USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=19 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 94 GLN : amide:sc= -0.359 K(o=-0.36,f=-1.9!) USER MOD Set 1.2: A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 71 THR OG1 : rot -120:sc= 0 USER MOD Set 2.2: A 110 MET CE :methyl -169:sc= -5.36! (180deg=-5.92!) USER MOD Set 3.1: A 16 THR OG1 : rot 180:sc= -0.0675 USER MOD Set 3.2: A 39 GLN : amide:sc= -0.439 K(o=-0.51,f=-3) USER MOD Single : A 15 MET CE :methyl -163:sc= -1.09 (180deg=-2.81!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 21 CYS SG : rot 180:sc= -0.166 USER MOD Single : A 26 THR OG1 : rot 157:sc= -0.316 USER MOD Single : A 33 THR OG1 : rot 76:sc= 0.0328 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -110:sc= -2.43 (180deg=-5.58!) USER MOD Single : A 53 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 GLN :FLIP amide:sc=-6.29e-05 F(o=-0.91,f=-6.3e-05) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0.854 K(o=0.85,f=0) USER MOD Single : A 70 GLN : amide:sc= -0.97 K(o=-0.97,f=-3.4!) USER MOD Single : A 75 HIS :FLIP no HD1:sc= -2.54 F(o=-4.9!,f=-2.5) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -29:sc= 0.121! USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.0598 X(o=-0.06,f=-0.52) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc=-0.000515 K(o=-0.00051,f=-0.9) USER MOD Single : A 116 SER OG : rot 36:sc= 0.725 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 171 N ILE A 14 19.238 -18.693 6.072 1.00 0.00 N ATOM 172 CA ILE A 14 17.876 -18.224 5.852 1.00 0.00 C ATOM 173 C ILE A 14 17.861 -16.766 5.404 1.00 0.00 C ATOM 174 O ILE A 14 18.372 -15.889 6.098 1.00 0.00 O ATOM 175 CB ILE A 14 17.020 -18.367 7.125 1.00 0.00 C ATOM 176 CG1 ILE A 14 16.944 -19.834 7.552 1.00 0.00 C ATOM 177 CG2 ILE A 14 15.626 -17.804 6.892 1.00 0.00 C ATOM 178 CD1 ILE A 14 16.467 -20.024 8.975 1.00 0.00 C ATOM 0 HA ILE A 14 17.451 -18.847 5.065 1.00 0.00 H new ATOM 0 HB ILE A 14 17.490 -17.799 7.927 1.00 0.00 H new ATOM 0 HG12 ILE A 14 16.273 -20.366 6.878 1.00 0.00 H new ATOM 0 HG13 ILE A 14 17.929 -20.287 7.444 1.00 0.00 H new ATOM 0 HG21 ILE A 14 15.033 -17.912 7.800 1.00 0.00 H new ATOM 0 HG22 ILE A 14 15.699 -16.748 6.630 1.00 0.00 H new ATOM 0 HG23 ILE A 14 15.145 -18.347 6.078 1.00 0.00 H new ATOM 0 HD11 ILE A 14 16.437 -21.088 9.210 1.00 0.00 H new ATOM 0 HD12 ILE A 14 17.151 -19.520 9.658 1.00 0.00 H new ATOM 0 HD13 ILE A 14 15.468 -19.601 9.084 1.00 0.00 H new ATOM 190 N MET A 15 17.270 -16.517 4.240 1.00 0.00 N ATOM 191 CA MET A 15 17.186 -15.165 3.701 1.00 0.00 C ATOM 192 C MET A 15 15.816 -14.554 3.977 1.00 0.00 C ATOM 193 O MET A 15 14.784 -15.166 3.703 1.00 0.00 O ATOM 194 CB MET A 15 17.458 -15.175 2.195 1.00 0.00 C ATOM 195 CG MET A 15 16.380 -15.881 1.388 1.00 0.00 C ATOM 196 SD MET A 15 16.849 -16.120 -0.337 1.00 0.00 S ATOM 197 CE MET A 15 16.202 -17.762 -0.639 1.00 0.00 C ATOM 0 H MET A 15 16.843 -17.233 3.653 1.00 0.00 H new ATOM 0 HA MET A 15 17.943 -14.556 4.196 1.00 0.00 H new ATOM 0 HB2 MET A 15 17.549 -14.147 1.844 1.00 0.00 H new ATOM 0 HB3 MET A 15 18.416 -15.661 2.010 1.00 0.00 H new ATOM 0 HG2 MET A 15 16.168 -16.850 1.841 1.00 0.00 H new ATOM 0 HG3 MET A 15 15.459 -15.300 1.433 1.00 0.00 H new ATOM 0 HE1 MET A 15 16.661 -18.174 -1.538 1.00 0.00 H new ATOM 0 HE2 MET A 15 16.429 -18.405 0.212 1.00 0.00 H new ATOM 0 HE3 MET A 15 15.122 -17.708 -0.775 1.00 0.00 H new ATOM 207 N THR A 16 15.813 -13.340 4.522 1.00 0.00 N ATOM 208 CA THR A 16 14.571 -12.647 4.837 1.00 0.00 C ATOM 209 C THR A 16 14.146 -11.734 3.693 1.00 0.00 C ATOM 210 O THR A 16 14.810 -10.738 3.400 1.00 0.00 O ATOM 211 CB THR A 16 14.704 -11.812 6.124 1.00 0.00 C ATOM 212 OG1 THR A 16 15.107 -12.650 7.213 1.00 0.00 O ATOM 213 CG2 THR A 16 13.389 -11.128 6.465 1.00 0.00 C ATOM 0 H THR A 16 16.658 -12.818 4.754 1.00 0.00 H new ATOM 0 HA THR A 16 13.811 -13.413 4.988 1.00 0.00 H new ATOM 0 HB THR A 16 15.461 -11.046 5.956 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.190 -12.111 8.027 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.508 -10.544 7.378 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.100 -10.468 5.647 1.00 0.00 H new ATOM 0 HG23 THR A 16 12.615 -11.881 6.614 1.00 0.00 H new ATOM 221 N LEU A 17 13.036 -12.076 3.050 1.00 0.00 N ATOM 222 CA LEU A 17 12.521 -11.285 1.937 1.00 0.00 C ATOM 223 C LEU A 17 11.181 -10.649 2.295 1.00 0.00 C ATOM 224 O LEU A 17 10.231 -11.343 2.654 1.00 0.00 O ATOM 225 CB LEU A 17 12.367 -12.160 0.692 1.00 0.00 C ATOM 226 CG LEU A 17 13.508 -13.139 0.415 1.00 0.00 C ATOM 227 CD1 LEU A 17 13.156 -14.053 -0.750 1.00 0.00 C ATOM 228 CD2 LEU A 17 14.800 -12.387 0.132 1.00 0.00 C ATOM 0 H LEU A 17 12.474 -12.896 3.280 1.00 0.00 H new ATOM 0 HA LEU A 17 13.236 -10.489 1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.441 -12.728 0.784 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.256 -11.508 -0.174 1.00 0.00 H new ATOM 0 HG LEU A 17 13.656 -13.754 1.302 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.980 -14.743 -0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.256 -14.618 -0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 17 12.980 -13.453 -1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 17 15.601 -13.100 -0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 17 14.665 -11.746 -0.739 1.00 0.00 H new ATOM 0 HD23 LEU A 17 15.061 -11.775 0.995 1.00 0.00 H new ATOM 240 N GLN A 18 11.114 -9.325 2.192 1.00 0.00 N ATOM 241 CA GLN A 18 9.891 -8.597 2.503 1.00 0.00 C ATOM 242 C GLN A 18 9.165 -8.180 1.228 1.00 0.00 C ATOM 243 O GLN A 18 9.488 -7.171 0.602 1.00 0.00 O ATOM 244 CB GLN A 18 10.208 -7.362 3.349 1.00 0.00 C ATOM 245 CG GLN A 18 10.805 -7.693 4.708 1.00 0.00 C ATOM 246 CD GLN A 18 11.477 -6.499 5.356 1.00 0.00 C ATOM 247 OE1 GLN A 18 10.974 -5.378 5.290 1.00 0.00 O ATOM 248 NE2 GLN A 18 12.621 -6.735 5.989 1.00 0.00 N ATOM 0 H GLN A 18 11.892 -8.736 1.896 1.00 0.00 H new ATOM 0 HA GLN A 18 9.239 -9.261 3.070 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.903 -6.725 2.801 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.294 -6.786 3.493 1.00 0.00 H new ATOM 0 HG2 GLN A 18 10.019 -8.064 5.366 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.532 -8.497 4.595 1.00 0.00 H new ATOM 0 HE21 GLN A 18 13.002 -7.681 6.019 1.00 0.00 H new ATOM 0 HE22 GLN A 18 13.119 -5.970 6.445 1.00 0.00 H new ATOM 257 N PRO A 19 8.161 -8.977 0.831 1.00 0.00 N ATOM 258 CA PRO A 19 7.369 -8.710 -0.374 1.00 0.00 C ATOM 259 C PRO A 19 6.470 -7.488 -0.218 1.00 0.00 C ATOM 260 O PRO A 19 5.308 -7.607 0.169 1.00 0.00 O ATOM 261 CB PRO A 19 6.525 -9.978 -0.530 1.00 0.00 C ATOM 262 CG PRO A 19 6.425 -10.539 0.846 1.00 0.00 C ATOM 263 CD PRO A 19 7.721 -10.197 1.528 1.00 0.00 C ATOM 0 HA PRO A 19 7.999 -8.491 -1.236 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.540 -9.750 -0.937 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.996 -10.685 -1.213 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.578 -10.111 1.381 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.272 -11.618 0.817 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.580 -10.022 2.595 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.451 -11.001 1.431 1.00 0.00 H new ATOM 271 N ARG A 20 7.016 -6.316 -0.523 1.00 0.00 N ATOM 272 CA ARG A 20 6.263 -5.072 -0.416 1.00 0.00 C ATOM 273 C ARG A 20 5.786 -4.605 -1.789 1.00 0.00 C ATOM 274 O ARG A 20 6.495 -4.752 -2.786 1.00 0.00 O ATOM 275 CB ARG A 20 7.121 -3.985 0.234 1.00 0.00 C ATOM 276 CG ARG A 20 8.312 -3.563 -0.610 1.00 0.00 C ATOM 277 CD ARG A 20 8.786 -2.165 -0.244 1.00 0.00 C ATOM 278 NE ARG A 20 10.143 -1.906 -0.718 1.00 0.00 N ATOM 279 CZ ARG A 20 10.637 -0.687 -0.905 1.00 0.00 C ATOM 280 NH1 ARG A 20 9.888 0.379 -0.659 1.00 0.00 N ATOM 281 NH2 ARG A 20 11.881 -0.533 -1.338 1.00 0.00 N ATOM 0 H ARG A 20 7.977 -6.201 -0.846 1.00 0.00 H new ATOM 0 HA ARG A 20 5.390 -5.258 0.209 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.499 -3.112 0.431 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.479 -4.345 1.198 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.127 -4.273 -0.471 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.040 -3.592 -1.665 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.106 -1.428 -0.671 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.750 -2.042 0.838 1.00 0.00 H new ATOM 0 HE ARG A 20 10.745 -2.705 -0.916 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.931 0.264 -0.326 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.269 1.314 -0.803 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.460 -1.351 -1.528 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.259 0.404 -1.481 1.00 0.00 H new ATOM 295 N CYS A 21 4.583 -4.044 -1.833 1.00 0.00 N ATOM 296 CA CYS A 21 4.012 -3.556 -3.082 1.00 0.00 C ATOM 297 C CYS A 21 3.420 -2.162 -2.903 1.00 0.00 C ATOM 298 O CYS A 21 2.530 -1.958 -2.078 1.00 0.00 O ATOM 299 CB CYS A 21 2.936 -4.520 -3.586 1.00 0.00 C ATOM 300 SG CYS A 21 3.590 -6.001 -4.390 1.00 0.00 S ATOM 0 H CYS A 21 3.984 -3.916 -1.017 1.00 0.00 H new ATOM 0 HA CYS A 21 4.812 -3.498 -3.820 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.311 -4.822 -2.745 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.291 -3.993 -4.289 1.00 0.00 H new ATOM 0 HG CYS A 21 2.605 -6.754 -4.779 1.00 0.00 H new ATOM 306 N GLU A 22 3.922 -1.208 -3.680 1.00 0.00 N ATOM 307 CA GLU A 22 3.444 0.168 -3.604 1.00 0.00 C ATOM 308 C GLU A 22 2.860 0.615 -4.942 1.00 0.00 C ATOM 309 O GLU A 22 3.377 0.270 -6.004 1.00 0.00 O ATOM 310 CB GLU A 22 4.581 1.105 -3.192 1.00 0.00 C ATOM 311 CG GLU A 22 5.652 1.268 -4.259 1.00 0.00 C ATOM 312 CD GLU A 22 6.409 -0.018 -4.526 1.00 0.00 C ATOM 313 OE1 GLU A 22 7.302 -0.359 -3.723 1.00 0.00 O ATOM 314 OE2 GLU A 22 6.107 -0.684 -5.539 1.00 0.00 O ATOM 0 H GLU A 22 4.659 -1.362 -4.369 1.00 0.00 H new ATOM 0 HA GLU A 22 2.657 0.212 -2.851 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.165 2.084 -2.954 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.043 0.724 -2.281 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.189 1.611 -5.184 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.355 2.041 -3.948 1.00 0.00 H new ATOM 321 N ASP A 23 1.780 1.386 -4.881 1.00 0.00 N ATOM 322 CA ASP A 23 1.125 1.881 -6.085 1.00 0.00 C ATOM 323 C ASP A 23 0.404 0.753 -6.816 1.00 0.00 C ATOM 324 O ASP A 23 0.603 0.548 -8.013 1.00 0.00 O ATOM 325 CB ASP A 23 2.149 2.536 -7.015 1.00 0.00 C ATOM 326 CG ASP A 23 1.508 3.499 -7.995 1.00 0.00 C ATOM 327 OD1 ASP A 23 0.621 4.271 -7.576 1.00 0.00 O ATOM 328 OD2 ASP A 23 1.894 3.480 -9.183 1.00 0.00 O ATOM 0 H ASP A 23 1.340 1.682 -4.010 1.00 0.00 H new ATOM 0 HA ASP A 23 0.387 2.625 -5.787 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.889 3.069 -6.418 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.682 1.762 -7.567 1.00 0.00 H new ATOM 333 N VAL A 24 -0.434 0.024 -6.087 1.00 0.00 N ATOM 334 CA VAL A 24 -1.184 -1.085 -6.665 1.00 0.00 C ATOM 335 C VAL A 24 -2.683 -0.906 -6.447 1.00 0.00 C ATOM 336 O VAL A 24 -3.216 -1.279 -5.403 1.00 0.00 O ATOM 337 CB VAL A 24 -0.746 -2.434 -6.064 1.00 0.00 C ATOM 338 CG1 VAL A 24 0.666 -2.783 -6.508 1.00 0.00 C ATOM 339 CG2 VAL A 24 -0.843 -2.398 -4.546 1.00 0.00 C ATOM 0 H VAL A 24 -0.611 0.181 -5.095 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.972 -1.087 -7.734 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.418 -3.210 -6.430 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.958 -3.739 -6.074 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.699 -2.853 -7.595 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.355 -2.007 -6.174 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.530 -3.359 -4.139 