USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 661 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 36 HIS : no HD1:sc= -5.05! C(o=-4.9!,f=-5.5!) USER MOD Set 1.2: A 50 SER OG : rot -113:sc= 0.243 USER MOD Set 1.3: A 51 LYS NZ :NH3+ -131:sc= -0.0579 (180deg=-0.119) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.318 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.85 K(o=-0.85,f=-0.015) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 174:sc= -0.831 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.0498 K(o=-0.05,f=-1.6!) USER MOD Single : A 46 LYS NZ :NH3+ 139:sc= -0.0846 (180deg=-0.723) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0803 K(o=-0.08,f=-1.3!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.0562 X(o=-0.056,f=-0.23) USER MOD Single : A 77 MET CE :methyl -165:sc= -1.15 (180deg=-1.55) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.0134 X(o=-0.013,f=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 164 N LEU A 14 9.944 29.711 -8.366 1.00 0.00 N ATOM 165 CA LEU A 14 8.778 28.908 -8.016 1.00 0.00 C ATOM 166 C LEU A 14 9.143 27.430 -7.920 1.00 0.00 C ATOM 167 O LEU A 14 10.242 27.025 -8.299 1.00 0.00 O ATOM 168 CB LEU A 14 7.669 29.105 -9.051 1.00 0.00 C ATOM 169 CG LEU A 14 7.785 28.269 -10.326 1.00 0.00 C ATOM 170 CD1 LEU A 14 6.954 27.001 -10.211 1.00 0.00 C ATOM 171 CD2 LEU A 14 7.356 29.082 -11.539 1.00 0.00 C ATOM 0 HA LEU A 14 8.420 29.239 -7.041 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.713 28.879 -8.578 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.644 30.158 -9.332 1.00 0.00 H new ATOM 0 HG LEU A 14 8.829 27.984 -10.456 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.049 26.419 -11.128 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.308 26.409 -9.367 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.908 27.264 -10.055 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.445 28.471 -12.437 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.320 29.398 -11.417 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.995 29.960 -11.633 1.00 0.00 H new ATOM 183 N LYS A 15 8.213 26.628 -7.412 1.00 0.00 N ATOM 184 CA LYS A 15 8.434 25.194 -7.269 1.00 0.00 C ATOM 185 C LYS A 15 7.151 24.416 -7.543 1.00 0.00 C ATOM 186 O LYS A 15 6.061 24.987 -7.569 1.00 0.00 O ATOM 187 CB LYS A 15 8.946 24.874 -5.862 1.00 0.00 C ATOM 188 CG LYS A 15 10.205 25.637 -5.485 1.00 0.00 C ATOM 189 CD LYS A 15 10.638 25.329 -4.062 1.00 0.00 C ATOM 190 CE LYS A 15 9.761 26.044 -3.045 1.00 0.00 C ATOM 191 NZ LYS A 15 9.823 25.397 -1.706 1.00 0.00 N ATOM 0 H LYS A 15 7.299 26.947 -7.092 1.00 0.00 H new ATOM 0 HA LYS A 15 9.184 24.893 -8.000 1.00 0.00 H new ATOM 0 HB2 LYS A 15 8.163 25.102 -5.139 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.144 23.805 -5.791 1.00 0.00 H new ATOM 0 HG2 LYS A 15 11.008 25.379 -6.175 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.028 26.707 -5.589 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.592 24.253 -3.891 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.677 25.630 -3.924 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.077 27.084 -2.961 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.729 26.052 -3.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.212 25.914 -1.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.498 24.412 -1.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.803 25.412 -1.358 1.00 0.00 H new ATOM 205 N TYR A 16 7.289 23.110 -7.745 1.00 0.00 N ATOM 206 CA TYR A 16 6.140 22.254 -8.018 1.00 0.00 C ATOM 207 C TYR A 16 6.417 20.817 -7.585 1.00 0.00 C ATOM 208 O TYR A 16 7.547 20.338 -7.674 1.00 0.00 O ATOM 209 CB TYR A 16 5.792 22.292 -9.507 1.00 0.00 C ATOM 210 CG TYR A 16 6.992 22.134 -10.414 1.00 0.00 C ATOM 211 CD1 TYR A 16 7.566 20.887 -10.630 1.00 0.00 C ATOM 212 CD2 TYR A 16 7.551 23.233 -11.056 1.00 0.00 C ATOM 213 CE1 TYR A 16 8.663 20.739 -11.456 1.00 0.00 C ATOM 214 CE2 TYR A 16 8.647 23.094 -11.885 1.00 0.00 C ATOM 215 CZ TYR A 16 9.199 21.845 -12.082 1.00 0.00 C ATOM 216 OH TYR A 16 10.291 21.701 -12.908 1.00 0.00 O ATOM 0 H TYR A 16 8.184 22.621 -7.725 1.00 0.00 H new ATOM 0 HA TYR A 16 5.293 22.631 -7.444 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.076 21.499 -9.724 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.299 23.238 -9.732 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.147 20.019 -10.144 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.121 24.212 -10.904 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.099 19.763 -11.611 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.069 23.958 -12.376 1.00 0.00 H new ATOM 0 HH TYR A 16 10.544 22.575 -13.271 1.00 0.00 H new ATOM 226 N GLU A 17 5.375 20.136 -7.118 1.00 0.00 N ATOM 227 CA GLU A 17 5.505 18.754 -6.671 1.00 0.00 C ATOM 228 C GLU A 17 4.368 17.897 -7.217 1.00 0.00 C ATOM 229 O GLU A 17 3.196 18.144 -6.930 1.00 0.00 O ATOM 230 CB GLU A 17 5.520 18.689 -5.142 1.00 0.00 C ATOM 231 CG GLU A 17 6.061 17.379 -4.595 1.00 0.00 C ATOM 232 CD GLU A 17 5.819 17.225 -3.106 1.00 0.00 C ATOM 233 OE1 GLU A 17 6.640 17.733 -2.314 1.00 0.00 O ATOM 234 OE2 GLU A 17 4.807 16.595 -2.732 1.00 0.00 O ATOM 0 H GLU A 17 