL A 85 -10.043 -0.714 -0.698 1.00 0.00 C ATOM 1281 CG2 VAL A 85 -8.207 -0.480 0.990 1.00 0.00 C ATOM 0 H VAL A 85 -9.859 -2.809 -1.764 1.00 0.00 H new ATOM 0 HA VAL A 85 -7.689 -3.126 -0.102 1.00 0.00 H new ATOM 0 HB VAL A 85 -7.965 -1.002 -1.061 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -10.003 0.362 -0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -10.333 -1.214 -1.622 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -10.776 -0.934 0.079 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -8.193 0.593 0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -8.889 -0.694 1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.204 -0.815 1.254 1.00 0.00 H new ATOM 1291 N GLU A 86 -10.540 -2.834 1.562 1.00 0.00 N ATOM 1292 CA GLU A 86 -11.171 -3.059 2.857 1.00 0.00 C ATOM 1293 C GLU A 86 -10.812 -4.436 3.406 1.00 0.00 C ATOM 1294 O GLU A 86 -10.321 -4.559 4.529 1.00 0.00 O ATOM 1295 CB GLU A 86 -12.691 -2.925 2.738 1.00 0.00 C ATOM 1296 CG GLU A 86 -13.162 -1.496 2.530 1.00 0.00 C ATOM 1297 CD GLU A 86 -14.549 -1.422 1.922 1.00 0.00 C ATOM 1298 OE1 GLU A 86 -15.534 -1.433 2.688 1.00 0.00 O ATOM 1299 OE2 GLU A 86 -14.649 -1.353 0.679 1.00 0.00 O ATOM 0 H GLU A 86 -11.182 -2.545 0.824 1.00 0.00 H new ATOM 0 HA GLU A 86 -10.800 -2.304 3.550 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.037 -3.537 1.905 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.154 -3.323 3.641 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.160 -0.974 3.487 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.457 -0.976 1.882 1.00 0.00 H new ATOM 1306 N GLN A 87 -11.059 -5.468 2.607 1.00 0.00 N ATOM 1307 CA GLN A 87 -10.763 -6.837 3.013 1.00 0.00 C ATOM 1308 C GLN A 87 -9.356 -6.941 3.590 1.00 0.00 C ATOM 1309 O GLN A 87 -9.145 -7.567 4.628 1.00 0.00 O ATOM 1310 CB GLN A 87 -10.911 -7.787 1.823 1.00 0.00 C ATOM 1311 CG GLN A 87 -12.343 -8.236 1.578 1.00 0.00 C ATOM 1312 CD GLN A 87 -12.730 -9.440 2.415 1.00 0.00 C ATOM 1313 OE1 GLN A 87 -13.689 -9.392 3.185 1.00 0.00 O ATOM 1314 NE2 GLN A 87 -11.982 -10.527 2.268 1.00 0.00 N ATOM 0 H GLN A 87 -11.463 -5.383 1.674 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.475 -7.122 3.787 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -10.535 -7.294 0.926 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -10.287 -8.665 1.990 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.021 -7.412 1.799 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -12.468 -8.477 0.522 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -11.196 -10.521 1.618 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -12.193 -11.368 2.805 1.00 0.00 H new ATOM 1323 N ILE A 88 -8.396 -6.324 2.909 1.00 0.00 N ATOM 1324 CA ILE A 88 -7.008 -6.347 3.355 1.00 0.00 C ATOM 1325 C ILE A 88 -6.889 -5.895 4.806 1.00 0.00 C ATOM 1326 O ILE A 88 -6.317 -6.597 5.641 1.00 0.00 O ATOM 1327 CB ILE A 88 -6.120 -5.448 2.475 1.00 0.00 C ATOM 1328 CG1 ILE A 88 -6.160 -5.919 1.020 1.00 0.00 C ATOM 1329 CG2 ILE A 88 -4.689 -5.444 2.996 1.00 0.00 C ATOM 1330 CD1 ILE A 88 -5.959 -4.804 0.018 1.00 0.00 C ATOM 0 H ILE A 88 -8.554 -5.802 2.047 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.666 -7.378 3.269 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.506 -4.429 2.518 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.389 -6.675 0.870 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.119 -6.400 0.829 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -4.073 -4.804 2.364 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.675 -5.066 4.018 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.293 -6.459 2.980 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.999 -5.211 -0.992 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.745 -4.059 0.141 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.988 -4.338 0.183 1.00 0.00 H new ATOM 1342 N TYR A 89 -7.436 -4.721 5.101 1.00 0.00 N ATOM 1343 CA TYR A 89 -7.392 -4.176 6.453 1.00 0.00 C ATOM 1344 C TYR A 89 -8.125 -5.087 7.433 1.00 0.00 C ATOM 1345 O TYR A 89 -7.553 -5.533 8.428 1.00 0.00 O ATOM 1346 CB TYR A 89 -8.009 -2.776 6.481 1.00 0.00 C ATOM 1347 CG TYR A 89 -7.085 -1.697 5.964 1.00 0.00 C ATOM 1348 CD1 TYR A 89 -5.927 -1.358 6.652 1.00 0.00 C ATOM 1349 CD2 TYR A 89 -7.370 -1.017 4.786 1.00 0.00 C ATOM 1350 CE1 TYR A 89 -5.080 -0.371 6.184 1.00 0.00 C ATOM 1351 CE2 TYR A 89 -6.528 -0.030 4.309 1.00 0.00 C ATOM 1352 CZ TYR A 89 -5.385 0.289 5.012 1.00 0.00 C ATOM 1353 OH TYR A 89 -4.544 1.271 4.541 1.00 0.00 O ATOM 0 H TYR A 89 -7.915 -4.129 4.423 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.347 -4.112 6.758 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -8.921 -2.778 5.884 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -8.298 -2.536 7.504 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.684 -1.875 7.569 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -8.265 -1.264 4.234 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.185 -0.118 6.733 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.764 0.488 3.391 1.00 0.00 H new ATOM 0 HH TYR A 89 -4.902 1.635 3.705 1.00 0.00 H new ATOM 1363 N GLN A 90 -9.393 -5.359 7.143 1.00 0.00 N ATOM 1364 CA GLN A 90 -10.205 -6.216 7.998 1.00 0.00 C ATOM 1365 C GLN A 90 -9.365 -7.338 8.599 1.00 0.00 C ATOM 1366 O GLN A 90 -9.186 -7.410 9.814 1.00 0.00 O ATOM 1367 CB GLN A 90 -11.372 -6.805 7.204 1.00 0.00 C ATOM 1368 CG GLN A 90 -12.621 -5.938 7.225 1.00 0.00 C ATOM 1369 CD GLN A 90 -13.406 -6.077 8.514 1.00 0.00 C ATOM 1370 OE1 GLN A 90 -12.850 -5.964 9.607 1.00 0.00 O ATOM 1371 NE2 GLN A 90 -14.705 -6.322 8.394 1.00 0.00 N ATOM 0 H GLN A 90 -9.880 -4.998 6.323 1.00 0.00 H new ATOM 0 HA GLN A 90 -10.599 -5.607 8.811 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.060 -6.953 6.170 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.615 -7.788 7.607 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -12.337 -4.895 7.088 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -13.260 -6.208 6.384 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -15.124 -6.408 7.468 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -15.284 -6.424 9.228 1.00 0.00 H new ATOM 1380 N ASP A 91 -8.853 -8.212 7.738 1.00 0.00 N ATOM 1381 CA ASP A 91 -8.031 -9.330 8.184 1.00 0.00 C ATOM 1382 C ASP A 91 -6.709 -9.371 7.423 1.00 0.00 C ATOM 1383 O ASP A 91 -6.571 -10.096 6.438 1.00 0.00 O ATOM 1384 CB ASP A 91 -8.782 -10.650 7.996 1.00 0.00 C ATOM 1385 CG ASP A 91 -8.267 -11.745 8.909 1.00 0.00 C ATOM 1386 OD1 ASP A 91 -7.337 -11.472 9.696 1.00 0.00 O ATOM 1387 OD2 ASP A 91 -8.793 -12.875 8.836 1.00 0.00 O ATOM 0 H ASP A 91 -8.993 -8.167 6.729 1.00 0.00 H new ATOM 0 HA ASP A 91 -7.816 -9.190 9.243 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -9.843 -10.491 8.187 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -8.690 -10.973 6.959 1.00 0.00 H new ATOM 1392 N ARG A 92 -5.742 -8.586 7.885 1.00 0.00 N ATOM 1393 CA ARG A 92 -4.432 -8.531 7.247 1.00 0.00 C ATOM 1394 C ARG A 92 -3.836 -9.928 7.106 1.00 0.00 C ATOM 1395 O ARG A 92 -3.287 -10.278 6.062 1.00 0.00 O ATOM 1396 CB ARG A 92 -3.486 -7.639 8.053 1.00 0.00 C ATOM 1397 CG ARG A 92 -3.750 -6.153 7.876 1.00 0.00 C ATOM 1398 CD ARG A 92 -2.703 -5.312 8.591 1.00 0.00 C ATOM 1399 NE ARG A 92 -2.865 -5.354 10.041 1.00 0.00 N ATOM 1400 CZ ARG A 92 -2.159 -4.605 10.881 1.00 0.00 C ATOM 1401 NH1 ARG A 92 -1.250 -3.759 10.416 1.00 0.00 N ATOM 1402 NH2 ARG A 92 -2.364 -4.699 12.189 1.00 0.00 N ATOM 0 H ARG A 92 -5.841 -7.979 8.699 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.559 -8.108 6.251 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -3.575 -7.892 9.110 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.459 -7.854 7.759 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.753 -5.907 6.814 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.740 -5.910 8.262 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -1.708 -5.670 8.327 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -2.771 -4.280 8.248 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.558 -5.993 10.431 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -1.092 -3.682 9.411 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -0.709 -3.185 11.063 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -3.064 -5.347 12.550 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -1.821 -4.123 12.833 1.00 0.00 H new ATOM 1416 N ASP A 93 -3.948 -10.723 8.165 1.00 0.00 N ATOM 1417 CA ASP A 93 -3.420 -12.082 8.161 1.00 0.00 C ATOM 1418 C ASP A 93 -3.904 -12.849 6.934 1.00 0.00 C ATOM 1419 O ASP A 93 -3.143 -13.589 6.312 1.00 0.00 O ATOM 1420 CB ASP A 93 -3.838 -12.819 9.435 1.00 0.00 C ATOM 1421 CG ASP A 93 -2.844 -13.892 9.835 1.00 0.00 C ATOM 1422 OD1 ASP A 93 -2.495 -14.727 8.974 1.00 0.00 O ATOM 1423 OD2 ASP A 93 -2.417 -13.896 11.008 1.00 0.00 O ATOM 0 H ASP A 93 -4.400 -10.449 9.037 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.332 -12.022 8.125 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.941 -12.102 10.249 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.817 -13.273 9.284 1.00 0.00 H new ATOM 1428 N GLN A 94 -5.176 -12.666 6.593 1.00 0.00 N ATOM 1429 CA GLN A 94 -5.762 -13.342 5.441 1.00 0.00 C ATOM 1430 C GLN A 94 -4.954 -13.065 4.178 1.00 0.00 C ATOM 1431 O GLN A 94 -4.300 -13.958 3.639 1.00 0.00 O ATOM 1432 CB GLN A 94 -7.211 -12.893 5.242 1.00 0.00 C ATOM 1433 CG GLN A 94 -7.995 -13.774 4.283 1.00 0.00 C ATOM 1434 CD GLN A 94 -8.359 -15.115 4.887 1.00 0.00 C ATOM 1435 OE1 GLN A 94 -8.361 -16.156 4.063 1.00 0.00 O flip ATOM 1436 NE2 GLN A 94 -8.637 -15.216 6.083 1.00 0.00 N flip ATOM 0 H GLN