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.196 -1.611 -4.159 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.873 -2.198 -4.252 1.00 0.00 H new ATOM 349 N GLU A 25 -3.356 -0.335 -7.441 1.00 0.00 N ATOM 350 CA GLU A 25 -4.794 -0.108 -7.357 1.00 0.00 C ATOM 351 C GLU A 25 -5.535 -1.411 -7.080 1.00 0.00 C ATOM 352 O GLU A 25 -5.444 -2.368 -7.851 1.00 0.00 O ATOM 353 CB GLU A 25 -5.310 0.520 -8.653 1.00 0.00 C ATOM 354 CG GLU A 25 -4.589 1.800 -9.039 1.00 0.00 C ATOM 355 CD GLU A 25 -5.326 2.588 -10.104 1.00 0.00 C ATOM 356 OE1 GLU A 25 -5.355 2.131 -11.267 1.00 0.00 O ATOM 357 OE2 GLU A 25 -5.875 3.660 -9.776 1.00 0.00 O ATOM 0 H GLU A 25 -2.929 -0.022 -8.313 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.980 0.578 -6.530 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.208 -0.203 -9.463 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.374 0.731 -8.546 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.464 2.423 -8.153 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.590 1.555 -9.400 1.00 0.00 H new ATOM 364 N THR A 26 -6.271 -1.444 -5.972 1.00 0.00 N ATOM 365 CA THR A 26 -7.028 -2.630 -5.592 1.00 0.00 C ATOM 366 C THR A 26 -8.061 -2.987 -6.654 1.00 0.00 C ATOM 367 O THR A 26 -8.135 -2.347 -7.702 1.00 0.00 O ATOM 368 CB THR A 26 -7.743 -2.431 -4.242 1.00 0.00 C ATOM 369 OG1 THR A 26 -8.613 -1.296 -4.312 1.00 0.00 O ATOM 370 CG2 THR A 26 -6.735 -2.234 -3.120 1.00 0.00 C ATOM 0 H THR A 26 -6.358 -0.662 -5.323 1.00 0.00 H new ATOM 0 HA THR A 26 -6.311 -3.446 -5.498 1.00 0.00 H new ATOM 0 HB THR A 26 -8.329 -3.326 -4.030 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.314 -1.379 -3.632 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.263 -2.095 -2.177 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.092 -3.111 -3.050 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.127 -1.354 -3.328 1.00 0.00 H new ATOM 378 N ALA A 27 -8.858 -4.014 -6.376 1.00 0.00 N ATOM 379 CA ALA A 27 -9.890 -4.455 -7.306 1.00 0.00 C ATOM 380 C ALA A 27 -10.699 -3.273 -7.829 1.00 0.00 C ATOM 381 O ALA A 27 -10.773 -3.045 -9.037 1.00 0.00 O ATOM 382 CB ALA A 27 -10.806 -5.469 -6.638 1.00 0.00 C ATOM 0 H ALA A 27 -8.808 -4.556 -5.513 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.399 -4.930 -8.155 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.571 -5.789 -7.345 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.222 -6.333 -6.320 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.282 -5.013 -5.770 1.00 0.00 H new ATOM 388 N GLU A 28 -11.304 -2.523 -6.913 1.00 0.00 N ATOM 389 CA GLU A 28 -12.108 -1.365 -7.283 1.00 0.00 C ATOM 390 C GLU A 28 -11.271 -0.343 -8.046 1.00 0.00 C ATOM 391 O GLU A 28 -11.632 0.076 -9.145 1.00 0.00 O ATOM 392 CB GLU A 28 -12.714 -0.717 -6.037 1.00 0.00 C ATOM 393 CG GLU A 28 -11.688 -0.381 -4.966 1.00 0.00 C ATOM 394 CD GLU A 28 -12.316 -0.178 -3.601 1.00 0.00 C ATOM 395 OE1 GLU A 28 -12.789 -1.173 -3.012 1.00 0.00 O ATOM 396 OE2 GLU A 28 -12.333 0.974 -3.120 1.00 0.00 O ATOM 0 H GLU A 28 -11.252 -2.697 -5.909 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.913 -1.707 -7.933 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.235 0.195 -6.329 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.461 -1.389 -5.615 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.953 -1.183 -4.908 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.151 0.523 -5.253 1.00 0.00 H new ATOM 403 N GLY A 29 -10.150 0.057 -7.453 1.00 0.00 N ATOM 404 CA GLY A 29 -9.279 1.027 -8.090 1.00 0.00 C ATOM 405 C GLY A 29 -8.649 1.982 -7.095 1.00 0.00 C ATOM 406 O GLY A 29 -8.719 3.199 -7.262 1.00 0.00 O ATOM 0 H GLY A 29 -9.830 -0.274 -6.543 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.493 0.503 -8.634 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.849 1.596 -8.824 1.00 0.00 H new ATOM 410 N VAL A 30 -8.032 1.428 -6.056 1.00 0.00 N ATOM 411 CA VAL A 30 -7.387 2.239 -5.029 1.00 0.00 C ATOM 412 C VAL A 30 -5.962 1.766 -4.771 1.00 0.00 C ATOM 413 O VAL A 30 -5.745 0.709 -4.177 1.00 0.00 O ATOM 414 CB VAL A 30 -8.177 2.201 -3.707 1.00 0.00 C ATOM 415 CG1 VAL A 30 -7.590 3.186 -2.707 1.00 0.00 C ATOM 416 CG2 VAL A 30 -9.648 2.497 -3.957 1.00 0.00 C ATOM 0 H VAL A 30 -7.965 0.422 -5.903 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.365 3.263 -5.401 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.098 1.199 -3.285 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.160 3.146 -1.779 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.551 2.925 -2.506 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.637 4.194 -3.119 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.191 2.466 -3.012 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.749 3.487 -4.402 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.059 1.750 -4.636 1.00 0.00 H new ATOM 426 N ALA A 31 -4.992 2.556 -5.220 1.00 0.00 N ATOM 427 CA ALA A 31 -3.585 2.219 -5.034 1.00 0.00 C ATOM 428 C ALA A 31 -3.222 2.172 -3.554 1.00 0.00 C ATOM 429 O ALA A 31 -3.211 3.199 -2.874 1.00 0.00 O ATOM 430 CB ALA A 31 -2.702 3.220 -5.765 1.00 0.00 C ATOM 0 H ALA A 31 -5.154 3.433 -5.715 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.416 1.227 -5.453 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.655 2.957 -5.618 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.935 3.201 -6.830 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.883 4.220 -5.372 1.00 0.00 H new ATOM 436 N LEU A 32 -2.926 0.975 -3.061 1.00 0.00 N ATOM 437 CA LEU A 32 -2.564 0.793 -1.659 1.00 0.00 C ATOM 438 C LEU A 32 -1.093 0.413 -1.522 1.00 0.00 C ATOM 439 O LEU A 32 -0.442 0.040 -2.499 1.00 0.00 O ATOM 440 CB LEU A 32 -3.442 -0.283 -1.019 1.00 0.00 C ATOM 441 CG LEU A 32 -4.739 0.205 -0.374 1.00 0.00 C ATOM 442 CD1 LEU A 32 -4.442 0.999 0.888 1.00 0.00 C ATOM 443 CD2 LEU A 32 -5.541 1.045 -1.358 1.00 0.00 C ATOM 0 H LEU A 32 -2.929 0.116 -3.611 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.726 1.739 -1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.694 -1.019 -1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.854 -0.799 -0.260 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.335 -0.665 -0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.377 1.338 1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.910 0.367 1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.825 1.862 0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.461 1.384 -0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.951 1.909 -1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.786 0.444 -2.234 1.00 0.00 H new ATOM 455 N THR A 33 -0.573 0.507 -0.302 1.00 0.00 N ATOM 456 CA THR A 33 0.821 0.173 -0.037 1.00 0.00 C ATOM 457 C THR A 33 0.935 -0.859 1.080 1.00 0.00 C ATOM 458 O THR A 33 0.573 -0.591 2.225 1.00 0.00 O ATOM 459 CB THR A 33 1.635 1.422 0.348 1.00 0.00 C ATOM 460 OG1 THR A 33 1.110 2.574 -0.322 1.00 0.00 O ATOM 461 CG2 THR A 33 3.102 1.244 -0.013 1.00 0.00 C ATOM 0 H THR A 33 -1.097 0.812 0.518 1.00 0.00 H new ATOM 0 HA THR A 33 1.227 -0.245 -0.958 1.00 0.00 H new ATOM 0 HB THR A 33 1.557 1.562 1.426 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.281 2.858 0.117 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.657 2.139 0.268 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.506 0.384 0.520 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.195 1.082 -1.087 1.00 0.00 H new ATOM 469 N VAL A 34 1.441 -2.039 0.739 1.00 0.00 N ATOM 470 CA VAL A 34 1.606 -3.111 1.714 1.00 0.00 C ATOM 471 C VAL A 34 3.052 -3.591 1.765 1.00 0.00 C ATOM 472 O VAL A 34 3.630 -3.968 0.745 1.00 0.00 O ATOM 473 CB VAL A 34 0.691 -4.307 1.392 1.00 0.00 C ATOM 474 CG1 VAL A 34 1.013 -5.485 2.299 1.00 0.00 C ATOM 475 CG2 VAL A 34 -0.771 -3.909 1.521 1.00 0.00 C ATOM 0 H VAL A 34 1.744 -2.278 -0.205 1.00 0.00 H new ATOM 0 HA VAL A 34 1.329 -2.701 2.685 1.00 0.00 H new ATOM 0 HB VAL A 34 0.871 -4.613 0.361 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.356 -6.321 2.057 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.051 -5.784 2.152 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.863 -5.195 3.339 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.403 -4.766 1.290 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.969 -3.576 2.540 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.990 -3.099 0.826 1.00 0.00 H new ATOM 485 N THR A 35 3.633 -3.574 2.961 1.00 0.00 N ATOM 486 CA THR A 35 5.013 -4.007 3.147 1.00 0.00 C ATOM 487 C THR A 35 5.124 -5.526 3.094 1.00 0.00 C ATOM 488 O THR A 35 5.801 -6.080 2.228 1.00 0.00 O ATOM 489 CB THR A 35 5.582 -3.507 4.487 1.00 0.00 C ATOM 490 OG1 THR A 35 5.823 -2.097 4.422 1.00 0.00 O ATOM 491 CG2 THR A 35 6.875 -4.232 4.829 1.00 0.00 C ATOM 0 H THR A 35 3.169 -3.265 3.815 1.00 0.00 H new ATOM 0 HA THR A 35 5.593 -3.575 2.331 1.00 0.00 H new ATOM 0 HB THR A 35 4.850 -3.714 5.267 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.183 -1.787 5.279 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.259 -3.862 5.780 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.683 -5.302 4.907 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.611 -4.052 4.046 1.00 0.00 H new ATOM 499 N GLY A 36 4.454 -6.197 4.027 1.00 0.00 N ATOM 500 CA GLY A 36 4.492 -7.647 4.069 1.00 0.00 C ATOM 501 C GLY A 36 5.843 -8.180 4.499 1.00 0.00 C ATOM 502 O GLY A 36 6.882 -7.693 4.053 1.00 0.00 O ATOM 0 H GLY A 36 3.886 -5.762 4.754 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.727 -8.007 4.757 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.246 -8.042 3.083 1.00 0.00 H new ATOM 506 N VAL A 37 5.832 -9.183 5.371 1.00 0.00 N ATOM 507 CA VAL A 37 7.066 -9.783 5.865 1.00 0.00 C ATOM 508 C VAL A 37 6.974 -11.304 5.869 1.00 0.00 C ATOM 509 O VAL A 37 6.026 -11.878 6.406 1.00 0.00 O ATOM 510 CB VAL A 37 7.398 -9.295 7.287 1.00 0.00 C ATOM 511 CG1 VAL A 37 8.335 -10.271 7.981 1.00 0.00 C ATOM 512 CG2 VAL A 37 8.005 -7.901 7.244 1.00 0.00 C ATOM 0 H VAL A 37 4.981 -9.598 5.750 1.00 0.00 H new ATOM 0 HA VAL A 37 7.862 -9.472 5.188 1.00 0.00 H new ATOM 0 HB VAL A 37 6.472 -9.246 7.861 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.559 -9.910 8.985 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.859 -11.249 8.045 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.260 -10.355 7.411 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.233 -7.572 8.258 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.921 -7.921 6.654 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.296 -7.209 6.789 1.00 0.00 H new ATOM 522 N ALA A 38 7.965 -11.954 5.266 1.00 0.00 N ATOM 523 CA ALA A 38 7.997 -13.409 5.203 1.00 0.00 C ATOM 524 C ALA A 38 9.432 -13.927 5.212 1.00 0.00 C ATOM 525 O ALA A 38 10.353 -13.236 4.779 1.00 0.00 O ATOM 526 CB ALA A 38 7.265 -13.900 3.963 1.00 0.00 C ATOM 0 H ALA A 38 8.756 -11.495 4.814 1.00 0.00 H new ATOM 0 HA ALA A 38 7.492 -13.798 6.087 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.297 -14.989 3.929 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.227 -13.568 3.998 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.746 -13.495 3.072 1.00 0.00 H new ATOM 532 N GLN A 39 9.612 -15.146 5.711 1.00 0.00 N ATOM 533 CA GLN A 39 10.935 -15.755 5.778 1.00 0.00 C ATOM 534 C GLN A 39 11.062 -16.895 4.773 1.00 0.00 C ATOM 535 O GLN A 39 10.098 -17.615 4.511 1.00 0.00 O ATOM 536 CB GLN A 39 11.211 -16.273 7.191 1.00 0.00 C ATOM 537 CG GLN A 39 12.690 -16.363 7.528 1.00 0.00 C ATOM 538 CD GLN A 39 13.277 -15.028 7.945 1.00 0.00 C ATOM 539 OE1 GLN A 39 12.688 -13.975 7.699 1.00 0.00 O ATOM 540 NE2 GLN A 39 14.441 -15.066 8.580 1.00 0.00 N ATOM 0 H GLN A 39 8.859 -15.730 6.074 1.00 0.00 H new ATOM 0 HA GLN A 39 11.671 -14.991 5.528 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.722 -15.617 7.911 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.761 -17.260 7.302 1.00 0.00 H new ATOM 0 HG2 GLN A 39 12.832 -17.085 8.332 1.00 0.00 H new ATOM 0 HG3 GLN A 39 13.234 -16.740 6.662 1.00 0.00 H new ATOM 0 HE21 GLN A 39 14.893 -15.962 8.763 1.00 0.00 H new ATOM 0 HE22 GLN A 39 14.884 -14.199 8.886 1.00 0.00 H new ATOM 549 N VAL A 40 12.256 -17.054 4.212 1.00 0.00 N ATOM 550 CA VAL A 40 12.509 -18.106 3.236 1.00 0.00 C ATOM 551 C VAL A 40 13.939 -18.624 3.343 1.00 0.00 C ATOM 552 O VAL A 40 14.816 -17.949 3.882 1.00 0.00 O ATOM 553 CB VAL A 40 12.261 -17.611 1.799 1.00 0.00 C ATOM 554 CG1 VAL A 40 13.299 -16.572 1.404 1.00 0.00 C ATOM 555 CG2 VAL A 40 12.266 -18.779 0.824 1.00 0.00 C ATOM 0 H VAL A 40 13.064 -16.467 4.417 1.00 0.00 H new ATOM 0 HA VAL A 40 11.814 -18.916 3.458 1.00 0.00 H new ATOM 0 HB VAL A 40 11.279 -17.140 1.761 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.107 -16.235 0.386 1.00 0.00 H new ATOM 0 HG12 VAL A 40 13.241 -15.723 2.085 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.294 -17.013 1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.089 -18.410 -0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.233 -19.281 0.863 1.00 0.00 H new ATOM 0 HG23 VAL A 40 11.480 -19.483 1.096 1.00 0.00 H new ATOM 565 N LYS A 41 14.168 -19.826 2.825 1.00 0.00 N ATOM 566 CA LYS A 41 15.492 -20.435 2.860 1.00 0.00 C ATOM 567 C LYS A 41 15.638 -21.483 1.762 1.00 0.00 C ATOM 568 O LYS A 41 14.658 -22.104 1.349 1.00 0.00 O ATOM 569 CB LYS A 41 15.745 -21.075 4.227 1.00 0.00 C ATOM 570 CG LYS A 41 14.774 -22.191 4.565 1.00 0.00 C ATOM 571 CD LYS A 41 15.420 -23.243 5.451 1.00 0.00 C ATOM 572 CE LYS A 41 14.811 -24.618 5.220 1.00 0.00 C ATOM 573 NZ LYS A 41 15.569 -25.687 5.927 1.00 0.00 N ATOM 0 H LYS A 41 13.453 -20.398 2.376 1.00 0.00 H new ATOM 0 HA LYS A 41 16.230 -19.651 2.690 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.761 -21.469 4.252 1.00 0.00 H new ATOM 0 HB3 LYS A 41 15.683 -20.305 4.996 1.00 0.00 H new ATOM 0 HG2 LYS A 41 13.902 -21.775 5.069 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.419 -22.657 3.646 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.491 -23.280 5.251 1.00 0.00 H new ATOM 0 HD3 LYS A 41 15.300 -22.962 6.497 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.776 -24.619 5.563 1.00 0.00 H new ATOM 0 HE3 LYS A 41 14.793 -24.832 4.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 15.122 -26.608 5.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 16.550 -25.703 5.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.565 -25.497 6.950 1.00 0.00 H new ATOM 587 N ILE A 42 16.866 -21.676 1.293 1.00 0.00 N ATOM 588 CA ILE A 42 17.140 -22.651 0.244 1.00 0.00 C ATOM 589 C ILE A 42 17.072 -24.074 0.787 1.00 0.00 C ATOM 590 O ILE A 42 17.834 -24.446 1.679 1.00 0.00 O ATOM 591 CB ILE A 42 18.523 -22.420 -0.391 1.00 0.00 C ATOM 592 CG1 ILE A 42 18.446 -21.317 -1.448 1.00 0.00 C ATOM 593 CG2 ILE A 42 19.047 -23.711 -1.003 1.00 0.00 C ATOM 594 CD1 ILE A 42 18.737 -19.936 -0.902 1.00 0.00 C ATOM 0 H ILE A 42 17.688 -21.170 1.623 1.00 0.00 H new ATOM 0 HA ILE A 42 16.373 -22.519 -0.519 1.00 0.00 H new ATOM 0 HB ILE A 42 19.215 -22.102 0.389 1.00 0.00 H new ATOM 0 HG12 ILE A 42 19.154 -21.540 -2.246 1.00 0.00 H new ATOM 0 HG13 ILE A 42 17.451 -21.321 -1.894 1.00 0.00 H new ATOM 0 HG21 ILE A 42 20.026 -23.532 -1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 42 19.135 -24.472 -0.227 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.356 -24.056 -1.772 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.665 -19.204 -1.706 1.00 0.00 H new ATOM 0 HD12 ILE A 42 18.014 -19.693 -0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 42 19.743 -19.915 -0.482 1.00 0.00 H new ATOM 606 N MET A 43 16.156 -24.866 0.239 1.00 0.00 N ATOM 607 CA MET A 43 15.992 -26.252 0.665 1.00 0.00 C ATOM 608 C MET A 43 17.278 -27.043 0.451 1.00 0.00 C ATOM 609 O MET A 43 18.128 -26.660 -0.352 1.00 0.00 O ATOM 610 CB MET A 43 14.840 -26.909 -0.098 1.00 0.00 C ATOM 611 CG MET A 43 13.468 -26.412 0.326 1.00 0.00 C ATOM 612 SD MET A 43 12.128 -27.397 -0.370 1.00 0.00 S ATOM 613 CE MET A 43 11.585 -26.334 -1.706 1.00 0.00 C ATOM 0 H MET A 43 15.517 -24.573 -0.500 1.00 0.00 H new ATOM 0 HA MET A 43 15.760 -26.254 1.730 1.00 0.00 H new ATOM 0 HB2 MET A 43 14.970 -26.725 -1.165 1.00 0.00 H new ATOM 0 HB3 MET A 43 14.887 -27.988 0.048 1.00 0.00 H new ATOM 0 HG2 MET A 43 13.400 -26.429 1.414 1.00 0.00 H new ATOM 0 HG3 MET A 43 13.350 -25.374 0.016 1.00 0.00 H new ATOM 0 HE1 MET A 43 10.603 -25.924 -1.469 1.00 0.00 H new ATOM 0 HE2 MET A 43 12.297 -25.519 -1.835 1.00 0.00 H new ATOM 0 HE3 MET A 43 11.523 -26.912 -2.628 1.00 0.00 H new ATOM 737 N VAL A 51 18.004 -28.722 -9.955 1.00 0.00 N ATOM 738 CA VAL A 51 16.940 -27.793 -10.320 1.00 0.00 C ATOM 739 C VAL A 51 17.237 -26.388 -9.808 1.00 0.00 C ATOM 740 O VAL A 51 17.124 -25.411 -10.547 1.00 0.00 O ATOM 741 CB VAL A 51 15.579 -28.253 -9.764 1.00 0.00 C ATOM 742 CG1 VAL A 51 15.639 -28.397 -8.252 1.00 0.00 C ATOM 743 CG2 VAL A 51 14.482 -27.281 -10.172 1.00 0.00 C ATOM 0 HA VAL A 51 16.893 -27.777 -11.409 1.00 0.00 H new ATOM 0 HB VAL A 51 15.345 -29.230 -10.188 1.00 0.00 H new ATOM 0 HG11 VAL A 51 14.668 -28.723 -7.879 1.00 0.00 H new ATOM 0 HG12 VAL A 51 16.396 -29.135 -7.987 1.00 0.00 H new ATOM 0 HG13 VAL A 51 15.896 -27.437 -7.805 1.00 0.00 H new ATOM 0 HG21 VAL A 51 13.527 -27.621 -9.771 1.00 0.00 H new ATOM 0 HG22 VAL A 51 14.709 -26.290 -9.778 1.00 0.00 H new ATOM 0 HG23 VAL A 51 14.423 -27.235 -11.259 1.00 0.00 H new ATOM 753 N ALA A 52 17.617 -26.295 -8.537 1.00 0.00 N ATOM 754 CA ALA A 52 17.934 -25.010 -7.927 1.00 0.00 C ATOM 755 C ALA A 52 19.441 -24.816 -7.806 1.00 0.00 C ATOM 756 O ALA A 52 19.933 -23.687 -7.818 1.00 0.00 O ATOM 757 CB ALA A 52 17.273 -24.899 -6.561 1.00 0.00 C ATOM 0 H ALA A 52 17.713 -27.094 -7.911 1.00 0.00 H new ATOM 0 HA ALA A 52 17.545 -24.223 -8.572 1.00 0.00 H new ATOM 0 HB1 ALA A 52 17.518 -23.935 -6.116 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.192 -24.984 -6.672 1.00 0.00 H new ATOM 0 HB3 ALA A 52 17.635 -25.699 -5.915 1.00 0.00 H new ATOM 763 N CYS A 53 20.168 -25.921 -7.689 1.00 0.00 N ATOM 764 CA CYS A 53 21.620 -25.872 -7.563 1.00 0.00 C ATOM 765 C CYS A 53 22.242 -25.131 -8.742 1.00 0.00 C ATOM 766 O CYS A 53 22.808 -24.050 -8.579 1.00 0.00 O ATOM 767 CB CYS A 53 22.193 -27.287 -7.475 1.00 0.00 C ATOM 768 SG CYS A 53 23.721 -27.406 -6.515 1.00 0.00 S ATOM 0 H CYS A 53 19.776 -26.862 -7.679 1.00 0.00 H new ATOM 0 HA CYS A 53 21.863 -25.332 -6.648 1.00 0.00 H new ATOM 0 HB2 CYS A 53 21.445 -27.943 -7.030 1.00 0.00 H new ATOM 0 HB3 CYS A 53 22.381 -27.655 -8.484 1.00 0.00 H new ATOM 0 HG CYS A 53 24.127 -28.641 -6.496 1.00 0.00 H new ATOM 774 N GLU A 54 22.135 -25.721 -9.929 1.00 0.00 N ATOM 775 CA GLU A 54 22.691 -25.117 -11.135 1.00 0.00 C ATOM 776 C GLU A 54 21.965 -23.819 -11.476 1.00 0.00 C ATOM 777 O GLU A 54 22.569 -22.876 -11.989 1.00 0.00 O ATOM 778 CB GLU A 54 22.595 -26.091 -12.310 1.00 0.00 C ATOM 779 CG GLU A 54 23.386 -27.373 -12.105 1.00 0.00 C ATOM 780 CD GLU A 54 23.374 -28.268 -13.329 1.00 0.00 C ATOM 781 OE1 GLU A 54 23.157 -27.746 -14.443 1.00 0.00 O ATOM 782 OE2 GLU A 54 23.580 -29.489 -13.173 1.00 0.00 O ATOM 0 H GLU A 54 21.669 -26.615 -10.081 1.00 0.00 H new ATOM 0 HA GLU A 54 23.740 -24.889 -10.947 1.00 0.00 H new ATOM 0 HB2 GLU A 54 21.548 -26.343 -12.477 1.00 0.00 H new ATOM 0 HB3 GLU A 54 22.951 -25.595 -13.213 1.00 0.00 H new ATOM 0 HG2 GLU A 54 24.416 -27.123 -11.852 1.00 0.00 H new ATOM 0 HG3 GLU A 54 22.973 -27.919 -11.257 1.00 0.00 H new ATOM 789 N GLN A 55 20.669 -23.778 -11.187 1.00 0.00 N ATOM 790 CA GLN A 55 19.861 -22.596 -11.465 1.00 0.00 C ATOM 791 C GLN A 55 20.440 -21.367 -10.772 1.00 0.00 C ATOM 792 O GLN A 55 20.382 -20.258 -11.303 1.00 0.00 O ATOM 793 CB GLN A 55 18.419 -22.820 -11.010 1.00 0.00 C ATOM 794 CG GLN A 55 17.539 -21.589 -11.148 1.00 0.00 C ATOM 795 CD GLN A 55 16.063 -21.930 -11.219 1.00 0.00 C ATOM 796 OE1 GLN A 55 15.402 -21.936 -10.068 1.00 0.00 O flip ATOM 797 NE2 GLN A 55 15.524 -22.186 -12.296 1.00 0.00 N flip ATOM 0 H GLN A 55 20.156 -24.549 -10.760 1.00 0.00 H new ATOM 0 HA GLN A 55 19.872 -22.423 -12.541 1.00 0.00 H new ATOM 0 HB2 GLN A 55 17.985 -23.633 -11.592 1.00 0.00 H new ATOM 0 HB3 GLN A 55 18.421 -23.140 -9.968 1.00 0.00 H new ATOM 0 HG2 GLN A 55 17.714 -20.925 -10.301 1.00 0.00 H new ATOM 0 HG3 GLN A 55 17.825 -21.042 -12.046 1.00 0.00 H new ATOM 0 HE21 GLN A 55 16.071 -22.170 -13.157 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.530 -22.414 -12.327 1.00 0.00 H new ATOM 806 N PHE A 56 20.998 -21.571 -9.583 1.00 0.00 N ATOM 807 CA PHE A 56 21.586 -20.478 -8.817 1.00 0.00 C ATOM 808 C PHE A 56 23.087 -20.379 -9.076 1.00 0.00 C ATOM 809 O PHE A 56 23.604 -19.307 -9.397 1.00 0.00 O ATOM 810 CB PHE A 56 21.328 -20.679 -7.323 1.00 0.00 C ATOM 811 CG PHE A 56 19.872 -20.792 -6.976 1.00 0.00 C ATOM 812 CD1 PHE A 56 18.925 -20.032 -7.645 1.00 0.00 C ATOM 813 CD2 PHE A 56 19.447 -21.657 -5.981 1.00 0.00 C ATOM 814 CE1 PHE A 56 17.583 -20.134 -7.329 1.00 0.00 C ATOM 815 CE2 PHE A 56 18.107 -21.765 -5.660 1.00 0.00 C ATOM 816 CZ PHE A 56 17.174 -21.001 -6.335 1.00 0.00 C ATOM 0 H PHE A 56 21.055 -22.483 -9.129 1.00 0.00 H new ATOM 0 HA PHE A 56 21.117 -19.548 -9.138 1.00 0.00 H new ATOM 0 HB2 PHE A 56 21.843 -21.581 -6.992 1.00 0.00 H new ATOM 0 HB3 PHE A 56 21.761 -19.844 -6.772 1.00 0.00 H new ATOM 0 HD1 PHE A 56 19.240 -19.352 -8.423 1.00 0.00 H new ATOM 0 HD2 PHE A 56 20.172 -22.255 -5.449 1.00 0.00 H new ATOM 0 HE1 PHE A 56 16.856 -19.537 -7.859 1.00 0.00 H new ATOM 0 HE2 PHE A 56 17.790 -22.445 -4.883 1.00 0.00 H new ATOM 0 HZ PHE A 56 16.126 -21.082 -6.085 1.00 0.00 H new ATOM 904 N GLN A 62 23.308 -12.682 -4.825 1.00 0.00 N ATOM 905 CA GLN A 62 22.374 -11.562 -4.839 1.00 0.00 C ATOM 906 C GLN A 62 21.122 -11.908 -5.639 1.00 0.00 C ATOM 907 O GLN A 62 20.001 -11.681 -5.185 1.00 0.00 O ATOM 908 CB GLN A 62 23.042 -10.319 -5.429 1.00 0.00 C ATOM 909 CG GLN A 62 23.754 -9.463 -4.394 1.00 0.00 C ATOM 910 CD GLN A 62 24.844 -8.601 -5.000 1.00 0.00 C ATOM 911 OE1 GLN A 62 24.634 -7.422 -5.285 1.00 0.00 O ATOM 912 NE2 GLN A 62 26.019 -9.186 -5.200 1.00 0.00 N ATOM 0 HA GLN A 62 22.081 -11.354 -3.810 1.00 0.00 H new ATOM 0 HB2 GLN A 62 23.760 -10.628 -6.189 1.00 0.00 H new ATOM 0 HB3 GLN A 62 22.287 -9.714 -5.931 1.00 0.00 H new ATOM 0 HG2 GLN A 62 23.026 -8.824 -3.894 1.00 0.00 H new ATOM 0 HG3 GLN A 62 24.189 -10.109 -3.631 1.00 0.00 H new ATOM 0 HE21 GLN A 62 26.150 -10.166 -4.949 1.00 0.00 H new ATOM 0 HE22 GLN A 62 26.791 -8.655 -5.604 1.00 0.00 H new ATOM 921 N ASP A 63 21.321 -12.458 -6.832 1.00 0.00 N ATOM 922 CA ASP A 63 20.208 -12.836 -7.695 1.00 0.00 C ATOM 923 C ASP A 63 19.177 -13.655 -6.925 1.00 0.00 C ATOM 924 O ASP A 63 18.012 -13.270 -6.826 1.00 0.00 O ATOM 925 CB ASP A 63 20.716 -13.633 -8.897 1.00 0.00 C ATOM 926 CG ASP A 63 21.349 -12.748 -9.953 1.00 0.00 C ATOM 927 OD1 ASP A 63 22.524 -12.361 -9.776 1.00 0.00 O ATOM 928 OD2 ASP A 63 20.672 -12.441 -10.955 1.00 0.00 O ATOM 0 H ASP A 63 22.243 -12.652 -7.223 1.00 0.00 H new ATOM 0 HA ASP A 63 19.729 -11.923 -8.050 1.00 0.00 H new ATOM 0 HB2 ASP A 63 21.445 -14.369 -8.559 1.00 0.00 H new ATOM 0 HB3 ASP A 63 19.887 -14.186 -9.339 1.00 0.00 H new ATOM 933 N ILE A 64 19.613 -14.786 -6.382 1.00 0.00 N ATOM 934 CA ILE A 64 18.729 -15.660 -5.621 1.00 0.00 C ATOM 935 C ILE A 64 17.714 -14.851 -4.821 1.00 0.00 C ATOM 936 O ILE A 64 16.516 -14.881 -5.103 1.00 0.00 O ATOM 937 CB ILE A 64 19.521 -16.564 -4.659 1.00 0.00 C ATOM 938 CG1 ILE A 64 20.222 -17.681 -5.435 1.00 0.00 C ATOM 939 CG2 ILE A 64 18.598 -17.148 -3.600 1.00 0.00 C ATOM 940 CD1 ILE A 64 21.598 -17.299 -5.933 1.00 0.00 C ATOM 0 H ILE A 64 20.574 -15.119 -6.455 1.00 0.00 H new ATOM 0 HA ILE A 64 18.205 -16.285 -6.344 1.00 0.00 H new ATOM 0 HB ILE A 64 20.280 -15.961 -4.160 1.00 0.00 H new ATOM 0 HG12 ILE A 64 20.307 -18.559 -4.795 1.00 0.00 H new ATOM 0 HG13 ILE A 64 19.603 -17.965 -6.286 1.00 0.00 H new ATOM 0 HG21 ILE A 64 19.173 -17.785 -2.928 1.00 0.00 H new ATOM 0 HG22 ILE A 64 18.140 -16.339 -3.031 1.00 0.00 H new ATOM 0 HG23 ILE A 64 17.819 -17.739 -4.082 1.00 0.00 H new ATOM 0 HD11 ILE A 64 22.035 -18.138 -6.474 1.00 0.00 H new ATOM 0 HD12 ILE A 64 21.518 -16.440 -6.599 1.00 0.00 H new ATOM 0 HD13 ILE A 64 22.234 -17.043 -5.085 1.00 0.00 H new ATOM 952 N LYS A 65 18.201 -14.125 -3.820 1.00 0.00 N ATOM 953 CA LYS A 65 17.338 -13.304 -2.978 1.00 0.00 C ATOM 954 C LYS A 65 16.245 -12.636 -3.807 1.00 0.00 C ATOM 955 O LYS A 65 15.063 -12.729 -3.483 1.00 0.00 O ATOM 956 CB LYS A 65 18.163 -12.240 -2.251 1.00 0.00 C ATOM 957 CG LYS A 65 18.993 -12.792 -1.105 1.00 0.00 C ATOM 958 CD LYS A 65 19.486 -11.685 -0.189 1.00 0.00 C ATOM 959 CE LYS A 65 18.468 -11.361 0.893 1.00 0.00 C ATOM 960 NZ LYS A 65 19.114 -10.816 2.119 1.00 0.00 N ATOM 0 H LYS A 65 19.190 -14.088 -3.572 1.00 0.00 H new ATOM 0 HA LYS A 65 16.865 -13.954 -2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 65 18.826 -11.754 -2.967 1.00 0.00 H new ATOM 0 HB3 LYS A 65 17.492 -11.472 -1.866 1.00 0.00 H new ATOM 0 HG2 LYS A 65 18.396 -13.501 -0.531 1.00 0.00 H new ATOM 0 HG3 LYS A 65 19.845 -13.342 -1.504 1.00 0.00 H new ATOM 0 HD2 LYS A 65 20.426 -11.986 0.273 1.00 0.00 H new ATOM 0 HD3 LYS A 65 19.691 -10.790 -0.776 1.00 0.00 H new ATOM 0 HE2 LYS A 65 17.749 -10.637 0.510 1.00 0.00 H new ATOM 0 HE3 LYS A 65 17.909 -12.262 1.