4.433 20.518 -7.039 1.00 0.00 H new ATOM 0 HA GLU A 17 6.448 18.362 -7.053 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.124 19.511 -4.758 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.506 18.837 -4.770 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.593 16.548 -5.123 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.131 17.321 -4.793 1.00 0.00 H new ATOM 241 N ASP A 18 4.722 16.888 -8.007 1.00 0.00 N ATOM 242 CA ASP A 18 3.732 15.993 -8.593 1.00 0.00 C ATOM 243 C ASP A 18 2.839 15.388 -7.515 1.00 0.00 C ATOM 244 O ASP A 18 3.318 14.974 -6.457 1.00 0.00 O ATOM 245 CB ASP A 18 4.424 14.881 -9.383 1.00 0.00 C ATOM 246 CG ASP A 18 5.499 14.180 -8.576 1.00 0.00 C ATOM 247 OD1 ASP A 18 6.573 14.782 -8.369 1.00 0.00 O ATOM 248 OD2 ASP A 18 5.265 13.029 -8.151 1.00 0.00 O ATOM 0 H ASP A 18 5.687 16.670 -8.256 1.00 0.00 H new ATOM 0 HA ASP A 18 3.108 16.576 -9.270 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.681 14.151 -9.704 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.868 15.302 -10.285 1.00 0.00 H new ATOM 253 N LEU A 19 1.540 15.339 -7.787 1.00 0.00 N ATOM 254 CA LEU A 19 0.579 14.785 -6.840 1.00 0.00 C ATOM 255 C LEU A 19 -0.232 13.663 -7.479 1.00 0.00 C ATOM 256 O LEU A 19 -0.564 12.672 -6.827 1.00 0.00 O ATOM 257 CB LEU A 19 -0.359 15.883 -6.334 1.00 0.00 C ATOM 258 CG LEU A 19 -0.105 16.378 -4.909 1.00 0.00 C ATOM 259 CD1 LEU A 19 1.298 16.952 -4.786 1.00 0.00 C ATOM 260 CD2 LEU A 19 -1.145 17.416 -4.513 1.00 0.00 C ATOM 0 H LEU A 19 1.127 15.677 -8.657 1.00 0.00 H new ATOM 0 HA LEU A 19 1.134 14.372 -5.998 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.288 16.734 -7.011 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.383 15.514 -6.392 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.189 15.530 -4.229 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.461 17.299 -3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.029 16.181 -5.028 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.411 17.788 -5.476 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.950 17.757 -3.496 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.092 18.263 -5.197 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.139 16.972 -4.562 1.00 0.00 H new ATOM 272 N THR A 20 -0.546 13.823 -8.761 1.00 0.00 N ATOM 273 CA THR A 20 -1.316 12.823 -9.490 1.00 0.00 C ATOM 274 C THR A 20 -0.891 12.760 -10.953 1.00 0.00 C ATOM 275 O THR A 20 -1.068 13.721 -11.701 1.00 0.00 O ATOM 276 CB THR A 20 -2.827 13.116 -9.418 1.00 0.00 C ATOM 277 OG1 THR A 20 -3.204 13.416 -8.070 1.00 0.00 O ATOM 278 CG2 THR A 20 -3.633 11.930 -9.924 1.00 0.00 C ATOM 0 H THR A 20 -0.279 14.636 -9.316 1.00 0.00 H new ATOM 0 HA THR A 20 -1.116 11.862 -9.015 1.00 0.00 H new ATOM 0 HB THR A 20 -3.039 13.976 -10.054 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.165 13.603 -8.033 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.697 12.161 -9.863 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.365 11.723 -10.960 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.416 11.055 -9.312 1.00 0.00 H new ATOM 286 N GLU A 21 -0.332 11.623 -11.353 1.00 0.00 N ATOM 287 CA GLU A 21 0.118 11.436 -12.727 1.00 0.00 C ATOM 288 C GLU A 21 -1.046 11.571 -13.704 1.00 0.00 C ATOM 289 O GLU A 21 -2.035 10.845 -13.612 1.00 0.00 O ATOM 290 CB GLU A 21 0.778 10.065 -12.890 1.00 0.00 C ATOM 291 CG GLU A 21 1.447 9.868 -14.240 1.00 0.00 C ATOM 292 CD GLU A 21 1.507 8.410 -14.653 1.00 0.00 C ATOM 293 OE1 GLU A 21 0.440 7.837 -14.960 1.00 0.00 O ATOM 294 OE2 GLU A 21 2.619 7.842 -14.669 1.00 0.00 O ATOM 0 H GLU A 21 -0.180 10.818 -10.746 1.00 0.00 H new ATOM 0 HA GLU A 21 0.850 12.212 -12.951 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.521 9.933 -12.103 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.025 9.290 -12.751 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.904 10.434 -14.997 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.458 10.273 -14.203 1.00 0.00 H new ATOM 301 N GLY A 22 -0.921 12.508 -14.640 1.00 0.00 N ATOM 302 CA GLY A 22 -1.969 12.722 -15.620 1.00 0.00 C ATOM 303 C GLY A 22 -1.592 12.208 -16.995 1.00 0.00 C ATOM 304 O GLY A 22 -0.524 12.531 -17.514 1.00 0.00 O ATOM 0 H GLY A 22 -0.112 13.122 -14.736 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.880 12.225 -15.287 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.192 13.787 -15.682 1.00 0.00 H new ATOM 308 N SER A 23 -2.470 11.404 -17.586 1.00 0.00 N ATOM 309 CA SER A 23 -2.220 10.839 -18.907 1.00 0.00 C ATOM 310 C SER A 23 -3.143 11.465 -19.949 1.00 0.00 C ATOM 311 O SER A 23 -3.653 10.781 -20.835 1.00 0.00 O ATOM 312 CB SER A 23 -2.416 9.322 -18.882 1.00 0.00 C ATOM 313 OG SER A 23 -1.460 8.699 -18.042 1.00 0.00 O ATOM 0 H SER A 23 -3.360 11.129 -17.171 1.00 0.00 H new ATOM 0 HA SER A 23 -1.188 11.060 -19.180 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.421 9.088 -18.531 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.331 8.924 -19.893 1.00 0.00 H new ATOM 0 HG SER A 23 -1.607 7.730 -18.041 1.00 0.00 H new ATOM 319 N GLY A 24 -3.354 12.773 -19.834 1.00 0.00 N ATOM 320 CA GLY A 24 -4.215 13.471 -20.771 1.00 0.00 C ATOM 321 C GLY A 24 -3.444 14.406 -21.681 