A 94 -5.820 -12.056 7.097 1.00 0.00 H new ATOM 0 HA GLN A 94 -5.744 -14.415 5.634 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.715 -12.883 6.208 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.217 -11.869 4.869 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.906 -13.256 3.982 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.406 -13.935 3.380 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.623 -14.390 6.681 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -8.881 -16.126 6.475 1.00 0.00 H new ATOM 1445 N PHE A 95 -5.003 -11.822 3.711 1.00 0.00 N ATOM 1446 CA PHE A 95 -4.276 -11.427 2.509 1.00 0.00 C ATOM 1447 C PHE A 95 -2.893 -12.072 2.474 1.00 0.00 C ATOM 1448 O PHE A 95 -2.488 -12.640 1.461 1.00 0.00 O ATOM 1449 CB PHE A 95 -4.144 -9.905 2.445 1.00 0.00 C ATOM 1450 CG PHE A 95 -3.235 -9.428 1.349 1.00 0.00 C ATOM 1451 CD1 PHE A 95 -3.369 -9.916 0.058 1.00 0.00 C ATOM 1452 CD2 PHE A 95 -2.247 -8.492 1.607 1.00 0.00 C ATOM 1453 CE1 PHE A 95 -2.534 -9.479 -0.953 1.00 0.00 C ATOM 1454 CE2 PHE A 95 -1.410 -8.051 0.599 1.00 0.00 C ATOM 1455 CZ PHE A 95 -1.553 -8.547 -0.683 1.00 0.00 C ATOM 0 H PHE A 95 -5.538 -11.071 4.146 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.840 -11.772 1.643 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -5.132 -9.468 2.302 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -3.769 -9.540 3.401 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.135 -10.646 -0.160 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.129 -8.102 2.607 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.649 -9.867 -1.954 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -0.645 -7.319 0.813 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.899 -8.206 -1.472 1.00 0.00 H new ATOM 1465 N ALA A 96 -2.175 -11.977 3.588 1.00 0.00 N ATOM 1466 CA ALA A 96 -0.839 -12.551 3.687 1.00 0.00 C ATOM 1467 C ALA A 96 -0.846 -14.029 3.307 1.00 0.00 C ATOM 1468 O ALA A 96 0.058 -14.510 2.626 1.00 0.00 O ATOM 1469 CB ALA A 96 -0.288 -12.369 5.094 1.00 0.00 C ATOM 0 H ALA A 96 -2.496 -11.508 4.435 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.192 -12.025 2.985 1.00 0.00 H new ATOM 0 HB1 ALA A 96 0.710 -12.803 5.153 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -0.236 -11.306 5.330 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.943 -12.868 5.809 1.00 0.00 H new ATOM 1475 N LYS A 97 -1.874 -14.743 3.752 1.00 0.00 N ATOM 1476 CA LYS A 97 -2.001 -16.166 3.459 1.00 0.00 C ATOM 1477 C LYS A 97 -2.311 -16.392 1.983 1.00 0.00 C ATOM 1478 O LYS A 97 -1.740 -17.278 1.346 1.00 0.00 O ATOM 1479 CB LYS A 97 -3.098 -16.790 4.323 1.00 0.00 C ATOM 1480 CG LYS A 97 -3.528 -18.171 3.859 1.00 0.00 C ATOM 1481 CD LYS A 97 -4.856 -18.580 4.475 1.00 0.00 C ATOM 1482 CE LYS A 97 -6.022 -17.870 3.806 1.00 0.00 C ATOM 1483 NZ LYS A 97 -6.295 -18.411 2.445 1.00 0.00 N ATOM 0 H LYS A 97 -2.632 -14.360 4.317 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.049 -16.645 3.690 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.745 -16.856 5.352 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -3.966 -16.130 4.325 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.612 -18.180 2.772 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.763 -18.900 4.126 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.984 -19.659 4.383 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.851 -18.349 5.540 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.914 -17.975 4.424 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -5.806 -16.804 3.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -7.217 -18.064 2.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.550 -18.097 1.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -6.308 -19.450 2.481 1.00 0.00 H new ATOM 1497 N LEU A 98 -3.219 -15.585 1.444 1.00 0.00 N ATOM 1498 CA LEU A 98 -3.604 -15.696 0.042 1.00 0.00 C ATOM 1499 C LEU A 98 -2.374 -15.798 -0.855 1.00 0.00 C ATOM 1500 O LEU A 98 -2.373 -16.530 -1.845 1.00 0.00 O ATOM 1501 CB LEU A 98 -4.452 -14.492 -0.372 1.00 0.00 C ATOM 1502 CG LEU A 98 -5.937 -14.561 -0.015 1.00 0.00 C ATOM 1503 CD1 LEU A 98 -6.659 -15.544 -0.924 1.00 0.00 C ATOM 1504 CD2 LEU A 98 -6.116 -14.952 1.445 1.00 0.00 C ATOM 0 H LEU A 98 -3.702 -14.847 1.957 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.193 -16.605 -0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.029 -13.600 0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.364 -14.365 -1.451 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.373 -13.573 -0.163 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.715 -15.580 -0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.559 -15.222 -1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.221 -16.535 -0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.179 -14.996 1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.665 -15.929 1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.633 -14.211 2.082 1.00 0.00 H new ATOM 1516 N VAL A 99 -1.327 -15.061 -0.500 1.00 0.00 N ATOM 1517 CA VAL A 99 -0.089 -15.071 -1.270 1.00 0.00 C ATOM 1518 C VAL A 99 0.715 -16.339 -1.002 1.00 0.00 C ATOM 1519 O VAL A 99 0.910 -17.163 -1.895 1.00 0.00 O ATOM 1520 CB VAL A 99 0.784 -13.844 -0.945 1.00 0.00 C ATOM 1521 CG1 VAL A 99 1.733 -13.543 -2.096 1.00 0.00 C ATOM 1522 CG2 VAL A 99 -0.088 -12.637 -0.634 1.00 0.00 C ATOM 0 H VAL A 99 -1.311 -14.449 0.316 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.371 -15.039 -2.323 1.00 0.00 H new ATOM 0 HB VAL A 99 1.382 -14.070 -0.062 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.341 -12.673 -1.848 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.381 -14.402 -2.267 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.157 -13.338 -2.998 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.545 -11.779 -0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.713 -12.408 -1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -0.722 -12.858 0.225 1.00 0.00 H new ATOM 1532 N ARG A 100 1.180 -16.487 0.234 1.00 0.00 N ATOM 1533 CA ARG A 100 1.964 -17.654 0.621 1.00 0.00 C ATOM 1534 C ARG A 100 1.286 -18.941 0.159 1.00 0.00 C ATOM 1535 O ARG A 100 1.940 -19.969 -0.017 1.00 0.00 O ATOM 1536 CB ARG A 100 2.159 -17.685 2.138 1.00 0.00 C ATOM 1537 CG ARG A 100 1.069 -18.444 2.877 1.00 0.00 C ATOM 1538 CD ARG A 100 1.219 -18.307 4.384 1.00 0.00 C ATOM 1539 NE ARG A 100 -0.048 -18.513 5.082 1.00 0.00 N ATOM 1540 CZ ARG A 100 -0.197 -18.367 6.393 1.00 0.00 C ATOM 1541 NH1 ARG A 100 0.837 -18.016 7.146 1.00 0.00 N ATOM 1542 NH2 ARG A 100 -1.381 -18.572 6.954 1.00 0.00 N ATOM 0 H ARG A 100 1.028 -15.813 0.985 1.00 0.00 H new ATOM 0 HA ARG A 100 2.938 -17.582 0.138 1.00 0.00 H new ATOM 0 HB2 ARG A 100 3.123 -18.141 2.363 1.00 0.00 H new ATOM 0 HB3 ARG A 100 2.195 -16.662 2.512 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.092 -18.069 2.572 1.00 0.00 H new ATOM 0 HG3 ARG A 100 1.106 -19.498 2.601 1.00 0.00 H new ATOM 0 HD2 ARG A 100 1.952 -19.030 4.742 1.00 0.00 H new ATOM 0 HD3 ARG A 100 1.606 -17.316 4.621 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.863 -18.784 4.532 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.749 -17.858 6.718 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.720 -17.904 8.153 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.178 -18.842 6.378 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -1.494 -18.460 7.961 1.00 0.00 H new ATOM 1556 N GLU A 101 -0.027 -18.876 -0.036 1.00 0.00 N ATOM 1557 CA GLU A 101 -0.792 -20.036 -0.477 1.00 0.00 C ATOM 1558 C GLU A 101 -0.555 -20.314 -1.958 1.00 0.00 C ATOM 1559 O GLU A 101 -0.490 -21.467 -2.384 1.00 0.00 O ATOM 1560 CB GLU A 101 -2.285 -19.819 -0.219 1.00 0.00 C ATOM 1561 CG GLU A 101 -2.728 -20.233 1.174 1.00 0.00 C ATOM 1562 CD GLU A 101 -2.853 -21.737 1.324 1.00 0.00 C ATOM 1563 OE1 GLU A 101 -3.794 -22.315 0.739 1.00 0.00 O ATOM 1564 OE2 GLU A 101 -2.011 -22.335 2.026 1.00 0.00 O ATOM 0 H GLU A 101 -0.583 -18.032 0.104 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.454 -20.900 0.095 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.522 -18.766 -0.368 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.858 -20.382 -0.956 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.013 -19.857 1.905 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.688 -19.768 1.399 1.00 0.00 H new ATOM 1571 N VAL A 102 -0.428 -19.246 -2.741 1.00 0.00 N ATOM 1572 CA VAL A 102 -0.199 -19.373 -4.175 1.00 0.00 C ATOM 1573 C VAL A 102 1.286 -19.537 -4.482 1.00 0.00 C ATOM 1574 O VAL A 102 1.659 -20.119 -5.500 1.00 0.00 O ATOM 1575 CB VAL A 102 -0.737 -18.150 -4.941 1.00 0.00 C ATOM 1576 CG1 VAL A 102 0.078 -16.909 -4.606 1.00 0.00 C ATOM 1577 CG2 VAL A 102 -0.731 -18.413 -6.438 1.00 0.00 C ATOM 0 H VAL A 102 -0.480 -18.284 -2.406 1.00 0.00 H new ATOM 0 HA VAL A 102 -0.736 -20.263 -4.503 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.767 -17.974 -4.631 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.317 -16.055 -5.156 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.016 -16.711 -3.536 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.119 -17.071 -4.885 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -1.114 -17.538 -6.963 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.288 -18.616 -6.768 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -1.362 -19.274 -6.659 1.00 0.00 H new ATOM 1587 N ALA A 103 2.129 -19.021 -3.593 1.00 0.00 N ATOM 1588 CA ALA A 103 3.573 -19.112 -3.767 1.00 0.00 C ATOM 1589 C ALA A 103 4.107 -20.441 -3.243 1.00 0.00 C ATOM 1590 O ALA A 103 4.900 -21.107 -3.906 1.00 0.00 O