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 18.386 -10.608 2.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 19.782 -11.516 2.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 19.626 -9.942 1.882 1.00 0.00 H new ATOM 974 N ASN A 66 16.650 -11.964 -4.880 1.00 0.00 N ATOM 975 CA ASN A 66 15.705 -11.281 -5.756 1.00 0.00 C ATOM 976 C ASN A 66 14.755 -12.278 -6.412 1.00 0.00 C ATOM 977 O ASN A 66 13.544 -12.232 -6.197 1.00 0.00 O ATOM 978 CB ASN A 66 16.454 -10.490 -6.831 1.00 0.00 C ATOM 979 CG ASN A 66 17.136 -9.257 -6.271 1.00 0.00 C ATOM 980 OD1 ASN A 66 16.591 -8.154 -6.324 1.00 0.00 O ATOM 981 ND2 ASN A 66 18.335 -9.438 -5.730 1.00 0.00 N ATOM 0 H ASN A 66 17.626 -11.878 -5.164 1.00 0.00 H new ATOM 0 HA ASN A 66 15.118 -10.591 -5.150 1.00 0.00 H new ATOM 0 HB2 ASN A 66 17.199 -11.133 -7.299 1.00 0.00 H new ATOM 0 HB3 ASN A 66 15.755 -10.192 -7.612 1.00 0.00 H new ATOM 0 HD21 ASN A 66 18.842 -8.645 -5.337 1.00 0.00 H new ATOM 0 HD22 ASN A 66 18.749 -10.370 -5.708 1.00 0.00 H new ATOM 988 N VAL A 67 15.313 -13.179 -7.215 1.00 0.00 N ATOM 989 CA VAL A 67 14.515 -14.189 -7.901 1.00 0.00 C ATOM 990 C VAL A 67 13.375 -14.682 -7.019 1.00 0.00 C ATOM 991 O VAL A 67 12.218 -14.714 -7.440 1.00 0.00 O ATOM 992 CB VAL A 67 15.379 -15.391 -8.327 1.00 0.00 C ATOM 993 CG1 VAL A 67 14.507 -16.496 -8.905 1.00 0.00 C ATOM 994 CG2 VAL A 67 16.439 -14.959 -9.327 1.00 0.00 C ATOM 0 H VAL A 67 16.314 -13.230 -7.406 1.00 0.00 H new ATOM 0 HA VAL A 67 14.101 -13.715 -8.791 1.00 0.00 H new ATOM 0 HB VAL A 67 15.885 -15.783 -7.445 1.00 0.00 H new ATOM 0 HG11 VAL A 67 15.134 -17.337 -9.201 1.00 0.00 H new ATOM 0 HG12 VAL A 67 13.790 -16.825 -8.153 1.00 0.00 H new ATOM 0 HG13 VAL A 67 13.972 -16.119 -9.776 1.00 0.00 H new ATOM 0 HG21 VAL A 67 17.039 -15.822 -9.616 1.00 0.00 H new ATOM 0 HG22 VAL A 67 15.957 -14.540 -10.210 1.00 0.00 H new ATOM 0 HG23 VAL A 67 17.082 -14.205 -8.873 1.00 0.00 H new ATOM 1004 N VAL A 68 13.707 -15.067 -5.790 1.00 0.00 N ATOM 1005 CA VAL A 68 12.711 -15.558 -4.847 1.00 0.00 C ATOM 1006 C VAL A 68 11.735 -14.455 -4.455 1.00 0.00 C ATOM 1007 O VAL A 68 10.528 -14.571 -4.676 1.00 0.00 O ATOM 1008 CB VAL A 68 13.372 -16.119 -3.573 1.00 0.00 C ATOM 1009 CG1 VAL A 68 12.332 -16.767 -2.673 1.00 0.00 C ATOM 1010 CG2 VAL A 68 14.468 -17.110 -3.935 1.00 0.00 C ATOM 0 H VAL A 68 14.659 -15.048 -5.425 1.00 0.00 H new ATOM 0 HA VAL A 68 12.168 -16.359 -5.349 1.00 0.00 H new ATOM 0 HB VAL A 68 13.826 -15.293 -3.026 1.00 0.00 H new ATOM 0 HG11 VAL A 68 12.817 -17.157 -1.779 1.00 0.00 H new ATOM 0 HG12 VAL A 68 11.586 -16.026 -2.387 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.846 -17.583 -3.208 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.924 -17.497 -3.024 1.00 0.00 H new ATOM 0 HG22 VAL A 68 14.039 -17.935 -4.504 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.227 -16.610 -4.537 1.00 0.00 H new ATOM 1020 N LEU A 69 12.263 -13.383 -3.874 1.00 0.00 N ATOM 1021 CA LEU A 69 11.438 -12.257 -3.451 1.00 0.00 C ATOM 1022 C LEU A 69 10.441 -11.873 -4.540 1.00 0.00 C ATOM 1023 O LEU A 69 9.327 -11.437 -4.250 1.00 0.00 O ATOM 1024 CB LEU A 69 12.320 -11.056 -3.104 1.00 0.00 C ATOM 1025 CG LEU A 69 11.591 -9.728 -2.890 1.00 0.00 C ATOM 1026 CD1 LEU A 69 11.019 -9.653 -1.483 1.00 0.00 C ATOM 1027 CD2 LEU A 69 12.529 -8.558 -3.151 1.00 0.00 C ATOM 0 H LEU A 69 13.259 -13.270 -3.685 1.00 0.00 H new ATOM 0 HA LEU A 69 10.881 -12.559 -2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.879 -11.291 -2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.049 -10.923 -3.903 1.00 0.00 H new ATOM 0 HG LEU A 69 10.764 -9.670 -3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.504 -8.701 -1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.314 -10.471 -1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.828 -9.733 -0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.994 -7.621 -2.994 1.00 0.00 H new ATOM 0 HD22 LEU A 69 13.376 -8.611 -2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.889 -8.603 -4.179 1.00 0.00 H new ATOM 1039 N GLN A 70 10.850 -12.040 -5.794 1.00 0.00 N ATOM 1040 CA GLN A 70 9.992 -11.712 -6.927 1.00 0.00 C ATOM 1041 C GLN A 70 8.765 -12.618 -6.960 1.00 0.00 C ATOM 1042 O GLN A 70 7.655 -12.168 -7.248 1.00 0.00 O ATOM 1043 CB GLN A 70 10.771 -11.838 -8.237 1.00 0.00 C ATOM 1044 CG GLN A 70 11.754 -10.704 -8.472 1.00 0.00 C ATOM 1045 CD GLN A 70 11.075 -9.351 -8.559 1.00 0.00 C ATOM 1046 OE1 GLN A 70 9.849 -9.256 -8.510 1.00 0.00 O ATOM 1047 NE2 GLN A 70 11.872 -8.297 -8.686 1.00 0.00 N ATOM 0 H GLN A 70 11.769 -12.400 -6.051 1.00 0.00 H new ATOM 0 HA GLN A 70 9.657 -10.681 -6.811 1.00 0.00 H new ATOM 0 HB2 GLN A 70 11.313 -12.784 -8.238 1.00 0.00 H new ATOM 0 HB3 GLN A 70 10.066 -11.874 -9.067 1.00 0.00 H new ATOM 0 HG2 GLN A 70 12.485 -10.688 -7.663 1.00 0.00 H new ATOM 0 HG3 GLN A 70 12.304 -10.890 -9.395 1.00 0.00 H new ATOM 0 HE21 GLN A 70 12.883 -8.424 -8.722 1.00 0.00 H new ATOM 0 HE22 GLN A 70 11.473 -7.360 -8.747 1.00 0.00 H new ATOM 1056 N THR A 71 8.972 -13.897 -6.665 1.00 0.00 N ATOM 1057 CA THR A 71 7.884 -14.867 -6.663 1.00 0.00 C ATOM 1058 C THR A 71 6.785 -14.458 -5.689 1.00 0.00 C ATOM 1059 O THR A 71 5.614 -14.365 -6.062 1.00 0.00 O ATOM 1060 CB THR A 71 8.386 -16.275 -6.290 1.00 0.00 C ATOM 1061 OG1 THR A 71 9.535 -16.609 -7.079 1.00 0.00 O ATOM 1062 CG2 THR A 71 7.297 -17.313 -6.507 1.00 0.00 C ATOM 0 H THR A 71 9.884 -14.286 -6.424 1.00 0.00 H new ATOM 0 HA THR A 71 7.480 -14.890 -7.675 1.00 0.00 H new ATOM 0 HB THR A 71 8.658 -16.273 -5.234 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.348 -17.414 -7.605 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.675 -18.299 -6.237 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.435 -17.072 -5.885 1.00 0.00 H new ATOM 0 HG23 THR A 71 6.999 -17.314 -7.555 1.00 0.00 H new ATOM 1070 N LEU A 72 7.168 -14.213 -4.441 1.00 0.00 N ATOM 1071 CA LEU A 72 6.214 -13.812 -3.413 1.00 0.00 C ATOM 1072 C LEU A 72 5.644 -12.428 -3.708 1.00 0.00 C ATOM 1073 O LEU A 72 4.451 -12.188 -3.532 1.00 0.00 O ATOM 1074 CB LEU A 72 6.884 -13.818 -2.038 1.00 0.00 C ATOM 1075 CG LEU A 72 7.498 -15.147 -1.595 1.00 0.00 C ATOM 1076 CD1 LEU A 72 8.401 -14.943 -0.390 1.00 0.00 C ATOM 1077 CD2 LEU A 72 6.406 -16.160 -1.280 1.00 0.00 C ATOM 0 H LEU A 72 8.132 -14.285 -4.116 1.00 0.00 H new ATOM 0 HA LEU A 72 5.394 -14.530 -3.414 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.667 -13.060 -2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.146 -13.517 -1.295 1.00 0.00 H new ATOM 0 HG LEU A 72 8.103 -15.536 -2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.828 -15.900 -0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.203 -14.252 -0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.820 -14.530 0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.861 -17.100 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.775 -15.777 -0.478 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.799 -16.330 -2.170 1.00 0.00 H new ATOM 1089 N GLU A 73 6.507 -11.523 -4.160 1.00 0.00 N ATOM 1090 CA GLU A 73 6.088 -10.163 -4.480 1.00 0.00 C ATOM 1091 C GLU A 73 5.039 -10.165 -5.589 1.00 0.00 C ATOM 1092 O GLU A 73 4.035 -9.459 -5.509 1.00 0.00 O ATOM 1093 CB GLU A 73 7.294 -9.322 -4.904 1.00 0.00 C ATOM 1094 CG GLU A 73 7.981 -8.618 -3.746 1.00 0.00 C ATOM 1095 CD GLU A 73 8.908 -7.509 -4.206 1.00 0.00 C ATOM 1096 OE1 GLU A 73 9.854 -7.804 -4.967 1.00 0.00 O ATOM 1097 OE2 GLU A 73 8.688 -6.347 -3.805 1.00 0.00 O ATOM 0 H GLU A 73 7.499 -11.707 -4.313 1.00 0.00 H new ATOM 0 HA GLU A 73 5.645 -9.725 -3.586 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.016 -9.965 -5.407 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.970 -8.577 -5.631 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.226 -8.202 -3.079 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.550 -9.347 -3.169 1.00 0.00 H new ATOM 1104 N GLY A 74 5.282 -10.963 -6.625 1.00 0.00 N ATOM 1105 CA GLY A 74 4.351 -11.041 -7.735 1.00 0.00 C ATOM 1106 C GLY A 74 2.983 -11.537 -7.310 1.00 0.00 C ATOM 1107 O GLY A 74 1.959 -10.999 -7.736 1.00 0.00 O ATOM 0 H GLY A 74 6.107 -11.556 -6.715 1.00 0.00 H new ATOM 0 HA2 GLY A 74 4.251 -10.056 -8.192 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.755 -11.707 -8.498 1.00 0.00 H new ATOM 1111 N HIS A 75 2.962 -12.567 -6.470 1.00 0.00 N ATOM 1112 CA HIS A 75 1.708 -13.135 -5.989 1.00 0.00 C ATOM 1113 C HIS A 75 0.953 -12.132 -5.123 1.00 0.00 C ATOM 1114 O HIS A 75 -0.262 -11.975 -5.251 1.00 0.00 O ATOM 1115 CB HIS A 75 1.976 -14.414 -5.194 1.00 0.00 C ATOM 1116 CG HIS A 75 2.538 -15.528 -6.022 1.00 0.00 C ATOM 1117 ND1 HIS A 75 3.707 -16.203 -5.922 1.00 0.00 N flip ATOM 1118 CD2 HIS A 75 1.878 -16.066 -7.106 1.00 0.00 C flip ATOM 1119 CE1 HIS A 75 3.731 -17.129 -6.935 1.00 0.00 C flip ATOM 1120 NE2 HIS A 75 2.616 -17.026 -7.635 1.00 0.00 N flip ATOM 0 H HIS A 75 3.799 -13.025 -6.109 1.00 0.00 H new ATOM 0 HA HIS A 75 1.091 -13.376 -6.855 1.00 0.00 H new ATOM 0 HB2 HIS A 75 2.669 -14.189 -4.384 1.00 0.00 H new ATOM 0 HB3 HIS A 75 1.046 -14.748 -4.734 1.00 0.00 H new ATOM 0 HD2 HIS A 75 0.910 -15.752 -7.466 1.00 0.00 H new ATOM 0 HE1 HIS A 75 4.531 -17.828 -7.128 1.00 0.00 H new ATOM 0 HE2 HIS A 75 2.367 -17.592 -8.446 1.00 0.00 H new ATOM 1129 N LEU A 76 1.679 -11.456 -4.239 1.00 0.00 N ATOM 1130 CA LEU A 76 1.079 -10.468 -3.350 1.00 0.00 C ATOM 1131 C LEU A 76 0.226 -9.476 -4.135 1.00 0.00 C ATOM 1132 O LEU A 76 -0.939 -9.249 -3.809 1.00 0.00 O ATOM 1133 CB LEU A 76 2.167 -9.722 -2.575 1.00 0.00 C ATOM 1134 CG LEU A 76 1.702 -8.955 -1.337 1.00 0.00 C ATOM 1135 CD1 LEU A 76 1.767 -9.843 -0.104 1.00 0.00 C ATOM 1136 CD2 LEU A 76 2.542 -7.702 -1.138 1.00 0.00 C ATOM 0 H LEU A 76 2.685 -11.575 -4.119 1.00 0.00 H new ATOM 0 HA LEU A 76 0.435 -10.994 -2.645 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.925 -10.442 -2.268 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.651 -9.019 -3.253 1.00 0.00 H new ATOM 0 HG LEU