1.00 0.00 C ATOM 322 O GLY A 24 -2.315 14.112 -22.072 1.00 0.00 O ATOM 0 H GLY A 24 -2.944 13.361 -19.109 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.754 12.742 -21.376 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.962 14.041 -20.218 1.00 0.00 H new ATOM 326 N ALA A 25 -4.056 15.536 -22.021 1.00 0.00 N ATOM 327 CA ALA A 25 -3.420 16.517 -22.891 1.00 0.00 C ATOM 328 C ALA A 25 -2.753 17.622 -22.077 1.00 0.00 C ATOM 329 O ALA A 25 -3.301 18.085 -21.078 1.00 0.00 O ATOM 330 CB ALA A 25 -4.439 17.110 -23.852 1.00 0.00 C ATOM 0 H ALA A 25 -4.991 15.794 -21.707 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.647 16.008 -23.467 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.950 17.841 -24.496 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.867 16.316 -24.464 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.232 17.598 -23.286 1.00 0.00 H new ATOM 336 N GLU A 26 -1.568 18.038 -22.512 1.00 0.00 N ATOM 337 CA GLU A 26 -0.827 19.087 -21.822 1.00 0.00 C ATOM 338 C GLU A 26 -1.322 20.468 -22.240 1.00 0.00 C ATOM 339 O GLU A 26 -1.535 20.731 -23.423 1.00 0.00 O ATOM 340 CB GLU A 26 0.670 18.960 -22.112 1.00 0.00 C ATOM 341 CG GLU A 26 1.483 20.157 -21.650 1.00 0.00 C ATOM 342 CD GLU A 26 1.864 21.080 -22.791 1.00 0.00 C ATOM 343 OE1 GLU A 26 1.100 21.149 -23.777 1.00 0.00 O ATOM 344 OE2 GLU A 26 2.924 21.733 -22.699 1.00 0.00 O ATOM 0 H GLU A 26 -1.101 17.665 -23.338 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.993 18.969 -20.751 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.051 18.063 -21.625 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.814 18.826 -23.184 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.910 20.717 -20.911 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.388 19.807 -21.153 1.00 0.00 H new ATOM 351 N ALA A 27 -1.504 21.347 -21.260 1.00 0.00 N ATOM 352 CA ALA A 27 -1.973 22.701 -21.525 1.00 0.00 C ATOM 353 C ALA A 27 -1.000 23.452 -22.428 1.00 0.00 C ATOM 354 O ALA A 27 0.158 23.665 -22.067 1.00 0.00 O ATOM 355 CB ALA A 27 -2.173 23.456 -20.219 1.00 0.00 C ATOM 0 H ALA A 27 -1.334 21.145 -20.275 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.930 22.632 -22.043 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.523 24.466 -20.432 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.912 22.937 -19.608 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.227 23.507 -19.680 1.00 0.00 H new ATOM 361 N ARG A 28 -1.477 23.849 -23.603 1.00 0.00 N ATOM 362 CA ARG A 28 -0.648 24.574 -24.559 1.00 0.00 C ATOM 363 C ARG A 28 -0.793 26.081 -24.371 1.00 0.00 C ATOM 364 O ARG A 28 -1.817 26.560 -23.884 1.00 0.00 O ATOM 365 CB ARG A 28 -1.026 24.189 -25.990 1.00 0.00 C ATOM 366 CG ARG A 28 -0.255 22.992 -26.523 1.00 0.00 C ATOM 367 CD ARG A 28 1.231 23.296 -26.643 1.00 0.00 C ATOM 368 NE ARG A 28 1.633 23.521 -28.029 1.00 0.00 N ATOM 369 CZ ARG A 28 2.874 23.822 -28.395 1.00 0.00 C ATOM 370 NH1 ARG A 28 3.829 23.933 -27.482 1.00 0.00 N ATOM 371 NH2 ARG A 28 3.162 24.013 -29.676 1.00 0.00 N ATOM 0 H ARG A 28 -2.433 23.681 -23.916 1.00 0.00 H new ATOM 0 HA ARG A 28 0.392 24.301 -24.380 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.093 23.969 -26.028 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.853 25.043 -26.645 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.401 22.139 -25.860 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.650 22.708 -27.499 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.470 24.178 -26.048 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.805 22.467 -26.229 1.00 0.00 H new ATOM 0 HE ARG A 28 0.922 23.443 -28.756 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.612 23.787 -26.496 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.781 24.164 -27.765 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.430 23.929 -30.381 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.115 24.244 -29.955 1.00 0.00 H new ATOM 385 N ALA A 29 0.238 26.823 -24.760 1.00 0.00 N ATOM 386 CA ALA A 29 0.225 28.275 -24.636 1.00 0.00 C ATOM 387 C ALA A 29 -0.763 28.901 -25.615 1.00 0.00 C ATOM 388 O ALA A 29 -0.798 28.540 -26.791 1.00 0.00 O ATOM 389 CB ALA A 29 1.621 28.837 -24.860 1.00 0.00 C ATOM 0 H ALA A 29 1.094 26.442 -25.164 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.097 28.525 -23.625 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.596 29.923 -24.764 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.303 28.423 -24.118 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.965 28.569 -25.859 1.00 0.00 H new ATOM 395 N GLY A 30 -1.564 29.840 -25.122 1.00 0.00 N ATOM 396 CA GLY A 30 -2.542 30.500 -25.968 1.00 0.00 C ATOM 397 C GLY A 30 -3.835 29.716 -26.080 1.00 0.00 C ATOM 398 O GLY A 30 -4.746 30.111 -26.807 1.00 0.00 O ATOM 0 H GLY A 30 -1.554 30.156 -24.152 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.755 31.491 -25.567 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.120 30.643 -26.963 1.00 0.00 H new ATOM 402 N GLN A 31 -3.913 28.602 -25.360 1.00 0.00 N ATOM 403 CA GLN A 31 -5.104 27.759 -25.384 1.00 0.00 C ATOM 404 C GLN A 31 -5.843 27.824 -24.052 1.00 0.00 C ATOM 405 O GLN A 31 -5.226 27.853 -22.987 1.00 0.00 