ATOM 1591 CB ALA A 103 4.263 -17.951 -3.067 1.00 0.00 C ATOM 0 H ALA A 103 1.836 -18.536 -2.745 1.00 0.00 H new ATOM 0 HA ALA A 103 3.789 -19.059 -4.834 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.341 -18.032 -3.205 1.00 0.00 H new ATOM 0 HB2 ALA A 103 3.912 -17.010 -3.491 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.031 -17.978 -2.002 1.00 0.00 H new ATOM 1597 N ALA A 104 3.666 -20.820 -2.048 1.00 0.00 N ATOM 1598 CA ALA A 104 4.097 -22.070 -1.435 1.00 0.00 C ATOM 1599 C ALA A 104 4.333 -23.146 -2.491 1.00 0.00 C ATOM 1600 O ALA A 104 5.438 -23.669 -2.641 1.00 0.00 O ATOM 1601 CB ALA A 104 3.069 -22.543 -0.418 1.00 0.00 C ATOM 0 H ALA A 104 3.010 -20.279 -1.485 1.00 0.00 H new ATOM 0 HA ALA A 104 5.041 -21.887 -0.922 1.00 0.00 H new ATOM 0 HB1 ALA A 104 3.405 -23.478 0.031 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.952 -21.788 0.359 1.00 0.00 H new ATOM 0 HB3 ALA A 104 2.112 -22.703 -0.915 1.00 0.00 H new ATOM 1607 N PRO A 105 3.274 -23.485 -3.239 1.00 0.00 N ATOM 1608 CA PRO A 105 3.341 -24.501 -4.293 1.00 0.00 C ATOM 1609 C PRO A 105 4.162 -24.040 -5.492 1.00 0.00 C ATOM 1610 O PRO A 105 4.664 -24.856 -6.264 1.00 0.00 O ATOM 1611 CB PRO A 105 1.876 -24.697 -4.692 1.00 0.00 C ATOM 1612 CG PRO A 105 1.211 -23.412 -4.334 1.00 0.00 C ATOM 1613 CD PRO A 105 1.927 -22.901 -3.114 1.00 0.00 C ATOM 0 HA PRO A 105 3.829 -25.413 -3.948 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.781 -24.909 -5.757 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.429 -25.536 -4.159 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.277 -22.697 -5.154 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.151 -23.565 -4.129 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.961 -21.812 -3.095 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.434 -23.220 -2.196 1.00 0.00 H new ATOM 1621 N ASP A 106 4.296 -22.726 -5.641 1.00 0.00 N ATOM 1622 CA ASP A 106 5.059 -22.156 -6.745 1.00 0.00 C ATOM 1623 C ASP A 106 6.557 -22.324 -6.515 1.00 0.00 C ATOM 1624 O ASP A 106 7.253 -22.949 -7.315 1.00 0.00 O ATOM 1625 CB ASP A 106 4.719 -20.675 -6.916 1.00 0.00 C ATOM 1626 CG ASP A 106 4.990 -20.177 -8.321 1.00 0.00 C ATOM 1627 OD1 ASP A 106 6.156 -20.253 -8.764 1.00 0.00 O ATOM 1628 OD2 ASP A 106 4.038 -19.711 -8.980 1.00 0.00 O ATOM 0 H ASP A 106 3.886 -22.036 -5.011 1.00 0.00 H new ATOM 0 HA ASP A 106 4.788 -22.691 -7.656 1.00 0.00 H new ATOM 0 HB2 ASP A 106 3.668 -20.516 -6.674 1.00 0.00 H new ATOM 0 HB3 ASP A 106 5.302 -20.087 -6.207 1.00 0.00 H new ATOM 1633 N VAL A 107 7.049 -21.761 -5.415 1.00 0.00 N ATOM 1634 CA VAL A 107 8.464 -21.849 -5.079 1.00 0.00 C ATOM 1635 C VAL A 107 8.934 -23.299 -5.046 1.00 0.00 C ATOM 1636 O VAL A 107 10.124 -23.581 -5.174 1.00 0.00 O ATOM 1637 CB VAL A 107 8.759 -21.194 -3.716 1.00 0.00 C ATOM 1638 CG1 VAL A 107 8.527 -19.693 -3.783 1.00 0.00 C ATOM 1639 CG2 VAL A 107 7.907 -21.828 -2.626 1.00 0.00 C ATOM 0 H VAL A 107 6.487 -21.239 -4.742 1.00 0.00 H new ATOM 0 HA VAL A 107 9.007 -21.313 -5.857 1.00 0.00 H new ATOM 0 HB VAL A 107 9.807 -21.363 -3.470 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.740 -19.248 -2.811 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.185 -19.256 -4.534 1.00 0.00 H new ATOM 0 HG13 VAL A 107 7.489 -19.497 -4.052 1.00 0.00 H new ATOM 0 HG21 VAL A 107 8.128 -21.354 -1.670 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.852 -21.692 -2.864 1.00 0.00 H new ATOM 0 HG23 VAL A 107 8.130 -22.893 -2.563 1.00 0.00 H new ATOM 1649 N GLY A 108 7.987 -24.218 -4.874 1.00 0.00 N ATOM 1650 CA GLY A 108 8.323 -25.628 -4.829 1.00 0.00 C ATOM 1651 C GLY A 108 8.908 -26.129 -6.134 1.00 0.00 C ATOM 1652 O GLY A 108 9.860 -26.909 -6.136 1.00 0.00 O ATOM 0 H GLY A 108 6.994 -24.010 -4.765 1.00 0.00 H new ATOM 0 HA2 GLY A 108 9.037 -25.802 -4.024 1.00 0.00 H new ATOM 0 HA3 GLY A 108 7.428 -26.204 -4.591 1.00 0.00 H new ATOM 1656 N ARG A 109 8.338 -25.679 -7.247 1.00 0.00 N ATOM 1657 CA ARG A 109 8.807 -26.089 -8.565 1.00 0.00 C ATOM 1658 C ARG A 109 10.275 -25.722 -8.757 1.00 0.00 C ATOM 1659 O ARG A 109 11.048 -26.490 -9.329 1.00 0.00 O ATOM 1660 CB ARG A 109 7.959 -25.434 -9.658 1.00 0.00 C ATOM 1661 CG ARG A 109 6.469 -25.692 -9.509 1.00 0.00 C ATOM 1662 CD ARG A 109 5.646 -24.651 -10.253 1.00 0.00 C ATOM 1663 NE ARG A 109 4.264 -24.609 -9.784 1.00 0.00 N ATOM 1664 CZ ARG A 109 3.379 -25.570 -10.021 1.00 0.00 C ATOM 1665 NH1 ARG A 109 3.729 -26.643 -10.716 1.00 0.00 N ATOM 1666 NH2 ARG A 109 2.139 -25.460 -9.560 1.00 0.00 N ATOM 0 H ARG A 109 7.551 -25.030 -7.262 1.00 0.00 H new ATOM 0 HA ARG A 109 8.708 -27.172 -8.638 1.00 0.00 H new ATOM 0 HB2 ARG A 109 8.136 -24.358 -9.648 1.00 0.00 H new ATOM 0 HB3 ARG A 109 8.287 -25.802 -10.630 1.00 0.00 H new ATOM 0 HG2 ARG A 109 6.231 -26.685 -9.889 1.00 0.00 H new ATOM 0 HG3 ARG A 109 