A 76 0.666 -8.653 -1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.432 -9.280 0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.122 -10.710 -0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.793 -10.176 0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.196 -7.169 -0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.588 -7.982 -1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.445 -7.056 -2.011 1.00 0.00 H new ATOM 1148 N ARG A 77 0.815 -8.890 -5.173 1.00 0.00 N ATOM 1149 CA ARG A 77 0.109 -7.923 -6.005 1.00 0.00 C ATOM 1150 C ARG A 77 -1.197 -8.511 -6.532 1.00 0.00 C ATOM 1151 O ARG A 77 -2.250 -7.879 -6.454 1.00 0.00 O ATOM 1152 CB ARG A 77 0.993 -7.484 -7.175 1.00 0.00 C ATOM 1153 CG ARG A 77 0.714 -6.068 -7.650 1.00 0.00 C ATOM 1154 CD ARG A 77 -0.581 -5.991 -8.445 1.00 0.00 C ATOM 1155 NE ARG A 77 -0.711 -4.723 -9.159 1.00 0.00 N ATOM 1156 CZ ARG A 77 -0.061 -4.443 -10.282 1.00 0.00 C ATOM 1157 NH1 ARG A 77 0.758 -5.336 -10.820 1.00 0.00 N ATOM 1158 NH2 ARG A 77 -0.233 -3.268 -10.873 1.00 0.00 N ATOM 0 H ARG A 77 1.778 -9.068 -5.457 1.00 0.00 H new ATOM 0 HA ARG A 77 -0.126 -7.054 -5.390 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.039 -7.559 -6.877 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.848 -8.173 -8.007 1.00 0.00 H new ATOM 0 HG2 ARG A 77 0.655 -5.400 -6.791 1.00 0.00 H new ATOM 0 HG3 ARG A 77 1.542 -5.720 -8.267 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -0.618 -6.814 -9.159 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.428 -6.116 -7.771 1.00 0.00 H new ATOM 0 HE ARG A 77 -1.335 -4.014 -8.774 1.00 0.00 H new ATOM 0 HH11 ARG A 77 0.891 -6.242 -10.371 1.00 0.00 H new ATOM 0 HH12 ARG A 77 1.256 -5.117 -11.683 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -0.865 -2.579 -10.465 1.00 0.00 H new ATOM 0 HH22 ARG A 77 0.267 -3.053 -11.736 1.00 0.00 H new ATOM 1172 N SER A 78 -1.119 -9.723 -7.072 1.00 0.00 N ATOM 1173 CA SER A 78 -2.293 -10.395 -7.616 1.00 0.00 C ATOM 1174 C SER A 78 -3.372 -10.553 -6.550 1.00 0.00 C ATOM 1175 O SER A 78 -4.496 -10.080 -6.714 1.00 0.00 O ATOM 1176 CB SER A 78 -1.908 -11.765 -8.177 1.00 0.00 C ATOM 1177 OG SER A 78 -2.924 -12.272 -9.026 1.00 0.00 O ATOM 0 H SER A 78 -0.255 -10.260 -7.144 1.00 0.00 H new ATOM 0 HA SER A 78 -2.692 -9.780 -8.422 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.973 -11.685 -8.731 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.734 -12.462 -7.357 1.00 0.00 H new ATOM 0 HG SER A 78 -2.653 -13.148 -9.373 1.00 0.00 H new ATOM 1183 N ILE A 79 -3.020 -11.222 -5.457 1.00 0.00 N ATOM 1184 CA ILE A 79 -3.957 -11.443 -4.362 1.00 0.00 C ATOM 1185 C ILE A 79 -4.535 -10.125 -3.859 1.00 0.00 C ATOM 1186 O ILE A 79 -5.672 -10.072 -3.387 1.00 0.00 O ATOM 1187 CB ILE A 79 -3.287 -12.179 -3.188 1.00 0.00 C ATOM 1188 CG1 ILE A 79 -2.699 -13.510 -3.660 1.00 0.00 C ATOM 1189 CG2 ILE A 79 -4.288 -12.404 -2.064 1.00 0.00 C ATOM 1190 CD1 ILE A 79 -3.702 -14.398 -4.362 1.00 0.00 C ATOM 0 H ILE A 79 -2.093 -11.620 -5.306 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.762 -12.063 -4.756 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.475 -11.560 -2.807 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.867 -13.311 -4.335 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.292 -14.043 -2.801 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.800 -12.926 -1.241 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.663 -11.443 -1.713 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.119 -13.005 -2.432 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.216 -15.324 -4.669 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.523 -14.627 -3.683 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.091 -13.884 -5.241 1.00 0.00 H new ATOM 1202 N LEU A 80 -3.746 -9.061 -3.965 1.00 0.00 N ATOM 1203 CA LEU A 80 -4.179 -7.740 -3.522 1.00 0.00 C ATOM 1204 C LEU A 80 -5.197 -7.147 -4.492 1.00 0.00 C ATOM 1205 O LEU A 80 -6.318 -6.817 -4.107 1.00 0.00 O ATOM 1206 CB LEU A 80 -2.977 -6.803 -3.393 1.00 0.00 C ATOM 1207 CG LEU A 80 -3.151 -5.614 -2.449 1.00 0.00 C ATOM 1208 CD1 LEU A 80 -1.799 -5.019 -2.084 1.00 0.00 C ATOM 1209 CD2 LEU A 80 -4.047 -4.558 -3.080 1.00 0.00 C ATOM 0 H LEU A 80 -2.803 -9.087 -4.354 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.653 -7.849 -2.547 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.121 -7.387 -3.055 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.731 -6.421 -4.384 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.628 -5.968 -1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.943 -4.174 -1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.190 -5.776 -1.590 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.294 -4.681 -2.989 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.160 -3.719 -2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.598 -4.208 -4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.026 -4.989 -3.289 1.00 0.00 H new ATOM 1221 N GLY A 81 -4.799 -7.017 -5.754 1.00 0.00 N ATOM 1222 CA GLY A 81 -5.689 -6.467 -6.760 1.00 0.00 C ATOM 1223 C GLY A 81 -7.069 -7.094 -6.719 1.00 0.00 C ATOM 1224 O GLY A 81 -8.065 -6.408 -6.490 1.00 0.00 O ATOM 0 H GLY A 81 -3.876 -7.283 -6.098 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.778 -5.391 -6.613 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.254 -6.619 -7.748 1.00 0.00 H new ATOM 1228 N THR A 82 -7.128 -8.403 -6.944 1.00 0.00 N ATOM 1229 CA THR A 82 -8.396 -9.123 -6.936 1.00 0.00 C ATOM 1230 C THR A 82 -9.167 -8.862 -5.646 1.00 0.00 C ATOM 1231 O THR A 82 -10.375 -9.093 -5.576 1.00 0.00 O ATOM 1232 CB THR A 82 -8.182 -10.640 -7.094 1.00 0.00 C ATOM 1233 OG1 THR A 82 -9.432 -11.327 -6.975 1.00 0.00 O ATOM 1234 CG2 THR A 82 -7.209 -11.162 -6.048 1.00 0.00 C ATOM 0 H THR A 82 -6.313 -8.986 -7.134 1.00 0.00 H new ATOM 0 HA THR A 82 -8.974 -8.755 -7.784 1.00 0.00 H new ATOM 0 HB THR A 82 -7.760 -10.823 -8.082 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.030 -10.819 -6.388 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.074 -12.236 -6.180 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.249 -10.659 -6.161 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.606 -10.966 -5.052 1.00 0.00 H new ATOM 1242 N LEU A 83 -8.463 -8.380 -4.628 1.00 0.00 N ATOM 1243 CA LEU A 83 -9.082 -8.087 -3.341 1.00 0.00 C ATOM 1244 C LEU A 83 -9.418 -6.603 -3.223 1.00 0.00 C ATOM 1245 O LEU A 83 -8.913 -5.779 -3.985 1.00 0.00 O ATOM 1246 CB LEU A 83 -8.154 -8.504 -2.199 1.00 0.00 C ATOM 1247 CG LEU A 83 -8.298 -9.945 -1.709 1.00 0.00 C ATOM 1248 CD1 LEU A 83 -7.154 -10.307 -0.775 1.00 0.00 C ATOM 1249 CD2 LEU A 83 -9.638 -10.141 -1.016 1.00 0.00 C ATOM 0 H LEU A 83 -7.463 -8.184 -4.669 1.00 0.00 H new ATOM 0 HA LEU A 83 -10.009 -8.657 -3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.124 -8.352 -2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.326 -7.836 -1.355 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.258 -10.609 -2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.273 -11.336 -0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.206 -10.206 -1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.162 -9.638 0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.723 -11.172 -0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.707 -9.468 -0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.445 -9.923 -1.716 1.00 0.00 H new ATOM 1261 N THR A 84 -10.272 -6.270 -2.261 1.00 0.00 N ATOM 1262 CA THR A 84 -10.675 -4.885 -2.042 1.00 0.00 C ATOM 1263 C THR A 84 -10.023 -4.315 -0.788 1.00 0.00 C ATOM 1264 O THR A 84 -9.906 -4.999 0.229 1.00 0.00 O ATOM 1265 CB THR A 84 -12.205 -4.759 -1.915 1.00 0.00 C ATOM 1266 OG1 THR A 84 -12.658 -5.451 -0.747 1.00 0.00 O ATOM 1267 CG2 THR A 84 -12.898 -5.321 -3.146 1.00 0.00 C ATOM 0 H THR A 84 -10.698 -6.940 -1.621 1.00 0.00 H new ATOM 0 HA THR A 84 -10.342 -4.317 -2.911 1.00 0.00 H new ATOM 0 HB THR A 84 -12.455 -3.702 -1.829 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.631 -5.365 -0.673 1.00 0.00 H new ATOM 0 HG21 THR A 84 -13.978 -5.221 -3.033 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.573 -4.771 -4.029 1.00 0.00 H new ATOM 0 HG23 THR A 84 -12.641 -6.374 -3.259 1.00 0.00 H new ATOM 1275 N VAL A 85 -9.599 -3.058 -0.866 1.00 0.00 N ATOM 1276 CA VAL A 85 -8.960 -2.395 0.265 1.00 0.00 C ATOM 1277 C VAL A 85 -9.552 -2.871 1.587 1.00 0.00 C ATOM 1278 O VAL A 85 -8.826 -3.286 2.488 1.00 0.00 O ATOM 1279 CB VAL A 85 -9.103 -0.864 0.171 1.00 0.00 C ATOM 1280 CG1 VAL A 85 -8.843 -0.220 1.524 1.00 0.00 C ATOM 1281 CG2 VAL A 85 -8.162 -0.305 -0.885 1.00 0.00 C ATOM 0 H VAL A 85 -9.686 -2.478 -1.700 1.00 0.00 H new ATOM 0 HA VAL A 85 -7.902 -2.656 0.230 1.00 0.00 H new ATOM 0 HB VAL A 85 -10.125 -0.629 -0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -8.948 0.862 1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -9.562 -0.598 2.251 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.832 -0.461 1.854 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -8.276 0.778 -0.938 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -7.133 -0.549 -0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -8.401 -0.743 -1.854 1.00 0.00 H new ATOM 1291 N GLU A 86 -10.875 -2.805 1.694 1.00 0.00 N ATOM 1292 CA GLU A 86 -11.565 -3.229 2.907 1.00 0.00 C ATOM 1293 C GLU A 86 -11.120 -4.628 3.325 1.00 0.00 C ATOM 1294 O GLU A 86 -10.449 -4.798 4.342 1.00 0.00 O ATOM 1295 CB GLU A 86 -13.080 -3.206 2.694 1.00 0.00 C ATOM 1296 CG GLU A 86 -13.685 -1.815 2.775 1.00 0.00 C ATOM 1297 CD GLU A 86 -15.194 -1.826 2.631 1.00 0.00 C ATOM 1298 OE1 GLU A 86 -15.887 -1.961 3.662 1.00 0.00 O ATOM 1299 OE2 GLU A 86 -15.683 -1.700 1.489 1.00 0.00 O ATOM 0 H GLU A 86 -11.490 -2.462 0.956 1.00 0.00 H new ATOM 0 HA GLU A 86 -11.307 -2.531 3.704 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.308 -3.636 1.719 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.553 -3.843 3.441 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.418 -1.362 3.730 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.254 -1.189 1.994 1.00 0.00 H new ATOM 1306 N GLN A 87 -11.501 -5.625 2.533 1.00 0.00 N ATOM 1307 CA GLN A 87 -11.142 -7.008 2.821 1.00 0.00 C ATOM 1308 C GLN A 87 -9.723 -7.099 3.373 1.00 0.00 C ATOM 1309 O GLN A 87 -9.487 -7.737 4.400 1.00 0.00 O ATOM 1310 CB GLN A 87 -11.267 -7.863 1.558 1.00 0.00 C ATOM 1311 CG GLN A 87 -12.690 -8.310 1.264 1.00 0.00 C ATOM 1312 CD GLN A 87 -12.744 -9.522 0.356 1.00 0.00 C ATOM 1313 OE1 GLN A 87 -12.727 -9.396 -0.870 1.00 0.00 O ATOM 1314 NE2 GLN A 87 -12.809 -10.707 0.952 1.00 0.00 N ATOM 0 H GLN A 87 -12.058 -5.501 1.688 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.831 -7.386 3.577 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -10.890 -7.296 0.707 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -10.632 -8.743 1.661 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.196 -8.540 2.202 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.237 -7.489 0.800 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -12.821 -10.766 1.970 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -12.847 -11.558 0.392 1.00 0.00 H new ATOM 1323 N ILE A 88 -8.784 -6.458 2.686 1.00 0.00 N ATOM 1324 CA ILE A 88 -7.389 -6.467 3.109 1.00 0.00 C ATOM 1325 C ILE A 88 -7.255 -6.054 4.570 1.00 0.00 C ATOM 1326 O ILE A 88 -6.645 -6.761 5.373 1.00 0.00 O ATOM 1327 CB ILE A 88 -6.532 -5.528 2.240 1.00 0.00 C ATOM 1328 CG1 ILE A 88 -6.577 -5.968 0.776 1.00 0.00 C ATOM 1329 CG2 ILE A 88 -5.098 -5.500 2.747 1.00 0.00 C ATOM 1330 CD1 ILE A 88 -6.164 -4.884 -0.194 1.00 0.00 C ATOM 0 H ILE A 88 -8.963 -5.926 1.834 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.029 -7.489 2.989 