O ATOM 406 CB GLN A 31 -4.723 26.312 -25.701 1.00 0.00 C ATOM 407 CG GLN A 31 -5.847 25.515 -26.344 1.00 0.00 C ATOM 408 CD GLN A 31 -5.352 24.253 -27.023 1.00 0.00 C ATOM 409 OE1 GLN A 31 -4.585 24.312 -27.985 1.00 0.00 O ATOM 410 NE2 GLN A 31 -5.789 23.102 -26.526 1.00 0.00 N ATOM 0 H GLN A 31 -3.167 28.262 -24.753 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.768 28.131 -26.164 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.860 26.310 -26.367 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.417 25.815 -24.780 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.581 25.250 -25.583 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.358 26.140 -27.076 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.424 23.099 -25.728 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.490 22.220 -26.943 1.00 0.00 H new ATOM 419 N THR A 32 -7.171 27.847 -24.119 1.00 0.00 N ATOM 420 CA THR A 32 -7.995 27.909 -22.919 1.00 0.00 C ATOM 421 C THR A 32 -8.196 26.524 -22.316 1.00 0.00 C ATOM 422 O THR A 32 -8.507 25.566 -23.025 1.00 0.00 O ATOM 423 CB THR A 32 -9.373 28.532 -23.215 1.00 0.00 C ATOM 424 OG1 THR A 32 -9.264 29.475 -24.287 1.00 0.00 O ATOM 425 CG2 THR A 32 -9.931 29.223 -21.980 1.00 0.00 C ATOM 0 H THR A 32 -7.698 27.824 -24.992 1.00 0.00 H new ATOM 0 HA THR A 32 -7.465 28.539 -22.205 1.00 0.00 H new ATOM 0 HB THR A 32 -10.055 27.732 -23.503 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.144 29.865 -24.470 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.904 29.655 -22.213 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.040 28.497 -21.175 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.249 30.013 -21.666 1.00 0.00 H new ATOM 433 N VAL A 33 -8.017 26.423 -21.003 1.00 0.00 N ATOM 434 CA VAL A 33 -8.180 25.153 -20.304 1.00 0.00 C ATOM 435 C VAL A 33 -8.858 25.353 -18.953 1.00 0.00 C ATOM 436 O VAL A 33 -8.774 26.427 -18.358 1.00 0.00 O ATOM 437 CB VAL A 33 -6.825 24.453 -20.088 1.00 0.00 C ATOM 438 CG1 VAL A 33 -6.082 24.308 -21.408 1.00 0.00 C ATOM 439 CG2 VAL A 33 -5.986 25.218 -19.076 1.00 0.00 C ATOM 0 H VAL A 33 -7.759 27.205 -20.401 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.809 24.523 -20.933 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.011 23.455 -19.692 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.127 23.811 -21.235 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.680 23.714 -22.099 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.906 25.295 -21.836 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.032 24.709 -18.936 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.808 26.229 -19.441 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.516 25.264 -18.125 1.00 0.00 H new ATOM 449 N SER A 34 -9.529 24.310 -18.475 1.00 0.00 N ATOM 450 CA SER A 34 -10.224 24.371 -17.194 1.00 0.00 C ATOM 451 C SER A 34 -9.508 23.526 -16.146 1.00 0.00 C ATOM 452 O SER A 34 -9.245 22.342 -16.360 1.00 0.00 O ATOM 453 CB SER A 34 -11.669 23.892 -17.352 1.00 0.00 C ATOM 454 OG SER A 34 -12.070 23.918 -18.711 1.00 0.00 O ATOM 0 H SER A 34 -9.606 23.413 -18.955 1.00 0.00 H new ATOM 0 HA SER A 34 -10.226 25.408 -16.858 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.764 22.879 -16.961 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.332 24.525 -16.762 1.00 0.00 H new ATOM 0 HG SER A 34 -12.996 23.606 -18.785 1.00 0.00 H new ATOM 460 N VAL A 35 -9.193 24.142 -15.011 1.00 0.00 N ATOM 461 CA VAL A 35 -8.508 23.448 -13.928 1.00 0.00 C ATOM 462 C VAL A 35 -9.005 23.925 -12.568 1.00 0.00 C ATOM 463 O VAL A 35 -9.743 24.907 -12.474 1.00 0.00 O ATOM 464 CB VAL A 35 -6.984 23.653 -14.006 1.00 0.00 C ATOM 465 CG1 VAL A 35 -6.486 23.423 -15.424 1.00 0.00 C ATOM 466 CG2 VAL A 35 -6.608 25.044 -13.519 1.00 0.00 C ATOM 0 H VAL A 35 -9.402 25.122 -14.818 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.731 22.387 -14.041 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.503 22.923 -13.355 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.407 23.572 -15.459 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.722 22.404 -15.732 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.972 24.127 -16.099 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.527 25.171 -13.581 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.098 25.792 -14.142 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.929 25.166 -12.485 1.00 0.00 H new ATOM 476 N HIS A 36 -8.596 23.225 -11.515 1.00 0.00 N ATOM 477 CA HIS A 36 -8.999 23.578 -10.158 1.00 0.00 C ATOM 478 C HIS A 36 -7.803 24.067 -9.347 1.00 0.00 C ATOM 479 O HIS A 36 -6.746 23.436 -9.337 1.00 0.00 O ATOM 480 CB HIS A 36 -9.642 22.376 -9.466 1.00 0.00 C ATOM 481 CG HIS A 36 -11.131 22.322 -9.621 1.00 0.00 C ATOM 482 ND1 HIS A 36 -11.930 23.445 -9.613 1.00 0.00 N ATOM 483 CD2 HIS A 36 -11.966 21.270 -9.791 1.00 0.00 C ATOM 484 CE1 HIS A 36 -13.192 23.087 -9.769 1.00 0.00 C ATOM 485 NE2 HIS A 36 -13.241 21.772 -9.880 1.00 0.00 N ATOM 0 H HIS A 36 -7.986 22.410 -11.575 1.00 0.00 H new ATOM 0 HA HIS A 36 -9.729 24.385 -10.220 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -9.209 21.461 -9.870 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -9.396 