6.201 -25.682 -8.453 1.00 0.00 H new ATOM 0 HD2 ARG A 109 6.102 -23.669 -10.125 1.00 0.00 H new ATOM 0 HD3 ARG A 109 5.660 -24.873 -11.320 1.00 0.00 H new ATOM 0 HE ARG A 109 3.962 -23.797 -9.245 1.00 0.00 H new ATOM 0 HH11 ARG A 109 4.681 -26.733 -11.071 1.00 0.00 H new ATOM 0 HH12 ARG A 109 3.046 -27.379 -10.896 1.00 0.00 H new ATOM 0 HH21 ARG A 109 1.866 -24.637 -9.023 1.00 0.00 H new ATOM 0 HH22 ARG A 109 1.460 -26.199 -9.742 1.00 0.00 H new ATOM 1680 N MET A 110 10.654 -24.541 -8.275 1.00 0.00 N ATOM 1681 CA MET A 110 12.029 -24.074 -8.394 1.00 0.00 C ATOM 1682 C MET A 110 12.948 -24.841 -7.448 1.00 0.00 C ATOM 1683 O MET A 110 14.046 -25.246 -7.826 1.00 0.00 O ATOM 1684 CB MET A 110 12.108 -22.575 -8.095 1.00 0.00 C ATOM 1685 CG MET A 110 11.213 -21.730 -8.987 1.00 0.00 C ATOM 1686 SD MET A 110 11.781 -20.025 -9.125 1.00 0.00 S ATOM 1687 CE MET A 110 11.308 -19.380 -7.522 1.00 0.00 C ATOM 0 H MET A 110 10.028 -23.892 -7.799 1.00 0.00 H new ATOM 0 HA MET A 110 12.360 -24.252 -9.417 1.00 0.00 H new ATOM 0 HB2 MET A 110 11.834 -22.405 -7.054 1.00 0.00 H new ATOM 0 HB3 MET A 110 13.140 -22.243 -8.211 1.00 0.00 H new ATOM 0 HG2 MET A 110 11.171 -22.176 -9.980 1.00 0.00 H new ATOM 0 HG3 MET A 110 10.198 -21.740 -8.590 1.00 0.00 H new ATOM 0 HE1 MET A 110 11.687 -18.364 -7.412 1.00 0.00 H new ATOM 0 HE2 MET A 110 10.221 -19.372 -7.439 1.00 0.00 H new ATOM 0 HE3 MET A 110 11.727 -20.011 -6.738 1.00 0.00 H new ATOM 1697 N GLY A 111 12.490 -25.037 -6.215 1.00 0.00 N ATOM 1698 CA GLY A 111 13.284 -25.756 -5.235 1.00 0.00 C ATOM 1699 C GLY A 111 13.435 -24.989 -3.936 1.00 0.00 C ATOM 1700 O GLY A 111 14.392 -25.199 -3.190 1.00 0.00 O ATOM 0 H GLY A 111 11.584 -24.711 -5.877 1.00 0.00 H new ATOM 0 HA2 GLY A 111 12.819 -26.721 -5.032 1.00 0.00 H new ATOM 0 HA3 GLY A 111 14.271 -25.959 -5.650 1.00 0.00 H new ATOM 1704 N ILE A 112 12.489 -24.095 -3.665 1.00 0.00 N ATOM 1705 CA ILE A 112 12.522 -23.293 -2.449 1.00 0.00 C ATOM 1706 C ILE A 112 11.259 -23.501 -1.619 1.00 0.00 C ATOM 1707 O ILE A 112 10.161 -23.617 -2.163 1.00 0.00 O ATOM 1708 CB ILE A 112 12.673 -21.794 -2.765 1.00 0.00 C ATOM 1709 CG1 ILE A 112 13.911 -21.557 -3.634 1.00 0.00 C ATOM 1710 CG2 ILE A 112 12.760 -20.987 -1.479 1.00 0.00 C ATOM 1711 CD1 ILE A 112 15.201 -22.001 -2.982 1.00 0.00 C ATOM 0 H ILE A 112 11.691 -23.908 -4.272 1.00 0.00 H new ATOM 0 HA ILE A 112 13.389 -23.624 -1.878 1.00 0.00 H new ATOM 0 HB ILE A 112 11.794 -21.464 -3.318 1.00 0.00 H new ATOM 0 HG12 ILE A 112 13.789 -22.088 -4.578 1.00 0.00 H new ATOM 0 HG13 ILE A 112 13.980 -20.496 -3.872 1.00 0.00 H new ATOM 0 HG21 ILE A 112 12.867 -19.929 -1.720 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.853 -21.136 -0.894 1.00 0.00 H new ATOM 0 HG23 ILE A 112 13.623 -21.316 -0.901 1.00 0.00 H new ATOM 0 HD11 ILE A 112 16.036 -21.803 -3.655 1.00 0.00 H new ATOM 0 HD12 ILE A 112 15.346 -21.452 -2.052 1.00 0.00 H new ATOM 0 HD13 ILE A 112 15.152 -23.069 -2.769 1.00 0.00 H new ATOM 1723 N GLU A 113 11.423 -23.545 -0.301 1.00 0.00 N ATOM 1724 CA GLU A 113 10.296 -23.738 0.603 1.00 0.00 C ATOM 1725 C GLU A 113 10.077 -22.502 1.472 1.00 0.00 C ATOM 1726 O GLU A 113 11.031 -21.914 1.983 1.00 0.00 O ATOM 1727 CB GLU A 113 10.528 -24.962 1.490 1.00 0.00 C ATOM 1728 CG GLU A 113 9.388 -25.238 2.457 1.00 0.00 C ATOM 1729 CD GLU A 113 9.384 -26.669 2.961 1.00 0.00 C ATOM 1730 OE1 GLU A 113 9.525 -27.590 2.131 1.00 0.00 O ATOM 1731 OE2 GLU A 113 9.239 -26.865 4.186 1.00 0.00 O ATOM 0 H GLU A 113 12.326 -23.450 0.164 1.00 0.00 H new ATOM 0 HA GLU A 113 9.403 -23.900 -0.001 1.00 0.00 H new ATOM 0 HB2 GLU A 113 10.676 -25.837 0.856 1.00 0.00 H new ATOM 0 HB3 GLU A 113 11.448 -24.820 2.057 1.00 0.00 H new ATOM 0 HG2 GLU A 113 9.464 -24.558 3.306 1.00 0.00 H new ATOM 0 HG3 GLU A 113 8.439 -25.028 1.964 1.00 0.00 H new ATOM 1738 N ILE A 114 8.816 -22.114 1.631 1.00 0.00 N ATOM 1739 CA ILE A 114 8.473 -20.949 2.438 1.00 0.00 C ATOM 1740 C ILE A 114 8.193 -21.344 3.883 1.00 0.00 C ATOM 1741 O ILE A 114 7.621 -22.402 4.150 1.00 0.00 O ATOM 1742 CB ILE A 114 7.244 -20.215 1.870 1.00 0.00 C ATOM 1743 CG1 ILE A 114 5.979 -21.048 2.089 1.00 0.00 C ATOM 1744 CG2 ILE A 114 7.440 -19.918 0.391 1.00 0.00 C ATOM 1745 CD1 ILE A 114 5.281 -20.755 3.399 1.00 0.00 C ATOM 0 H ILE A 114 8.016 -22.588 1.212 1.00 0.00 H new ATOM 0 HA ILE A 114 9.333 -20.279 2.408 1.00 0.00 H new ATOM 0 HB ILE A 114 7.129 -19.268 2.398 1.00 0.00 H new ATOM 0 HG12 ILE A 114 5.286 -20.864 1.268 1.00 0.00 H new ATOM 0 HG13 ILE A 114 6.240 -22.106 2.054 1.00 0.00 H new ATOM 0 HG21 ILE A 114 6.563 -19.399 0.005 1.00 0.00 H new ATOM 0 HG22 ILE A 114 8.321 -19.289 0.260 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.577 -20.853 -0.153 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.393 -21.381 3.486 