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.941 -4.520 2.308 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.924 -6.830 0.644 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.588 -6.294 0.534 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -4.504 -4.832 2.123 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.083 -5.143 3.777 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.678 -6.505 2.705 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.220 -5.267 -1.213 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.832 -4.029 -0.090 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.142 -4.573 0.021 1.00 0.00 H new ATOM 1342 N TYR A 89 -7.830 -4.906 4.909 1.00 0.00 N ATOM 1343 CA TYR A 89 -7.774 -4.397 6.275 1.00 0.00 C ATOM 1344 C TYR A 89 -8.478 -5.348 7.240 1.00 0.00 C ATOM 1345 O TYR A 89 -7.881 -5.820 8.207 1.00 0.00 O ATOM 1346 CB TYR A 89 -8.415 -3.010 6.352 1.00 0.00 C ATOM 1347 CG TYR A 89 -7.496 -1.894 5.909 1.00 0.00 C ATOM 1348 CD1 TYR A 89 -6.254 -1.713 6.505 1.00 0.00 C ATOM 1349 CD2 TYR A 89 -7.870 -1.020 4.896 1.00 0.00 C ATOM 1350 CE1 TYR A 89 -5.411 -0.694 6.104 1.00 0.00 C ATOM 1351 CE2 TYR A 89 -7.033 0.000 4.487 1.00 0.00 C ATOM 1352 CZ TYR A 89 -5.806 0.160 5.095 1.00 0.00 C ATOM 1353 OH TYR A 89 -4.969 1.176 4.693 1.00 0.00 O ATOM 0 H TYR A 89 -8.340 -4.310 4.257 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.726 -4.323 6.565 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -9.312 -2.998 5.733 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -8.733 -2.822 7.377 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.942 -2.380 7.295 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -8.832 -1.140 4.420 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.449 -0.567 6.578 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.338 0.668 3.695 1.00 0.00 H new ATOM 0 HH TYR A 89 -5.396 1.686 3.973 1.00 0.00 H new ATOM 1363 N GLN A 90 -9.749 -5.623 6.967 1.00 0.00 N ATOM 1364 CA GLN A 90 -10.534 -6.518 7.810 1.00 0.00 C ATOM 1365 C GLN A 90 -9.672 -7.654 8.349 1.00 0.00 C ATOM 1366 O GLN A 90 -9.511 -7.804 9.561 1.00 0.00 O ATOM 1367 CB GLN A 90 -11.716 -7.087 7.023 1.00 0.00 C ATOM 1368 CG GLN A 90 -12.974 -6.238 7.118 1.00 0.00 C ATOM 1369 CD GLN A 90 -13.844 -6.613 8.301 1.00 0.00 C ATOM 1370 OE1 GLN A 90 -13.386 -6.618 9.446 1.00 0.00 O ATOM 1371 NE2 GLN A 90 -15.105 -6.930 8.034 1.00 0.00 N ATOM 0 H GLN A 90 -10.257 -5.240 6.170 1.00 0.00 H new ATOM 0 HA GLN A 90 -10.912 -5.942 8.655 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.431 -7.184 5.975 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.936 -8.090 7.388 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -12.694 -5.188 7.197 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -13.551 -6.346 6.199 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -15.442 -6.913 7.072 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -15.737 -7.191 8.791 1.00 0.00 H new ATOM 1380 N ASP A 91 -9.119 -8.452 7.442 1.00 0.00 N ATOM 1381 CA ASP A 91 -8.272 -9.575 7.826 1.00 0.00 C ATOM 1382 C ASP A 91 -6.913 -9.492 7.138 1.00 0.00 C ATOM 1383 O ASP A 91 -6.781 -9.824 5.960 1.00 0.00 O ATOM 1384 CB ASP A 91 -8.954 -10.899 7.476 1.00 0.00 C ATOM 1385 CG ASP A 91 -10.466 -10.805 7.537 1.00 0.00 C ATOM 1386 OD1 ASP A 91 -11.067 -10.258 6.588 1.00 0.00 O ATOM 1387 OD2 ASP A 91 -11.050 -11.280 8.533 1.00 0.00 O ATOM 0 H ASP A 91 -9.242 -8.342 6.435 1.00 0.00 H new ATOM 0 HA ASP A 91 -8.117 -9.528 8.904 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -8.652 -11.206 6.475 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -8.613 -11.673 8.164 1.00 0.00 H new ATOM 1392 N ARG A 92 -5.907 -9.044 7.882 1.00 0.00 N ATOM 1393 CA ARG A 92 -4.558 -8.913 7.343 1.00 0.00 C ATOM 1394 C ARG A 92 -3.876 -10.275 7.250 1.00 0.00 C ATOM 1395 O ARG A 92 -3.433 -10.687 6.178 1.00 0.00 O ATOM 1396 CB ARG A 92 -3.726 -7.973 8.215 1.00 0.00 C ATOM 1397 CG ARG A 92 -4.332 -6.587 8.367 1.00 0.00 C ATOM 1398 CD ARG A 92 -3.289 -5.566 8.793 1.00 0.00 C ATOM 1399 NE ARG A 92 -2.814 -5.803 10.154 1.00 0.00 N ATOM 1400 CZ ARG A 92 -3.515 -5.497 11.240 1.00 0.00 C ATOM 1401 NH1 ARG A 92 -4.716 -4.944 11.125 1.00 0.00 N ATOM 1402 NH2 ARG A 92 -3.016 -5.743 12.445 1.00 0.00 N ATOM 0 H ARG A 92 -6.000 -8.766 8.859 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.634 -8.494 6.340 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -3.606 -8.418 9.203 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.729 -7.879 7.785 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.779 -6.279 7.422 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -5.134 -6.618 9.104 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -2.445 -5.600 8.104 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.714 -4.564 8.727 1.00 0.00 H new ATOM 0 HE ARG A 92 -1.894 -6.226 10.277 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.103 -4.753 10.201 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -5.252 -4.710 11.961 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -2.093 -6.167 12.538 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -3.555 -5.508 13.278 1.00 0.00 H new ATOM 1416 N ASP A 93 -3.794 -10.968 8.380 1.00 0.00 N ATOM 1417 CA ASP A 93 -3.166 -12.283 8.428 1.00 0.00 C ATOM 1418 C ASP A 93 -3.679 -13.171 7.298 1.00 0.00 C ATOM 1419 O ASP A 93 -2.904 -13.869 6.645 1.00 0.00 O ATOM 1420 CB ASP A 93 -3.433 -12.951 9.778 1.00 0.00 C ATOM 1421 CG ASP A 93 -3.171 -12.021 10.945 1.00 0.00 C ATOM 1422 OD1 ASP A 93 -1.990 -11.700 11.196 1.00 0.00 O ATOM 1423 OD2 ASP A 93 -4.146 -11.613 11.609 1.00 0.00 O ATOM 0 H ASP A 93 -4.155 -10.641 9.276 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.091 -12.150 8.303 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.468 -13.291 9.813 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.803 -13.836 9.873 1.00 0.00 H new ATOM 1428 N GLN A 94 -4.988 -13.138 7.073 1.00 0.00 N ATOM 1429 CA GLN A 94 -5.603 -13.941 6.023 1.00 0.00 C ATOM 1430 C GLN A 94 -5.035 -13.577 4.656 1.00 0.00 C ATOM 1431 O GLN A 94 -4.675 -14.452 3.869 1.00 0.00 O ATOM 1432 CB GLN A 94 -7.121 -13.746 6.026 1.00 0.00 C ATOM 1433 CG GLN A 94 -7.832 -14.493 4.909 1.00 0.00 C ATOM 1434 CD GLN A 94 -8.113 -15.940 5.260 1.00 0.00 C ATOM 1435 OE1 GLN A 94 -8.085 -16.323 6.431 1.00 0.00 O ATOM 1436 NE2 GLN A 94 -8.387 -16.753 4.247 1.00 0.00 N ATOM 0 H GLN A 94 -5.643 -12.564 7.604 1.00 0.00 H new ATOM 0 HA GLN A 94 -5.377 -14.989 6.222 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.520 -14.077 6.985 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.343 -12.682 5.939 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.772 -13.990 4.681 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.223 -14.454 4.006 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.399 -16.393 3.293 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -8.585 -17.738 4.423 1.00 0.00 H new ATOM 1445 N PHE A 95 -4.957 -12.279 4.380 1.00 0.00 N ATOM 1446 CA PHE A 95 -4.433 -11.799 3.106 1.00 0.00 C ATOM 1447 C PHE A 95 -3.106 -12.476 2.774 1.00 0.00 C ATOM 1448 O PHE A 95 -2.973 -13.131 1.741 1.00 0.00 O ATOM 1449 CB PHE A 95 -4.248 -10.281 3.146 1.00 0.00 C ATOM 1450 CG PHE A 95 -3.550 -9.730 1.936 1.00 0.00 C ATOM 1451 CD1 PHE A 95 -3.744 -10.300 0.688 1.00 0.00 C ATOM 1452 CD2 PHE A 95 -2.699 -8.641 2.046 1.00 0.00 C ATOM 1453 CE1 PHE A 95 -3.103 -9.795 -0.427 1.00 0.00 C ATOM 1454 CE2 PHE A 95 -2.057 -8.132 0.934 1.00 0.00 C ATOM 1455 CZ PHE A 95 -2.258 -8.710 -0.305 1.00 0.00 C ATOM 0 H PHE A 95 -5.250 -11.541 5.021 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.154 -12.050 2.328 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -5.225 -9.806 3.240 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -3.678 -10.016 4.036 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.404 -11.149 0.586 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.536 -8.186 3.012 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.263 -10.249 -1.394 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -1.398 -7.282 1.033 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.756 -8.314 -1.175 1.00 0.00 H new ATOM 1465 N ALA A 96 -2.127 -12.311 3.658 1.00 0.00 N ATOM 1466 CA ALA A 96 -0.812 -12.907 3.460 1.00 0.00 C ATOM 1467 C ALA A 96 -0.915 -14.416 3.272 1.00 0.00 C ATOM 1468 O ALA A 96 -0.218 -14.998 2.440 1.00 0.00 O ATOM 1469 CB ALA A 96 0.097 -12.581 4.636 1.00 0.00 C ATOM 0 H ALA A 96 -2.220 -11.770 4.518 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.382 -12.483 2.553 1.00 0.00 H new ATOM 0 HB1 ALA A 96 1.076 -13.032 4.475 1.00 0.00 H new ATOM 0 HB2 ALA A 96 0.206 -11.500 4.723 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.339 -12.977 5.553 1.00 0.00 H new ATOM 1475 N LYS A 97 -1.788 -15.047 4.050 1.00 0.00 N ATOM 1476 CA LYS A 97 -1.983 -16.490 3.969 1.00 0.00 C ATOM 1477 C LYS A 97 -2.277 -16.919 2.536 1.00 0.00 C ATOM 1478 O LYS A 97 -1.881 -18.005 2.109 1.00 0.00 O ATOM 1479 CB LYS A 97 -3.129 -16.921 4.887 1.00 0.00 C ATOM 1480 CG LYS A 97 -3.312 -18.428 4.964 1.00 0.00 C ATOM 1481 CD LYS A 97 -4.713 -18.797 5.420 1.00 0.00 C ATOM 1482 CE LYS A 97 -4.913 -18.506 6.900 1.00 0.00 C ATOM 1483 NZ LYS A 97 -6.190 -19.077 7.410 1.00 0.00 N ATOM 0 H LYS A 97 -2.372 -14.581 4.744 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.063 -16.976 4.293 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.946 -16.534 5.889 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -4.056 -16.468 4.535 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.119 -18.869 3.986 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.581 -18.849 5.654 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.445 -18.239 4.836 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.892 -19.855 5.229 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.079 -18.919 7.467 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.907 -17.428 7.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -6.289 -18.857 8.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.988 -18.665 6.