22.404 -8.404 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -11.682 20.229 -9.846 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -14.039 23.756 -9.800 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -14.088 21.219 -10.011 1.00 0.00 H new ATOM 493 N TYR A 37 -7.978 25.196 -8.668 1.00 0.00 N ATOM 494 CA TYR A 37 -6.912 25.771 -7.856 1.00 0.00 C ATOM 495 C TYR A 37 -7.296 25.778 -6.379 1.00 0.00 C ATOM 496 O TYR A 37 -8.443 26.050 -6.024 1.00 0.00 O ATOM 497 CB TYR A 37 -6.602 27.196 -8.320 1.00 0.00 C ATOM 498 CG TYR A 37 -7.741 28.166 -8.101 1.00 0.00 C ATOM 499 CD1 TYR A 37 -7.941 28.765 -6.864 1.00 0.00 C ATOM 500 CD2 TYR A 37 -8.617 28.483 -9.132 1.00 0.00 C ATOM 501 CE1 TYR A 37 -8.980 29.652 -6.659 1.00 0.00 C ATOM 502 CE2 TYR A 37 -9.658 29.370 -8.937 1.00 0.00 C ATOM 503 CZ TYR A 37 -9.836 29.951 -7.698 1.00 0.00 C ATOM 504 OH TYR A 37 -10.872 30.834 -7.499 1.00 0.00 O ATOM 0 H TYR A 37 -8.847 25.730 -8.664 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.022 25.153 -7.979 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.721 27.558 -7.790 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -6.351 27.177 -9.381 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -7.272 28.533 -6.048 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -8.482 28.028 -10.102 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -9.121 30.109 -5.691 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -10.329 29.607 -9.750 1.00 0.00 H new ATOM 0 HH TYR A 37 -11.380 30.936 -8.331 1.00 0.00 H new ATOM 514 N THR A 38 -6.326 25.477 -5.521 1.00 0.00 N ATOM 515 CA THR A 38 -6.560 25.447 -4.083 1.00 0.00 C ATOM 516 C THR A 38 -5.454 26.179 -3.331 1.00 0.00 C ATOM 517 O THR A 38 -4.300 25.752 -3.334 1.00 0.00 O ATOM 518 CB THR A 38 -6.652 24.002 -3.559 1.00 0.00 C ATOM 519 OG1 THR A 38 -6.417 23.077 -4.627 1.00 0.00 O ATOM 520 CG2 THR A 38 -8.017 23.736 -2.942 1.00 0.00 C ATOM 0 H THR A 38 -5.371 25.251 -5.798 1.00 0.00 H new ATOM 0 HA THR A 38 -7.510 25.951 -3.907 1.00 0.00 H new ATOM 0 HB THR A 38 -5.891 23.869 -2.790 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.381 22.166 -4.269 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.058 22.709 -2.579 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.180 24.422 -2.111 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.792 23.886 -3.694 1.00 0.00 H new ATOM 528 N GLY A 39 -5.814 27.284 -2.686 1.00 0.00 N ATOM 529 CA GLY A 39 -4.840 28.057 -1.937 1.00 0.00 C ATOM 530 C GLY A 39 -4.672 27.558 -0.516 1.00 0.00 C ATOM 531 O GLY A 39 -5.650 27.399 0.213 1.00 0.00 O ATOM 0 H GLY A 39 -6.763 27.658 -2.669 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.878 28.017 -2.449 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.148 29.102 -1.918 1.00 0.00 H new ATOM 535 N TRP A 40 -3.428 27.308 -0.123 1.00 0.00 N ATOM 536 CA TRP A 40 -3.135 26.821 1.220 1.00 0.00 C ATOM 537 C TRP A 40 -2.012 27.630 1.859 1.00 0.00 C ATOM 538 O TRP A 40 -1.002 27.924 1.218 1.00 0.00 O ATOM 539 CB TRP A 40 -2.753 25.341 1.176 1.00 0.00 C ATOM 540 CG TRP A 40 -3.927 24.430 0.982 1.00 0.00 C ATOM 541 CD1 TRP A 40 -5.138 24.510 1.608 1.00 0.00 C ATOM 542 CD2 TRP A 40 -4.000 23.301 0.105 1.00 0.00 C ATOM 543 NE1 TRP A 40 -5.960 23.498 1.172 1.00 0.00 N ATOM 544 CE2 TRP A 40 -5.286 22.744 0.249 1.00 0.00 C ATOM 545 CE3 TRP A 40 -3.105 22.708 -0.790 1.00 0.00 C ATOM 546 CZ2 TRP A 40 -5.695 21.622 -0.467 1.00 0.00 C ATOM 547 CZ3 TRP A 40 -3.513 21.595 -1.500 1.00 0.00 C ATOM 548 CH2 TRP A 40 -4.799 21.062 -1.336 1.00 0.00 C ATOM 0 H TRP A 40 -2.607 27.434 -0.715 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.033 26.939 1.826 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -2.040 25.181 0.367 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -2.246 25.076 2.104 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.410 25.258 2.338 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -6.917 23.335 1.485 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.113 23.112 -0.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -6.685 21.208 -0.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.829 21.128 -2.193 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -5.088 20.192 -1.907 1.00 0.00 H new ATOM 559 N LEU A 41 -2.192 27.988 3.126 1.00 0.00 N ATOM 560 CA LEU A 41 -1.193 28.763 3.852 1.00 0.00 C ATOM 561 C LEU A 41 -0.022 27.882 4.276 1.00 0.00 C ATOM 562 O LEU A 41 -0.064 26.660 4.126 1.00 0.00 O ATOM 563 CB LEU A 41 -1.823 29.420 5.082 1.00 0.00 C ATOM 564 CG LEU A 41 -2.261 30.876 4.914 1.00 0.00 C ATOM 565 CD1 LEU A 41 -2.913 31.387 6.190 1.00 0.00 C ATOM 566 CD2 LEU A 41 -1.075 31.749 4.532 1.00 0.00 C ATOM 0 H LEU A 41 -3.021 27.753 3.672 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.817 29.539 3.185 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.692 28.832 5.379 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.108 29.369 5.903 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.996 30.925 4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.218 32.424 6.052 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.788 30.779 6.420 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.201 