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.957 -20.967 4.227 1.00 0.00 H new ATOM 0 HD13 ILE A 114 4.989 -19.705 3.429 1.00 0.00 H new ATOM 1757 N LEU A 115 8.597 -20.486 4.814 1.00 0.00 N ATOM 1758 CA LEU A 115 8.388 -20.744 6.234 1.00 0.00 C ATOM 1759 C LEU A 115 7.048 -20.181 6.699 1.00 0.00 C ATOM 1760 O LEU A 115 6.246 -20.887 7.309 1.00 0.00 O ATOM 1761 CB LEU A 115 9.524 -20.132 7.056 1.00 0.00 C ATOM 1762 CG LEU A 115 10.911 -20.741 6.842 1.00 0.00 C ATOM 1763 CD1 LEU A 115 10.846 -22.258 6.929 1.00 0.00 C ATOM 1764 CD2 LEU A 115 11.484 -20.305 5.502 1.00 0.00 C ATOM 0 H LEU A 115 9.071 -19.606 4.611 1.00 0.00 H new ATOM 0 HA LEU A 115 8.379 -21.824 6.384 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.578 -19.067 6.828 1.00 0.00 H new ATOM 0 HB3 LEU A 115 9.270 -20.220 8.112 1.00 0.00 H new ATOM 0 HG LEU A 115 11.571 -20.380 7.631 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.841 -22.674 6.774 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.479 -22.551 7.913 1.00 0.00 H new ATOM 0 HD13 LEU A 115 10.171 -22.638 6.162 1.00 0.00 H new ATOM 0 HD21 LEU A 115 12.471 -20.748 5.367 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.825 -20.636 4.699 1.00 0.00 H new ATOM 0 HD23 LEU A 115 11.567 -19.218 5.478 1.00 0.00 H new ATOM 1776 N SER A 116 6.814 -18.907 6.404 1.00 0.00 N ATOM 1777 CA SER A 116 5.572 -18.248 6.792 1.00 0.00 C ATOM 1778 C SER A 116 5.407 -16.922 6.057 1.00 0.00 C ATOM 1779 O SER A 116 6.307 -16.480 5.341 1.00 0.00 O ATOM 1780 CB SER A 116 5.546 -18.013 8.304 1.00 0.00 C ATOM 1781 OG SER A 116 4.223 -17.810 8.766 1.00 0.00 O ATOM 0 H SER A 116 7.468 -18.310 5.898 1.00 0.00 H new ATOM 0 HA SER A 116 4.743 -18.900 6.518 1.00 0.00 H new ATOM 0 HB2 SER A 116 5.986 -18.869 8.816 1.00 0.00 H new ATOM 0 HB3 SER A 116 6.158 -17.145 8.551 1.00 0.00 H new ATOM 0 HG SER A 116 4.234 -17.664 9.735 1.00 0.00 H new ATOM 1787 N PHE A 117 4.251 -16.292 6.238 1.00 0.00 N ATOM 1788 CA PHE A 117 3.966 -15.017 5.591 1.00 0.00 C ATOM 1789 C PHE A 117 3.125 -14.123 6.497 1.00 0.00 C ATOM 1790 O PHE A 117 2.146 -14.570 7.096 1.00 0.00 O ATOM 1791 CB PHE A 117 3.239 -15.245 4.263 1.00 0.00 C ATOM 1792 CG PHE A 117 3.344 -14.086 3.315 1.00 0.00 C ATOM 1793 CD1 PHE A 117 2.727 -12.879 3.604 1.00 0.00 C ATOM 1794 CD2 PHE A 117 4.061 -14.202 2.135 1.00 0.00 C ATOM 1795 CE1 PHE A 117 2.822 -11.810 2.732 1.00 0.00 C ATOM 1796 CE2 PHE A 117 4.160 -13.137 1.259 1.00 0.00 C ATOM 1797 CZ PHE A 117 3.540 -11.939 1.559 1.00 0.00 C ATOM 0 H PHE A 117 3.497 -16.644 6.827 1.00 0.00 H new ATOM 0 HA PHE A 117 4.915 -14.517 5.396 1.00 0.00 H new ATOM 0 HB2 PHE A 117 3.647 -16.135 3.783 1.00 0.00 H new ATOM 0 HB3 PHE A 117 2.187 -15.445 4.464 1.00 0.00 H new ATOM 0 HD1 PHE A 117 2.166 -12.772 4.521 1.00 0.00 H new ATOM 0 HD2 PHE A 117 4.548 -15.136 1.897 1.00 0.00 H new ATOM 0 HE1 PHE A 117 2.335 -10.875 2.968 1.00 0.00 H new ATOM 0 HE2 PHE A 117 4.721 -13.241 0.342 1.00 0.00 H new ATOM 0 HZ PHE A 117 3.617 -11.105 0.877 1.00 0.00 H new ATOM 1807 N THR A 118 3.514 -12.856 6.594 1.00 0.00 N ATOM 1808 CA THR A 118 2.799 -11.898 7.428 1.00 0.00 C ATOM 1809 C THR A 118 2.914 -10.486 6.867 1.00 0.00 C ATOM 1810 O THR A 118 3.675 -10.240 5.931 1.00 0.00 O ATOM 1811 CB THR A 118 3.328 -11.909 8.875 1.00 0.00 C ATOM 1812 OG1 THR A 118 3.570 -13.255 9.299 1.00 0.00 O ATOM 1813 CG2 THR A 118 2.336 -11.245 9.819 1.00 0.00 C ATOM 0 H THR A 118 4.321 -12.469 6.105 1.00 0.00 H new ATOM 0 HA THR A 118 1.752 -12.200 7.429 1.00 0.00 H new ATOM 0 HB THR A 118 4.262 -11.348 8.901 1.00 0.00 H new ATOM 0 HG1 THR A 118 3.907 -13.252 10.219 1.00 0.00 H new ATOM 0 HG21 THR A 118 2.731 -11.265 10.835 1.00 0.00 H new ATOM 0 HG22 THR A 118 2.177 -10.211 9.511 1.00 0.00 H new ATOM 0 HG23 THR A 118 1.388 -11.783 9.788 1.00 0.00 H new ATOM 1821 N ILE A 119 2.155 -9.561 7.445 1.00 0.00 N ATOM 1822 CA ILE A 119 2.174 -8.172 7.002 1.00 0.00 C ATOM 1823 C ILE A 119 2.973 -7.299 7.965 1.00 0.00 C ATOM 1824 O ILE A 119 2.904 -7.473 9.181 1.00 0.00 O ATOM 1825 CB ILE A 119 0.749 -7.602 6.874 1.00 0.00 C ATOM 1826 CG1 ILE A 119 0.007 -8.282 5.720 1.00 0.00 C ATOM 1827 CG2 ILE A 119 0.797 -6.096 6.665 1.00 0.00 C ATOM 1828 CD1 ILE A 119 0.806 -8.338 4.438 1.00 0.00 C ATOM 0 H ILE A 119 1.520 -9.748 8.221 1.00 0.00 H new ATOM 0 HA ILE A 119 2.651 -8.160 6.022 1.00 0.00 H new ATOM 0 HB ILE A 119 0.208 -7.803 7.799 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -0.259 -9.296 6.017 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -0.926 -7.749 5.534 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -0.218 -5.708 6.576 1.00 0.00 H new ATOM 0 HG22 ILE A 119 1.292 -5.626 7.515 1.00 0.00 H new ATOM 0 HG23 ILE A 119 1.352 -5.873 5.754 1.00 0.00 H new ATOM 0 HD11 ILE A 119 0.219 -8.833 3.664 1.00 0.00 H new ATOM 0 HD12 ILE A 119 1.050 -7.325 4.117 