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -6.186 -20.109 7.279 1.00 0.00 H new ATOM 1497 N LEU A 98 -2.969 -16.061 1.795 1.00 0.00 N ATOM 1498 CA LEU A 98 -3.314 -16.351 0.408 1.00 0.00 C ATOM 1499 C LEU A 98 -2.084 -16.258 -0.490 1.00 0.00 C ATOM 1500 O LEU A 98 -1.848 -17.126 -1.329 1.00 0.00 O ATOM 1501 CB LEU A 98 -4.392 -15.384 -0.084 1.00 0.00 C ATOM 1502 CG LEU A 98 -5.605 -15.209 0.832 1.00 0.00 C ATOM 1503 CD1 LEU A 98 -6.637 -14.300 0.184 1.00 0.00 C ATOM 1504 CD2 LEU A 98 -6.218 -16.560 1.169 1.00 0.00 C ATOM 0 H LEU A 98 -3.303 -15.158 2.132 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.700 -17.369 0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.933 -14.407 -0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.743 -15.727 -1.057 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.272 -14.742 1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.492 -14.188 0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.193 -13.323 -0.005 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.966 -14.737 -0.759 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.079 -16.416 1.821 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.536 -17.054 0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.478 -17.179 1.676 1.00 0.00 H new ATOM 1516 N VAL A 99 -1.302 -15.199 -0.305 1.00 0.00 N ATOM 1517 CA VAL A 99 -0.095 -14.993 -1.095 1.00 0.00 C ATOM 1518 C VAL A 99 0.901 -16.127 -0.882 1.00 0.00 C ATOM 1519 O VAL A 99 1.512 -16.618 -1.833 1.00 0.00 O ATOM 1520 CB VAL A 99 0.585 -13.656 -0.745 1.00 0.00 C ATOM 1521 CG1 VAL A 99 1.717 -13.361 -1.717 1.00 0.00 C ATOM 1522 CG2 VAL A 99 -0.434 -12.526 -0.742 1.00 0.00 C ATOM 0 H VAL A 99 -1.483 -14.471 0.386 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.402 -14.973 -2.141 1.00 0.00 H new ATOM 0 HB VAL A 99 1.010 -13.735 0.256 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.185 -12.413 -1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.458 -14.158 -1.665 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.320 -13.300 -2.730 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.063 -11.588 -0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.889 -12.444 -1.729 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.207 -12.735 -0.002 1.00 0.00 H new ATOM 1532 N ARG A 100 1.060 -16.541 0.370 1.00 0.00 N ATOM 1533 CA ARG A 100 1.983 -17.617 0.709 1.00 0.00 C ATOM 1534 C ARG A 100 1.436 -18.966 0.250 1.00 0.00 C ATOM 1535 O ARG A 100 2.197 -19.895 -0.022 1.00 0.00 O ATOM 1536 CB ARG A 100 2.238 -17.644 2.217 1.00 0.00 C ATOM 1537 CG ARG A 100 1.130 -18.316 3.011 1.00 0.00 C ATOM 1538 CD ARG A 100 1.531 -18.525 4.462 1.00 0.00 C ATOM 1539 NE ARG A 100 2.229 -19.792 4.661 1.00 0.00 N ATOM 1540 CZ ARG A 100 2.395 -20.360 5.850 1.00 0.00 C ATOM 1541 NH1 ARG A 100 1.914 -19.779 6.940 1.00 0.00 N ATOM 1542 NH2 ARG A 100 3.041 -21.515 5.950 1.00 0.00 N ATOM 0 H ARG A 100 0.561 -16.147 1.168 1.00 0.00 H new ATOM 0 HA ARG A 100 2.925 -17.431 0.192 1.00 0.00 H new ATOM 0 HB2 ARG A 100 3.177 -18.163 2.409 1.00 0.00 H new ATOM 0 HB3 ARG A 100 2.361 -16.622 2.574 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.228 -17.706 2.966 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.888 -19.277 2.558 1.00 0.00 H new ATOM 0 HD2 ARG A 100 2.172 -17.704 4.782 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.641 -18.499 5.091 1.00 0.00 H new ATOM 0 HE ARG A 100 2.610 -20.267 3.842 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.414 -18.893 6.867 1.00 0.00 H new ATOM 0 HH12 ARG A 100 2.043 -20.218 7.851 1.00 0.00 H new ATOM 0 HH21 ARG A 100 3.410 -21.967 5.113 1.00 0.00 H new ATOM 0 HH22 ARG A 100 3.168 -21.951 6.863 1.00 0.00 H new ATOM 1556 N GLU A 101 0.113 -19.066 0.169 1.00 0.00 N ATOM 1557 CA GLU A 101 -0.535 -20.301 -0.255 1.00 0.00 C ATOM 1558 C GLU A 101 -0.402 -20.496 -1.763 1.00 0.00 C ATOM 1559 O GLU A 101 -0.242 -21.618 -2.244 1.00 0.00 O ATOM 1560 CB GLU A 101 -2.013 -20.290 0.140 1.00 0.00 C ATOM 1561 CG GLU A 101 -2.254 -20.618 1.605 1.00 0.00 C ATOM 1562 CD GLU A 101 -2.436 -22.105 1.847 1.00 0.00 C ATOM 1563 OE1 GLU A 101 -1.418 -22.807 2.020 1.00 0.00 O ATOM 1564 OE2 GLU A 101 -3.597 -22.564 1.863 1.00 0.00 O ATOM 0 H GLU A 101 -0.531 -18.307 0.391 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.038 -21.132 0.247 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.431 -19.307 -0.077 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.551 -21.009 -0.478 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.413 -20.257 2.197 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.140 -20.086 1.952 1.00 0.00 H new ATOM 1571 N VAL A 102 -0.471 -19.395 -2.504 1.00 0.00 N ATOM 1572 CA VAL A 102 -0.359 -19.443 -3.956 1.00 0.00 C ATOM 1573 C VAL A 102 1.102 -19.492 -4.393 1.00 0.00 C ATOM 1574 O VAL A 102 1.419 -19.979 -5.478 1.00 0.00 O ATOM 1575 CB VAL A 102 -1.038 -18.225 -4.613 1.00 0.00 C ATOM 1576 CG1 VAL A 102 -0.264 -16.953 -4.308 1.00 0.00 C ATOM 1577 CG2 VAL A 102 -1.168 -18.435 -6.114 1.00 0.00 C ATOM 0 H VAL A 102 -0.604 -18.459 -2.122 1.00 0.00 H new ATOM 0 HA VAL A 102 -0.865 -20.352 -4.282 1.00 0.00 H new ATOM 0 HB VAL A 102 -2.040 -18.119 -4.196 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.759 -16.104 -4.780 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.228 -16.798 -3.230 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.751 -17.043 -4.695 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -1.649 -17.566 -6.563 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -0.178 -18.567 -6.550 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -1.770 -19.323 -6.306 1.00 0.00 H new ATOM 1587 N ALA A 103 1.986 -18.985 -3.541 1.00 0.00 N ATOM 1588 CA ALA A 103 3.413 -18.973 -3.837 1.00 0.00 C ATOM 1589 C ALA A 103 4.087 -20.248 -3.342 1.00 0.00 C ATOM 1590 O ALA A 103 5.069 -20.708 -3.922 1.00 0.00 O ATOM 1591 CB ALA A 103 4.071 -17.750 -3.216 1.00 0.00 C ATOM 0 H ALA A 103 1.739 -18.577 -2.639 1.00 0.00 H new ATOM 0 HA ALA A 103 3.534 -18.926 -4.919 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.137 -17.754 -3.445 1.00 0.00 H new ATOM 0 HB2 ALA A 103 3.616 -16.847 -3.622 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.932 -17.772 -2.135 1.00 0.00 H new ATOM 1597 N ALA A 104 3.552 -20.814 -2.265 1.00 0.00 N ATOM 1598 CA ALA A 104 4.101 -22.037 -1.692 1.00 0.00 C ATOM 1599 C ALA A 104 4.352 -23.084 -2.771 1.00 0.00 C ATOM 1600 O ALA A 104 5.477 -23.536 -2.984 1.00 0.00 O ATOM 1601 CB ALA A 104 3.165 -22.587 -0.626 1.00 0.00 C ATOM 0 H ALA A 104 2.739 -20.445 -1.772 1.00 0.00 H new ATOM 0 HA ALA A 104 5.058 -21.795 -1.229 1.00 0.00 H new ATOM 0 HB1 ALA A 104 3.588 -23.500 -0.207 1.00 0.00 H new ATOM 0 HB2 ALA A 104 3.041 -21.848 0.166 1.00 0.00 H new ATOM 0 HB3 ALA A 104 2.195 -22.807 -1.072 1.00 0.00 H new ATOM 1607 N PRO A 105 3.278 -23.482 -3.471 1.00 0.00 N ATOM 1608 CA PRO A 105 3.357 -24.481 -4.541 1.00 0.00 C ATOM 1609 C PRO A 105 4.087 -23.957 -5.772 1.00 0.00 C ATOM 1610 O PRO A 105 4.281 -24.684 -6.747 1.00 0.00 O ATOM 1611 CB PRO A 105 1.888 -24.766 -4.869 1.00 0.00 C ATOM 1612 CG PRO A 105 1.164 -23.529 -4.461 1.00 0.00 C ATOM 1613 CD PRO A 105 1.907 -22.987 -3.272 1.00 0.00 C ATOM 0 HA PRO A 105 3.918 -25.363 -4.234 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.752 -24.973 -5.930 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.522 -25.637 -4.325 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.145 -22.802 -5.273 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.128 -23.750 -4.206 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.874 -21.898 -3.240 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.482 -23.347 -2.335 1.00 0.00 H new ATOM 1621 N ASP A 106 4.489 -22.692 -5.721 1.00 0.00 N ATOM 1622 CA ASP A 106 5.199 -22.070 -6.832 1.00 0.00 C ATOM 1623 C ASP A 106 6.708 -22.137 -6.619 1.00 0.00 C ATOM 1624 O ASP A 106 7.445 -22.636 -7.469 1.00 0.00 O ATOM 1625 CB ASP A 106 4.759 -20.615 -6.997 1.00 0.00 C ATOM 1626 CG ASP A 106 3.497 -20.482 -7.825 1.00 0.00 C ATOM 1627 OD1 ASP A 106 2.460 -21.049 -7.421 1.00 0.00 O ATOM 1628 OD2 ASP A 106 3.545 -19.813 -8.879 1.00 0.00 O ATOM 0 H ASP A 106 4.335 -22.077 -4.922 1.00 0.00 H new ATOM 0 HA ASP A 106 4.954 -22.620 -7.740 1.00 0.00 H new ATOM 0 HB2 ASP A 106 4.593 -20.175 -6.014 1.00 0.00 H new ATOM 0 HB3 ASP A 106 5.561 -20.047 -7.469 1.00 0.00 H new ATOM 1633 N VAL A 107 7.161 -21.629 -5.477 1.00 0.00 N ATOM 1634 CA VAL A 107 8.583 -21.631 -5.150 1.00 0.00 C ATOM 1635 C VAL A 107 9.159 -23.042 -5.214 1.00 0.00 C ATOM 1636 O VAL A 107 10.332 -23.230 -5.536 1.00 0.00 O ATOM 1637 CB VAL A 107 8.837 -21.046 -3.748 1.00 0.00 C ATOM 1638 CG1 VAL A 107 8.519 -19.559 -3.724 1.00 0.00 C ATOM 1639 CG2 VAL A 107 8.021 -21.792 -2.704 1.00 0.00 C ATOM 0 H VAL A 107 6.565 -21.211 -4.763 1.00 0.00 H new ATOM 0 HA VAL A 107 9.080 -21.005 -5.891 1.00 0.00 H new ATOM 0 HB VAL A 107 9.893 -21.170 -3.507 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.704 -19.163 -2.725 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.152 -19.040 -4.443 1.00 0.00 H new ATOM 0 HG13 VAL A 107 7.472 -19.407 -3.986 1.00 0.00 H new ATOM 0 HG21 VAL A 107 8.213 -21.365 -1.719 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.960 -21.701 -2.938 1.00 0.00 H new ATOM 0 HG23 VAL A 107 8.304 -22.845 -2.705 1.00 0.00 H new ATOM 1649 N GLY A 108 8.326 -24.030 -4.903 1.00 0.00 N ATOM 1650 CA GLY A 108 8.771 -25.411 -4.932 1.00 0.00 C ATOM 1651 C GLY A 108 9.345 -25.808 -6.277 1.00 0.00 C ATOM 1652 O GLY A 108 10.135 -26.749 -6.369 1.00 0.00 O ATOM 0 H GLY A 108 7.352 -23.899 -4.632 1.00 0.00 H new ATOM 0 HA2 GLY A 108 9.525 -25.563 -4.160 1.00 0.00 H new ATOM 0 HA3 GLY A 108 7.933 -26.065 -4.691 1.00 0.00 H new ATOM 1656 N ARG A 109 8.949 -25.091 -7.323 1.00 0.00 N ATOM 1657 CA ARG A 109 9.427 -25.376 -8.670 1.00 0.00 C ATOM 1658 C ARG A 109 10.925 -25.109 -8.783 1.00 0.00 C ATOM 1659 O ARG A 109 11.683 -25.956 -9.254 1.00 0.00 O ATOM 1660 CB ARG A 109 8.668 -24.528 -9.694 1.00 0.00 C ATOM 1661 CG ARG A 109 7.220 -24.948 -9.878 1.00 0.00 C ATOM 1662 CD ARG A 109 6.620 -24.342 -11.137 1.00 0.00 C ATOM 1663 NE ARG A 109 6.832 -25.189 -12.306 1.00 0.00 N ATOM 1664 CZ ARG A 109 6.329 -26.412 -12.430 1.00 0.00 C ATOM 1665 NH1 ARG A 109 5.587 -26.928 -11.459 1.00 0.00 N ATOM 1666 NH2 ARG A 109 6.567 -27.122 -13.526 1.00 0.00 N ATOM 0 H ARG A 109 8.298 -24.308 -7.263 1.00 0.00 H new ATOM 0 HA ARG A 109 9.247 -26.431 -8.877 1.00 0.00 H new ATOM 0 HB2 ARG A 109 8.698 -23.484 -9.382 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.180 -24.589 -10.654 1.00 0.00 H new ATOM 0 HG2 ARG A 109 7.159 -26.035 -9.932 1.00 0.00 H new ATOM 0 HG3 ARG A 109 6.637 -24.639 -9.010 1.00 0.00 H new ATOM 0 HD2 ARG A 109 5.551 -24.187 -10.991 1.00 0.00 H new ATOM 0 HD3 ARG A 109 7.063 -23.362 -11.314 1.00 0.00 H new ATOM 0 HE ARG A 109 7.398 -24.821 -13.071 1.00 0.00 H new ATOM 0 HH11 ARG A 109 5.402 -26.385 -10.615 1.00 0.00 H new ATOM 0 HH12 ARG A 109 5.202 -27.867 -11.556 1.00 0.00 H new ATOM 0 HH21 ARG A 109 7.137 -26.729 -14.275 1.00 0.00 H new ATOM 0 HH22 ARG A 109 6.180 -28.061 -13.619 1.00 0.00 H new ATOM 1680 N MET A 110 11.344 -23.925 -8.348 1.00 0.00 N ATOM 1681 CA MET A 110 12.752 -23.547 -8.398 1.00 0.00 C ATOM 1682 C MET A 110 13.565 -24.336 -7.378 1.00 0.00 C ATOM 1683 O MET A 110 14.720 -24.681 -7.622 1.00 0.00 O ATOM 1684 CB MET A 110 12.908 -22.047 -8.144 1.00 0.00 C ATOM 1685 CG MET A 110 12.083 -21.539 -6.973 1.00 0.00 C ATOM 1686 SD MET A 110 12.578 -19.891 -6.435 1.00 0.00 S ATOM 1687 CE MET A 110 11.017 -19.248 -5.836 1.00 0.00 C ATOM 0 H MET A 110 10.729 -23.211 -7.957 1.00 0.00 H new ATOM 0 HA MET A 110 13.130 -23.781 -9.393 1.00 0.00 H new ATOM 0 HB2 MET A 110 13.959 -21.826 -7.960 1.00 0.00 H new ATOM 0 HB3 MET A 110 12.620 -21.503 -9.044 1.00 0.00 H new ATOM 0 HG2 MET A 110 11.030 -21.523 -7.255 1.00 0.00 H new ATOM 0 HG3 MET A 110 12.179 -22.233 -6.138 1.00 0.00 H new ATOM 0 HE1 MET A 110 11.111 -18.178 -5.651 1.00 0.00 H new ATOM 0 HE2 MET A 110 10.242 -19.421 -6.583 1.00 0.00 H new ATOM 0 HE3 MET A 110 10.747 -19.754 -4.909 1.00 0.00 H new ATOM 1697 N GLY A 111 12.953 -24.618 -6.231 1.00 0.00 N ATOM 1698 CA GLY A 111 13.635 -25.363 -5.190 1.00 0.00 C ATOM 1699 C GLY A 111 13.669 -24.618 -3.871 1.00 0.00 C ATOM 1700 O GLY A 111 14.487 -24.920 -3.000 1.00 0.00 O ATOM 0 H GLY A 111 11.997 -24.343 -6.005 1.00 0.00 H new ATOM 0 HA2 GLY A 111 13.137 -26.323 -5.049 1.00 0.00 H new ATOM 0 HA3 GLY A 111 14.655 -25.577 -5.509 1.00 0.00 H new ATOM 1704 N ILE A 112 12.780 -23.642 -3.721 1.00 0.00 N ATOM 1705 CA ILE A 112 12.712 -22.852 -2.498 1.00 0.00 C ATOM 1706 C ILE A 112 11.412 -23.114 -1.745 1.00 0.00 C ATOM 1707 O ILE A 112 10.357 -23.294 -2.353 1.00 0.00 O ATOM 1708 CB ILE A 112 12.826 -21.345 -2.795 1.00 0.00 C ATOM 1709 CG1 ILE A 112 14.131 -21.045 -3.534 1.00 0.00 C ATOM 1710 CG2 ILE A 112 12.745 -20.543 -1.504 1.00 0.00 C ATOM 1711 CD1 ILE A 112 15.335 -21.742 -2.940 1.00 0.00 C ATOM 0 H ILE A 112 12.097 -23.379 -4.431 1.00 0.00 H new ATOM 0 HA ILE A 112 13.555 -23.157 -1.878 1.00 0.00 H new ATOM 0 HB ILE A 112 11.993 -21.052 -3.435 1.00 0.00 H new ATOM 0 HG12 ILE A 112 14.026 -21.344 -4.577 1.00 0.00 H new ATOM 0 HG13 ILE A 112 14.304 -19.969 -3.527 1.00 0.00 H new ATOM 0 HG21 ILE A 112 12.827 -19.480 -1.730 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.791 -20.737 -1.014 1.00 0.00 H new ATOM 0 HG23 ILE A 112 13.559 -20.837 -0.841 1.00 0.00 H new ATOM 0 HD11 ILE A 112 16.225 -21.484 -3.514 1.00 0.00 H new ATOM 0 HD12 ILE A 112 15.466 -21.424 -1.906 1.00 0.00 H new ATOM 0 HD13 ILE A 112 15.183 -22.821 -2.972 1.00 0.00 H new ATOM 1723 N GLU A 113 11.496 -23.132 -0.419 1.00 0.00 N ATOM 1724 CA GLU A 113 10.326 -23.370 0.417 1.00 0.00 C ATOM 1725 C GLU A 113 10.053 -22.175 1.326 1.00 0.00 C ATOM 1726 O GLU A 113 10.968 -21.629 1.943 1.00 0.00 O ATOM 1727 CB GLU A 113 10.522 -24.632 1.261 1.00 0.00 C ATOM 1728 CG GLU A 113 9.523 -24.765 2.398 1.00 0.00 C ATOM 1729 CD GLU A 113 9.509 -26.157 3.002 1.00 0.00 C ATOM 1730 OE1 GLU A 113 9.584 -27.138 2.233 1.00 0.00 O ATOM 1731 OE2 GLU A 113 9.423 -26.263 4.242 1.00 0.00 O ATOM 0 H GLU A 113 12.362 -22.985 0.099 1.00 0.00 H new ATOM 0 HA GLU A 113 9.466 -23.509 -0.239 1.00 0.00 H new ATOM 0 HB2 GLU A 113 10.443 -25.507 0.615 1.00 0.00 H new ATOM 0 HB3 GLU A 113 11.531 -24.630 1.673 1.00 0.00 H new ATOM 0 HG2 GLU A 113 9.763 -24.038 3.174 1.00 0.00 H new ATOM 0 HG3 GLU A 113 8.526 -24.522 2.031 1.00 0.00 H new ATOM 1738 N ILE A 114 8.788 -21.774 1.403 1.00 0.00 N ATOM 1739 CA ILE A 114 8.395 -20.645 2.236 1.00 0.00 C ATOM 1740 C ILE A 114 8.226 -21.068 3.691 1.00 0.00 C ATOM 1741 O ILE A 114 7.618 -22.098 3.983 1.00 0.00 O ATOM 1742 CB ILE A 114 7.081 -20.012 1.742 1.00 0.00 C ATOM 1743 CG1 ILE A 114 5.916 -20.984 1.936 1.00 0.00 C ATOM 1744 CG2 ILE A 114 7.203 -19.609 0.280 1.00 0.00 C ATOM 1745 CD1 ILE A 114 5.226 -20.841 3.274 1.00 0.00 C ATOM 0 H ILE A 114 8.019 -22.214 0.899 1.00 0.00 H new ATOM 0 HA ILE A 114 9.194 -19.907 2.165 1.00 0.00 H new ATOM 0 HB ILE A 114 6.884 -19.116 2.330 1.00 0.00 H new ATOM 0 HG12 ILE A 114 5.186 -20.827 1.142 1.00 0.00 H new ATOM 0 HG13 ILE A 114 6.284 -22.005 1.834 1.00 0.00 H new ATOM 0 HG21 ILE A 114 6.266 -19.163 -0.054 1.00 0.00 H new ATOM 0 HG22 ILE A 114 8.010 -18.884 0.168 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.421 -20.490 -0.323 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.411 -21.561 3.342 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.942 -21.027 4.074 1.00 0.00 H new ATOM 0 HD13 ILE A 114 4.827 -19.831 3.372 1.00 0.00 H new ATOM 1757 N LEU A 115 8.767 -20.265 4.601 1.00 0.00 N ATOM 1758 CA LEU A 115 8.675 -20.554 6.028 1.00 0.00 C ATOM 1759 C LEU A 115 7.375 -20.009 6.612 1.00 0.00 C ATOM 1760 O LEU A 115 6.613 -20.740 7.244 1.00 0.00 O ATOM 1761 CB LEU A 115 9.871 -19.953 6.768 1.00 0.00 C ATOM 1762 CG LEU A 115 11.169 -20.761 6.715 1.00 0.00 C ATOM 1763 CD1 LEU A 115 10.936 -22.178 7.212 1.00 0.00 C ATOM 1764 CD2 LEU A 115 11.729 -20.775 5.300 1.00 0.00 C ATOM 0 H LEU A 115 9.274 -19.409 4.376 1.00 0.00 H new ATOM 0 HA LEU A 115 8.683 -21.637 6.155 1.00 0.00 H new ATOM 0 HB2 LEU A 115 10.066 -18.962 6.357 1.00 0.00 H new ATOM 0 HB3 LEU A 115 9.594 -19.816 7.813 1.00 0.00 H new ATOM 0 HG LEU A 115 11.899 -20.285 7.369 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.870 -22.738 7.167 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.580 -22.148 8.242 1.00 0.00 H new ATOM 0 HD13 LEU A 115 10.190 -22.666 6.584 1.00 0.00 H new ATOM 0 HD21 LEU A 115 12.652 -21.354 5.280 1.00 0.00 H new ATOM 0 HD22 LEU A 115 11.002 -21.228 4.625 1.00 0.00 H new ATOM 0 HD23 LEU A 115 11.934 -19.754 4.980 1.00 0.00 H new ATOM 1776 N SER A 116 7.128 -18.723 6.392 1.00 0.00 N ATOM 1777 CA SER A 116 5.920 -18.079 6.898 1.00 0.00 C ATOM 1778 C SER A 116 5.643 -16.780 6.147 1.00 0.00 C ATOM 1779 O SER A 116 6.492 -16.282 5.409 1.00 0.00 O ATOM 1780 CB SER A 116 6.056 -17.798 8.395 1.00 0.00 C ATOM 1781 OG SER A 116 5.613 -18.904 9.164 1.00 0.00 O ATOM 0 H SER A 116 7.747 -18.105 5.867 1.00 0.00 H new ATOM 0 HA SER A 116 5.081 -18.757 6.738 1.00 0.00 H new ATOM 0 HB2 SER A 116 7.097 -17.578 8.634 1.00 0.00 H new ATOM 0 HB3 SER A 116 5.475 -16.913 8.656 1.00 0.00 H new ATOM 0 HG SER A 116 5.857 -19.737 8.709 1.00 0.00 H new ATOM 1787 N PHE A 117 4.447 -16.235 6.343 1.00 0.00 N ATOM 1788 CA PHE A 117 4.055 -14.994 5.685 1.00 0.00 C ATOM 1789 C PHE A 117 3.145 -14.165 6.587 1.00 0.00 C ATOM 1790 O PHE A 117 2.115 -14.646 7.061 1.00 0.00 O ATOM 1791 CB PHE A 117 3.345 -15.295 4.363 1.00 0.00 C ATOM 1792 CG PHE A 117 3.537 -14.228 3.324 1.00 0.00 C ATOM 1793 CD1 PHE A 117 3.338 -12.893 3.638 1.00 0.00 C ATOM 1794 CD2 PHE A 117 3.916 -14.559 2.033 1.00 0.00 C ATOM 1795 CE1 PHE A 117 3.512 -11.909 2.683 1.00 0.00 C ATOM 1796 CE2 PHE A 117 4.092 -13.580 1.074 1.00 0.00 C ATOM 1797 CZ PHE A 117 3.891 -12.252 1.400 1.00 0.00 C ATOM 0 H PHE A 117 3.732 -16.633 6.952 1.00 0.00 H new ATOM 0 HA PHE A 117 4.958 -14.418 5.481 1.00 0.00 H new ATOM 0 HB2 PHE A 117 3.712 -16.243 3.970 1.00 0.00 H new ATOM 0 HB3 PHE A 117 2.279 -15.419 4.552 1.00 0.00 H new ATOM 0 HD1 PHE A 117 3.044 -12.618 4.640 1.00 0.00 H new ATOM 0 HD2 PHE A 117 4.076 -15.595 1.773 1.00 0.00 H new ATOM 0 HE1 PHE A 117 3.352 -10.872 2.940 1.00 0.00 H new ATOM 0 HE2 PHE A 117 4.386 -13.852 0.071 1.00 0.00 H new ATOM 0 HZ PHE A 117 4.030 -11.484 0.653 1.00 0.00 H new ATOM 1807 N THR A 118 3.532 -12.914 6.820 1.00 0.00 N ATOM 1808 CA THR A 118 2.753 -12.018 7.664 1.00 0.00 C ATOM 1809 C THR A 118 2.714 -10.610 7.082 1.00 0.00 C ATOM 1810 O THR A 118 3.389 -10.318 6.094 1.00 0.00 O ATOM 1811 CB THR A 118 3.326 -11.954 9.093 1.00 0.00 C ATOM 1812 OG1 THR A 118 3.811 -13.244 9.484 1.00 0.00 O ATOM 1813 CG2 THR A 118 2.268 -11.485 10.080 1.00 0.00 C ATOM 0 H THR A 118 4.381 -12.499 6.435 1.00 0.00 H new ATOM 0 HA THR A 118 1.741 -12.420 7.703 1.00 0.00 H new ATOM 0 HB THR A 118 4.149 -11.239 9.099 1.00 0.00 H new ATOM 0 HG1 THR A 118 4.175 -13.195 10.393 1.00 0.00 H new ATOM 0 HG21 THR A 118 2.696 -11.448 11.082 1.00 0.00 H new ATOM 0 HG22 THR A 118 1.921 -10.491 9.797 1.00 0.00 H new ATOM 0 HG23 THR A 118 1.428 -12.179 10.070 1.00 0.00 H new ATOM 1821 N ILE A 119 1.921 -9.741 7.700 1.00 0.00 N ATOM 1822 CA ILE A 119 1.797 -8.362 7.244 1.00 0.00 C ATOM 1823 C ILE A 119 2.375 -7.390 8.266 1.00 0.00 C ATOM 1824 O ILE A 119 1.869 -7.272 9.382 1.00 0.00 O ATOM 1825 CB ILE A 119 0.327 -7.990 6.972 1.00 0.00 C ATOM 1826 CG1 ILE A 119 -0.244 -8.862 5.852 1.00 0.00 C ATOM 1827 CG2 ILE A 119 0.212 -6.516 6.614 1.00 0.00 C ATOM 1828 CD1 ILE A 119 0.662 -8.966 4.645 1.00 0.00 C ATOM 0 H ILE A 119 1.355 -9.968 8.518 1.00 0.00 H new ATOM 0 HA ILE A 119 2.361 -8.285 6.315 1.00 0.00 H new ATOM 0 HB ILE A 119 -0.252 -8.170 7.878 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -0.433 -9.862 6.242 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -1.206 -8.455 5.540 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -0.832 -6.268 6.425 1.00 0.00 H new ATOM 0 HG22 ILE A 119 0.585 -5.911 7.440 1.00 0.00 H new ATOM 0 HG23 ILE A 119 0.801 -6.312 5.720 1.00 0.00 H new ATOM 0 HD11 ILE A 119 0.193 -9.599 3.892 1.00 0.00 H new ATOM 0 HD12 ILE A 119 0.831 -7.972 4.230 1.00 0.00 H new ATOM 0 HD13 ILE A 119 1.616 -9.402 4.942 1.00 0.00 H new ATOM 1840 N LYS A 120 3.437 -6.693 7.877 1.00 0.00 N ATOM 1841 CA LYS A 120 4.084 -5.727 8.757 1.00 0.00 C ATOM 1842 C LYS A 120 3.282 -4.432 8.827 1.00 0.00 C ATOM 1843 O LYS A 120 2.642 -4.141 9.837 1.00 0.00 O ATOM 1844 CB LYS A 120 5.504 -5.434 8.270 1.00 0.00 C ATOM 1845 CG LYS A 120 6.177 -4.290 9.009 1.00 0.00 C ATOM 1846 CD LYS A 120 6.886 -4.776 10.262 1.00 0.00 C ATOM 1847 CE LYS A 120 7.805 -3.707 10.833 1.00 0.00 C ATOM 1848 NZ LYS A 120 8.099 -3.941 12.274 1.00 0.00 N ATOM 0 H LYS A 120 3.868 -6.779 6.957 1.00 0.00 H new ATOM 0 HA LYS A 120 4.131 -6.159 9.757 1.00 0.00 H new ATOM 0 HB2 LYS A 120 6.110 -6.333 8.381 1.00 0.00 H new ATOM 0 HB3 LYS A 120 5.473 -5.200 7.206 1.00 0.00 H new ATOM 0 HG2 LYS A 120 6.895 -3.802 8.350 1.00 0.00 H new ATOM 0 HG3 LYS A 120 5.432 -3.541 9.279 1.00 0.00 H new ATOM 0 HD2 LYS A 120 6.148 -5.061 11.012 1.00 0.00 H new ATOM 0 HD3 LYS A 120 7.466 -5.669 10.030 1.00 0.00 H new ATOM 0 HE2 LYS A 120 8.738 -3.691 10.270 1.00 0.00 H new ATOM 0 HE3 LYS A 120 7.343 -2.727 10.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 8.728 -3.191 12.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 7.211 -3.931 12.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 8.563 -4.865 12.388 1.00 0.00 H new ATOM 1862 N ASP A 121 3.319 -3.659 7.747 1.00 0.00 N ATOM 1863 CA ASP A 121 2.593 -2.396 7.685 1.00 0.00 C ATOM 1864 C ASP A 121 1.816 -2.279 6.378 1.00 0.00 C ATOM 1865 O ASP A 121 2.233 -2.806 5.346 1.00 0.00 O ATOM 1866 CB ASP A 121 3.560 -1.220 7.826 1.00 0.00 C ATOM 1867 CG ASP A 121 3.846 -0.874 9.274 1.00 0.00 C ATOM 1868 OD1 ASP A 121 3.060 -0.105 9.866 1.00 0.00 O ATOM 1869 OD2 ASP A 121 4.855 -1.373 9.815 1.00 0.00 O ATOM 0 H ASP A 121 3.844 -3.885 6.902 1.00 0.00 H new ATOM 0 HA ASP A 121 1.883 -2.373 8.511 1.00 0.00 H new ATOM 0 HB2 ASP A 121 4.496 -1.461 7.322 1.00 0.00 H new ATOM 0 HB3 ASP A 121 3.142 -0.348 7.323 1.00 0.00 H new ATOM 1874 N VAL A 122 0.683 -1.586 6.428 1.00 0.00 N ATOM 1875 CA VAL A 122 -0.153 -1.399 5.247 1.00 0.00 C ATOM 1876 C VAL A 122 -0.769 -0.006 5.226 1.00 0.00 C ATOM 1877 O VAL A 122 -1.708 0.281 5.969 1.00 0.00 O ATOM 1878 CB VAL A 122 -1.278 -2.448 5.186 1.00 0.00 C ATOM 1879 CG1 VAL A 122 -2.345 -2.029 4.185 1.00 0.00 C ATOM 1880 CG2 VAL A 122 -0.714 -3.816 4.834 1.00 0.00 C ATOM 0 H VAL A 122 0.322 -1.144 7.274 1.00 0.00 H new ATOM 0 HA VAL A 122 0.493 -1.520 4.378 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.742 -2.514 6.170 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -3.132 -2.783 4.155 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -2.770 -1.072 4.486 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.898 -1.932 3.196 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.524 -4.545 4.795 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.223 -3.768 3.862 1.00 0.00 H new ATOM 0 HG23 VAL A 122 0.009 -4.117 5.592 1.00 0.00 H new ATOM 1890 N TYR A 123 -0.236 0.858 4.368 1.00 0.00 N ATOM 1891 CA TYR A 123 -0.733 2.224 4.249 1.00 0.00 C ATOM 1892 C TYR A 123 -1.066 2.558 2.799 1.00 0.00 C ATOM 1893 O TYR A 123 -0.746 1.798 1.885 1.00 0.00 O ATOM 1894 CB TYR A 123 0.301 3.213 4.789 1.00 0.00 C ATOM 1895 CG TYR A 123 1.719 2.895 4.371 1.00 0.00 C ATOM 1896 CD1 TYR A 123 2.374 1.772 4.861 1.00 0.00 C ATOM 1897 CD2 TYR A 123 2.405 3.718 3.485 1.00 0.00 C ATOM 1898 CE1 TYR A 123 3.669 1.478 4.482 1.00 0.00 C ATOM 1899 CE2 TYR A 123 3.700 3.432 3.100 1.00 0.00 C ATOM 1900 CZ TYR A 123 4.327 2.310 3.602 1.00 0.00 C ATOM 1901 OH TYR A 123 5.618 2.022 3.221 1.00 0.00 O ATOM 0 H TYR A 123 0.540 0.636 3.745 1.00 0.00 H new ATOM 0 HA TYR A 123 -1.646 2.305 4.839 1.00 0.00 H new ATOM 0 HB2 TYR A 123 0.046 4.216 4.446 1.00 0.00 H new ATOM 0 HB3 TYR A 123 0.246 3.225 5.878 1.00 0.00 H new ATOM 0 HD1 TYR A 123 1.861 1.117 5.550 1.00 0.00 H new ATOM 0 HD2 TYR A 123 1.916 4.597 3.091 1.00 0.00 H new ATOM 0 HE1 TYR A 123 4.163 0.601 4.873 1.00 0.00 H new ATOM 0 HE2 TYR A 123 4.218 4.082 2.411 1.00 0.00 H new ATOM 0 HH TYR A 123 5.935 2.707 2.596 1.00 0.00 H new ATOM 1911 N ASP A 124 -1.709 3.702 2.596 1.00 0.00 N ATOM 1912 CA ASP A 124 -2.085 4.141 1.257 1.00 0.00 C ATOM 1913 C ASP A 124 -1.284 5.372 0.843 1.00 0.00 C ATOM 1914 O ASP A 124 -1.334 6.409 1.505 1.00 0.00 O ATOM 1915 CB ASP A 124 -3.583 4.448 1.198 1.00 0.00 C ATOM 1916 CG ASP A 124 -3.988 5.539 2.170 1.00 0.00 C ATOM 1917 OD1 ASP A 124 -3.246 5.768 3.148 1.00 0.00 O ATOM 1918 OD2 ASP A 124 -5.045 6.165 1.950 1.00 0.00 O ATOM 0 H ASP A 124 -1.981 4.343 3.342 1.00 0.00 H new ATOM 0 HA ASP A 124 -1.861 3.333 0.561 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -3.850 4.750 0.185 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -4.146 3.541 1.419 1.00 0.00 H new