31.325 7.013 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.405 32.781 4.417 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.317 31.696 5.314 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.652 31.396 3.592 1.00 0.00 H new ATOM 578 N THR A 42 1.022 28.509 4.810 1.00 0.00 N ATOM 579 CA THR A 42 2.203 27.783 5.257 1.00 0.00 C ATOM 580 C THR A 42 1.848 26.765 6.334 1.00 0.00 C ATOM 581 O THR A 42 2.406 25.668 6.373 1.00 0.00 O ATOM 582 CB THR A 42 3.277 28.741 5.806 1.00 0.00 C ATOM 583 OG1 THR A 42 2.798 29.385 6.992 1.00 0.00 O ATOM 584 CG2 THR A 42 3.649 29.789 4.769 1.00 0.00 C ATOM 0 H THR A 42 1.073 29.519 4.943 1.00 0.00 H new ATOM 0 HA THR A 42 2.602 27.262 4.386 1.00 0.00 H new ATOM 0 HB THR A 42 4.166 28.157 6.043 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.487 29.991 7.336 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.409 30.454 5.180 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.040 29.297 3.879 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.765 30.369 4.504 1.00 0.00 H new ATOM 592 N ASP A 43 0.916 27.134 7.206 1.00 0.00 N ATOM 593 CA ASP A 43 0.485 26.251 8.283 1.00 0.00 C ATOM 594 C ASP A 43 -0.538 25.237 7.779 1.00 0.00 C ATOM 595 O ASP A 43 -0.751 24.195 8.397 1.00 0.00 O ATOM 596 CB ASP A 43 -0.111 27.066 9.432 1.00 0.00 C ATOM 597 CG ASP A 43 0.762 28.243 9.821 1.00 0.00 C ATOM 598 OD1 ASP A 43 1.995 28.063 9.907 1.00 0.00 O ATOM 599 OD2 ASP A 43 0.213 29.343 10.038 1.00 0.00 O ATOM 0 H ASP A 43 0.445 28.038 7.188 1.00 0.00 H new ATOM 0 HA ASP A 43 1.358 25.709 8.646 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.097 27.429 9.143 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.251 26.419 10.298 1.00 0.00 H new ATOM 604 N GLY A 44 -1.168 25.551 6.651 1.00 0.00 N ATOM 605 CA GLY A 44 -2.162 24.658 6.083 1.00 0.00 C ATOM 606 C GLY A 44 -3.542 25.283 6.032 1.00 0.00 C ATOM 607 O GLY A 44 -4.515 24.623 5.671 1.00 0.00 O ATOM 0 H GLY A 44 -1.008 26.407 6.120 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.858 24.374 5.075 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -2.203 23.743 6.673 1.00 0.00 H new ATOM 611 N GLN A 45 -3.626 26.559 6.397 1.00 0.00 N ATOM 612 CA GLN A 45 -4.898 27.272 6.393 1.00 0.00 C ATOM 613 C GLN A 45 -5.322 27.621 4.970 1.00 0.00 C ATOM 614 O GLN A 45 -4.703 28.459 4.314 1.00 0.00 O ATOM 615 CB GLN A 45 -4.795 28.545 7.234 1.00 0.00 C ATOM 616 CG GLN A 45 -6.043 28.836 8.052 1.00 0.00 C ATOM 617 CD GLN A 45 -5.790 29.830 9.169 1.00 0.00 C ATOM 618 OE1 GLN A 45 -4.664 29.971 9.647 1.00 0.00 O ATOM 619 NE2 GLN A 45 -6.839 30.525 9.591 1.00 0.00 N ATOM 0 H GLN A 45 -2.829 27.119 6.699 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.654 26.618 6.827 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.942 28.458 7.907 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -4.597 29.391 6.575 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.821 29.224 7.395 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.419 27.906 8.477 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.754 30.376 9.166 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.730 31.208 10.340 1.00 0.00 H new ATOM 628 N LYS A 46 -6.381 26.972 4.498 1.00 0.00 N ATOM 629 CA LYS A 46 -6.890 27.213 3.153 1.00 0.00 C ATOM 630 C LYS A 46 -7.489 28.612 3.041 1.00 0.00 C ATOM 631 O LYS A 46 -8.219 29.058 3.926 1.00 0.00 O ATOM 632 CB LYS A 46 -7.943 26.165 2.788 1.00 0.00 C ATOM 633 CG LYS A 46 -8.209 26.063 1.296 1.00 0.00 C ATOM 634 CD LYS A 46 -9.612 25.553 1.013 1.00 0.00 C ATOM 635 CE LYS A 46 -9.746 24.075 1.350 1.00 0.00 C ATOM 636 NZ LYS A 46 -10.113 23.864 2.778 1.00 0.00 N ATOM 0 H LYS A 46 -6.904 26.274 5.028 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.055 27.137 2.456 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.619 25.192 3.158 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.875 26.406 3.299 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.077 27.041 0.834 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.479 25.394 0.840 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.333 26.127 1.595 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.853 25.711 -0.038 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.504 23.623 0.710 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.805 23.567 1.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.819 23.103 2.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.265 23.599 3.