1.00 0.00 H new ATOM 0 HD13 ILE A 119 1.727 -8.896 4.607 1.00 0.00 H new ATOM 1840 N LYS A 120 3.731 -6.359 7.411 1.00 0.00 N ATOM 1841 CA LYS A 120 4.542 -5.456 8.220 1.00 0.00 C ATOM 1842 C LYS A 120 3.820 -4.131 8.443 1.00 0.00 C ATOM 1843 O LYS A 120 3.656 -3.687 9.580 1.00 0.00 O ATOM 1844 CB LYS A 120 5.891 -5.206 7.542 1.00 0.00 C ATOM 1845 CG LYS A 120 6.687 -4.074 8.171 1.00 0.00 C ATOM 1846 CD LYS A 120 8.183 -4.306 8.042 1.00 0.00 C ATOM 1847 CE LYS A 120 8.970 -3.387 8.965 1.00 0.00 C ATOM 1848 NZ LYS A 120 8.985 -1.983 8.467 1.00 0.00 N ATOM 0 H LYS A 120 3.801 -6.202 6.406 1.00 0.00 H new ATOM 0 HA LYS A 120 4.710 -5.926 9.189 1.00 0.00 H new ATOM 0 HB2 LYS A 120 6.483 -6.121 7.581 1.00 0.00 H new ATOM 0 HB3 LYS A 120 5.723 -4.980 6.489 1.00 0.00 H new ATOM 0 HG2 LYS A 120 6.421 -3.131 7.692 1.00 0.00 H new ATOM 0 HG3 LYS A 120 6.421 -3.983 9.224 1.00 0.00 H new ATOM 0 HD2 LYS A 120 8.413 -5.345 8.278 1.00 0.00 H new ATOM 0 HD3 LYS A 120 8.491 -4.138 7.010 1.00 0.00 H new ATOM 0 HE2 LYS A 120 8.533 -3.414 9.963 1.00 0.00 H new ATOM 0 HE3 LYS A 120 9.993 -3.752 9.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 9.531 -1.388 9.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 9.425 -1.953 7.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 8.010 -1.626 8.405 1.00 0.00 H new ATOM 1862 N ASP A 121 3.392 -3.505 7.354 1.00 0.00 N ATOM 1863 CA ASP A 121 2.685 -2.231 7.432 1.00 0.00 C ATOM 1864 C ASP A 121 2.014 -1.899 6.103 1.00 0.00 C ATOM 1865 O ASP A 121 2.611 -2.055 5.038 1.00 0.00 O ATOM 1866 CB ASP A 121 3.650 -1.111 7.823 1.00 0.00 C ATOM 1867 CG ASP A 121 3.731 -0.915 9.325 1.00 0.00 C ATOM 1868 OD1 ASP A 121 2.667 -0.897 9.978 1.00 0.00 O ATOM 1869 OD2 ASP A 121 4.858 -0.778 9.847 1.00 0.00 O ATOM 0 H ASP A 121 3.522 -3.858 6.406 1.00 0.00 H new ATOM 0 HA ASP A 121 1.913 -2.319 8.196 1.00 0.00 H new ATOM 0 HB2 ASP A 121 4.643 -1.339 7.435 1.00 0.00 H new ATOM 0 HB3 ASP A 121 3.331 -0.180 7.355 1.00 0.00 H new ATOM 1874 N VAL A 122 0.768 -1.441 6.173 1.00 0.00 N ATOM 1875 CA VAL A 122 0.016 -1.087 4.976 1.00 0.00 C ATOM 1876 C VAL A 122 -0.569 0.317 5.088 1.00 0.00 C ATOM 1877 O VAL A 122 -1.284 0.627 6.042 1.00 0.00 O ATOM 1878 CB VAL A 122 -1.126 -2.087 4.714 1.00 0.00 C ATOM 1879 CG1 VAL A 122 -0.572 -3.488 4.502 1.00 0.00 C ATOM 1880 CG2 VAL A 122 -2.125 -2.068 5.862 1.00 0.00 C ATOM 0 H VAL A 122 0.258 -1.307 7.046 1.00 0.00 H new ATOM 0 HA VAL A 122 0.717 -1.120 4.142 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.646 -1.787 3.804 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -1.394 -4.180 4.318 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.101 -3.487 3.644 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -0.025 -3.802 5.391 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -2.925 -2.780 5.660 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -1.620 -2.342 6.788 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -2.546 -1.068 5.961 1.00 0.00 H new ATOM 1890 N TYR A 123 -0.262 1.160 4.110 1.00 0.00 N ATOM 1891 CA TYR A 123 -0.756 2.533 4.100 1.00 0.00 C ATOM 1892 C TYR A 123 -1.218 2.935 2.704 1.00 0.00 C ATOM 1893 O TYR A 123 -1.057 2.182 1.742 1.00 0.00 O ATOM 1894 CB TYR A 123 0.333 3.491 4.586 1.00 0.00 C ATOM 1895 CG TYR A 123 1.635 3.362 3.828 1.00 0.00 C ATOM 1896 CD1 TYR A 123 2.576 2.403 4.184 1.00 0.00 C ATOM 1897 CD2 TYR A 123 1.927 4.199 2.759 1.00 0.00 C ATOM 1898 CE1 TYR A 123 3.768 2.281 3.495 1.00 0.00 C ATOM 1899 CE2 TYR A 123 3.115 4.083 2.063 1.00 0.00 C ATOM 1900 CZ TYR A 123 4.032 3.123 2.436 1.00 0.00 C ATOM 1901 OH TYR A 123 5.218 3.006 1.747 1.00 0.00 O ATOM 0 H TYR A 123 0.327 0.918 3.313 1.00 0.00 H new ATOM 0 HA TYR A 123 -1.610 2.591 4.775 1.00 0.00 H new ATOM 0 HB2 TYR A 123 -0.030 4.515 4.497 1.00 0.00 H new ATOM 0 HB3 TYR A 123 0.519 3.309 5.645 1.00 0.00 H new ATOM 0 HD1 TYR A 123 2.372 1.742 5.013 1.00 0.00 H new ATOM 0 HD2 TYR A 123 1.213 4.954 2.466 1.00 0.00 H new ATOM 0 HE1 TYR A 123 4.488 1.530 3.785 1.00 0.00 H new ATOM 0 HE2 TYR A 123 3.324 4.740 1.232 1.00 0.00 H new ATOM 0 HH TYR A 123 5.642 2.151 1.969 1.00 0.00 H new ATOM 1911 N ASP A 124 -1.794 4.128 2.600 1.00 0.00 N ATOM 1912 CA ASP A 124 -2.281 4.632 1.321 1.00 0.00 C ATOM 1913 C ASP A 124 -1.476 5.850 0.877 1.00 0.00 C ATOM 1914 O ASP A 124 -1.207 6.754 1.669 1.00 0.00 O ATOM 1915 CB ASP A 124 -3.763 4.995 1.421 1.00 0.00 C ATOM 1916 CG ASP A 124 -4.447 5.014 0.068 1.00 0.00 C ATOM 1917 OD1 ASP A 124 -3.743 5.179 -0.951 1.00 0.00 O ATOM 1918 OD2 ASP A 124 -5.685 4.863 0.028 1.00 0.00 O ATOM 0 H ASP A 124 -1.935 4.763 3.385 1.00 0.00 H new ATOM 0 HA ASP A 124 -2.158 3.844 0.578 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -4.267 4.278 2.069 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -3.863 5.974 1.889 1.00 0.00 H new