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.511 24.742 3.167 1.00 0.00 H new ATOM 650 N PHE A 47 -7.176 29.299 1.947 1.00 0.00 N ATOM 651 CA PHE A 47 -7.683 30.647 1.720 1.00 0.00 C ATOM 652 C PHE A 47 -8.148 30.816 0.276 1.00 0.00 C ATOM 653 O PHE A 47 -8.185 31.929 -0.249 1.00 0.00 O ATOM 654 CB PHE A 47 -6.605 31.683 2.045 1.00 0.00 C ATOM 655 CG PHE A 47 -5.373 31.552 1.197 1.00 0.00 C ATOM 656 CD1 PHE A 47 -5.268 32.232 -0.006 1.00 0.00 C ATOM 657 CD2 PHE A 47 -4.319 30.749 1.602 1.00 0.00 C ATOM 658 CE1 PHE A 47 -4.135 32.112 -0.788 1.00 0.00 C ATOM 659 CE2 PHE A 47 -3.183 30.626 0.824 1.00 0.00 C ATOM 660 CZ PHE A 47 -3.091 31.310 -0.372 1.00 0.00 C ATOM 0 H PHE A 47 -6.574 28.944 1.204 1.00 0.00 H new ATOM 0 HA PHE A 47 -8.537 30.803 2.380 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.021 32.682 1.915 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.326 31.588 3.094 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.080 32.863 -0.336 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.386 30.213 2.537 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.066 32.646 -1.724 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.369 29.996 1.151 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.204 31.218 -0.981 1.00 0.00 H new ATOM 670 N ASP A 48 -8.501 29.704 -0.360 1.00 0.00 N ATOM 671 CA ASP A 48 -8.963 29.728 -1.742 1.00 0.00 C ATOM 672 C ASP A 48 -9.314 28.323 -2.223 1.00 0.00 C ATOM 673 O ASP A 48 -8.498 27.406 -2.138 1.00 0.00 O ATOM 674 CB ASP A 48 -7.894 30.339 -2.650 1.00 0.00 C ATOM 675 CG ASP A 48 -8.468 31.355 -3.618 1.00 0.00 C ATOM 676 OD1 ASP A 48 -9.696 31.334 -3.841 1.00 0.00 O ATOM 677 OD2 ASP A 48 -7.688 32.171 -4.153 1.00 0.00 O ATOM 0 H ASP A 48 -8.476 28.775 0.060 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.862 30.343 -1.787 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.130 30.817 -2.036 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.401 29.545 -3.211 1.00 0.00 H new ATOM 682 N SER A 49 -10.534 28.163 -2.726 1.00 0.00 N ATOM 683 CA SER A 49 -10.994 26.868 -3.215 1.00 0.00 C ATOM 684 C SER A 49 -11.932 27.040 -4.406 1.00 0.00 C ATOM 685 O SER A 49 -13.074 27.474 -4.253 1.00 0.00 O ATOM 686 CB SER A 49 -11.705 26.101 -2.098 1.00 0.00 C ATOM 687 OG SER A 49 -12.129 26.976 -1.068 1.00 0.00 O ATOM 0 H SER A 49 -11.221 28.913 -2.806 1.00 0.00 H new ATOM 0 HA SER A 49 -10.123 26.299 -3.539 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.566 25.572 -2.507 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.034 25.347 -1.686 1.00 0.00 H new ATOM 0 HG SER A 49 -12.582 26.462 -0.367 1.00 0.00 H new ATOM 693 N SER A 50 -11.441 26.697 -5.592 1.00 0.00 N ATOM 694 CA SER A 50 -12.233 26.816 -6.811 1.00 0.00 C ATOM 695 C SER A 50 -13.478 25.937 -6.738 1.00 0.00 C ATOM 696 O SER A 50 -14.489 26.217 -7.383 1.00 0.00 O ATOM 697 CB SER A 50 -11.393 26.430 -8.030 1.00 0.00 C ATOM 698 OG SER A 50 -12.133 26.585 -9.229 1.00 0.00 O ATOM 0 H SER A 50 -10.498 26.334 -5.735 1.00 0.00 H new ATOM 0 HA SER A 50 -12.548 27.855 -6.910 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.497 27.050 -8.069 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.062 25.396 -7.935 1.00 0.00 H new ATOM 0 HG SER A 50 -12.290 25.706 -9.632 1.00 0.00 H new ATOM 704 N LYS A 51 -13.398 24.873 -5.947 1.00 0.00 N ATOM 705 CA LYS A 51 -14.517 23.952 -5.787 1.00 0.00 C ATOM 706 C LYS A 51 -15.728 24.665 -5.193 1.00 0.00 C ATOM 707 O LYS A 51 -16.865 24.229 -5.372 1.00 0.00 O ATOM 708 CB LYS A 51 -14.114 22.778 -4.891 1.00 0.00 C ATOM 709 CG LYS A 51 -13.100 21.845 -5.531 1.00 0.00 C ATOM 710 CD LYS A 51 -13.779 20.767 -6.359 1.00 0.00 C ATOM 711 CE LYS A 51 -12.947 19.495 -6.409 1.00 0.00 C ATOM 712 NZ LYS A 51 -11.550 19.764 -6.853 1.00 0.00 N ATOM 0 H LYS A 51 -12.569 24.627 -5.406 1.00 0.00 H new ATOM 0 HA LYS A 51 -14.787 23.573 -6.773 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.701 23.167 -3.960 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -15.006 22.208 -4.630 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.424 22.420 -6.164 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -12.492 21.380 -4.755 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -14.759 20.545 -5.936 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -13.944 21.135 -7.372 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.932 19.032 -5.423 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.414 18.782 -7.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.290 19.095 -7.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.482 20.737 -7.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.902 19.648 -6.048 1.00 0.00 H new ATOM 726 N ASP A 52 -15.476 25.763 -4.489 1.00 0.00 N ATOM 727 CA ASP A 52 -16.546 26.538 -3.872 1.00 0.00 C ATOM 728 C ASP A 52 -17.600 26.927 -4.904 1.00 0.00 C ATOM 729 O ASP A 52 -18.799 26.781 -4.667 1.00 0.00 O ATOM 730 CB ASP A 52 -15.977 27.792 -3.207 1.00 0.00 C ATOM 731 CG ASP A 52 -16.832 28.272 -2.050 1.00 0.00 C ATOM 732 OD1 ASP A 52 -17.691 27.494 -1.586 1.00 0.00 O ATOM 733 OD2 ASP A 52 -16.641 29.425 -1.609 1.00 0.00 O ATOM 0 H ASP A 52 -14.540 26.136 -4.331 1.00 0.00 H new ATOM 0 HA ASP A 52 -17.020 25.917 -3.112 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -14.969 27.584 -2.848 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.894 28.587 -3.948 1.00 0.00 H new ATOM 738 N ARG A 53 -17.144 27.424 -6.049 1.00 0.00 N ATOM 739 CA ARG A 53 -18.047 27.837 -7.116 1.00 0.00 C ATOM 740 C ARG A 53 -18.657 26.624 -7.812 1.00 0.00 C ATOM 741 O ARG A 53 -19.558 26.758 -8.639 1.00 0.00 O ATOM 742 CB ARG A 53 -17.305 28.703 -8.136 1.00 0.00 C ATOM 743 CG ARG A 53 -18.150 29.829 -8.709 1.00 0.00 C ATOM 744 CD ARG A 53 -18.925 29.374 -9.936 1.00 0.00 C ATOM 745 NE ARG A 53 -19.249 30.488 -10.823 1.00 0.00 N ATOM 746 CZ ARG A 53 -20.130 30.406 -11.814 1.00 0.00 C ATOM 747 NH1 ARG A 53 -20.771 29.269 -12.043 1.00 0.00 N ATOM 748 NH2 ARG A 53 -20.371 31.464 -12.578 1.00 0.00 N ATOM 0 H ARG A 53 -16.154 27.550 -6.261 1.00 0.00 H new ATOM 0 HA ARG A 53 -18.851 28.422 -6.670 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -16.420 29.129 -7.663 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -16.957 28.070 -8.952 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -18.846 30.186 -7.950 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -17.508 30.669 -8.974 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -18.338 28.635 -10.482 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -19.845 28.882 -9.622 1.00 0.00 H new ATOM 0 HE ARG A 53 -18.773 31.378 -10.673 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -20.589 28.454 -11.458 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -21.447 29.209 -12.805 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -19.880 32.341 -12.405 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -21.048 31.400 -13.339 1.00 0.00 H new ATOM 762 N ASN A 54 -18.158 25.440 -7.471 1.00 0.00 N ATOM 763 CA ASN A 54 -18.653 24.202 -8.064 1.00 0.00 C ATOM 764 C ASN A 54 -18.488 24.222 -9.580 1.00 0.00 C ATOM 765 O ASN A 54 -19.381 23.803 -10.318 1.00 0.00 O ATOM 766 CB ASN A 54 -20.125 23.993 -7.702 1.00 0.00 C ATOM 767 CG ASN A 54 -20.302 23.415 -6.311 1.00 0.00 C ATOM 768 OD1 ASN A 54 -19.330 23.058 -5.647 1.00 0.00 O ATOM 769 ND2 ASN A 54 -21.549 23.321 -5.865 1.00 0.00 N ATOM 0 H ASN A 54 -17.412 25.311 -6.788 1.00 0.00 H new ATOM 0 HA ASN A 54 -18.066 23.375 -7.664 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -20.651 24.946 -7.766 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -20.584 23.325 -8.431 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -21.731 22.940 -4.936 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -22.325 23.630 -6.451 1.00 0.00 H new ATOM 776 N ASP A 55 -17.340 24.709 -10.039 1.00 0.00 N ATOM 777 CA ASP A 55 -17.056 24.781 -11.467 1.00 0.00 C ATOM 778 C ASP A 55 -15.559 24.931 -11.717 1.00 0.00 C ATOM 779 O ASP A 55 -14.842 25.590 -10.963 1.00 0.00 O ATOM 780 CB ASP A 55 -17.811 25.951 -12.100 1.00 0.00 C ATOM 781 CG ASP A 55 -17.190 26.402 -13.407 1.00 0.00 C ATOM 782 OD1 ASP A 55 -16.151 27.093 -13.363 1.00 0.00 O ATOM 783 OD2 ASP A 55 -17.743 26.064 -14.475 1.00 0.00 O ATOM 0 H ASP A 55 -16.591 25.060 -9.442 1.00 0.00 H new ATOM 0 HA ASP A 55 -17.391 23.851 -11.926 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -18.847 25.659 -12.275 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -17.829 26.788 -11.402 1.00 0.00 H new ATOM 788 N PRO A 56 -15.073 24.305 -12.799 1.00 0.00 N ATOM 789 CA PRO A 56 -13.657 24.354 -13.173 1.00 0.00 C ATOM 790 C PRO A 56 -13.233 25.735 -13.660 1.00 0.00 C ATOM 791 O PRO A 56 -13.920 26.356 -14.472 1.00 0.00 O ATOM 792 CB PRO A 56 -13.554 23.332 -14.307 1.00 0.00 C ATOM 793 CG PRO A 56 -14.924 23.270 -14.887 1.00 0.00 C ATOM 794 CD PRO A 56 -15.870 23.502 -13.742 1.00 0.00 C ATOM 0 HA PRO A 56 -13.005 24.139 -12.327 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.822 23.641 -15.053 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.237 22.358 -13.934 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -15.055 24.027 -15.661 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -15.107 22.302 -15.354 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -16.767 24.032 -14.063 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -16.197 22.564 -13.294 1.00 0.00 H new ATOM 802 N PHE A 57 -12.097 26.212 -13.161 1.00 0.00 N ATOM 803 CA PHE A 57 -11.582 27.520 -13.546 1.00 0.00 C ATOM 804 C PHE A 57 -11.035 27.492 -14.970 1.00 0.00 C ATOM 805 O PHE A 57 -9.927 27.012 -15.212 1.00 0.00 O ATOM 806 CB PHE A 57 -10.487 27.967 -12.576 1.00 0.00 C ATOM 807 CG PHE A 57 -9.803 29.239 -12.987 1.00 0.00 C ATOM 808 CD1 PHE A 57 -10.538 30.390 -13.224 1.00 0.00 C ATOM 809 CD2 PHE A 57 -8.427 29.285 -13.137 1.00 0.00 C ATOM 810 CE1 PHE A 57 -9.912 31.562 -13.603 1.00 0.00 C ATOM 811 CE2 PHE A 57 -7.795 30.455 -13.515 1.00 0.00 C ATOM 812 CZ PHE A 57 -8.538 31.595 -13.748 1.00 0.00 C ATOM 0 H PHE A 57 -11.516 25.711 -12.489 1.00 0.00 H new ATOM 0 HA PHE A 57 -12.406 28.233 -13.506 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -10.923 28.102 -11.586 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.743 27.175 -12.491 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -11.612 30.371 -13.111 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -7.841 28.396 -12.957 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.496 32.452 -13.786 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -6.721 30.477 -13.628 1.00 0.00 H new ATOM 0 HZ PHE A 57 -8.047 32.510 -14.043 1.00 0.00 H new ATOM 822 N ALA A 58 -11.819 28.009 -15.910 1.00 0.00 N ATOM 823 CA ALA A 58 -11.414 28.044 -17.310 1.00 0.00 C ATOM 824 C ALA A 58 -10.724 29.361 -17.648 1.00 0.00 C ATOM 825 O ALA A 58 -11.343 30.425 -17.610 1.00 0.00 O ATOM 826 CB ALA A 58 -12.619 27.829 -18.214 1.00 0.00 C ATOM 0 H ALA A 58 -12.739 28.410 -15.727 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.701 27.237 -17.477 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.302 27.858 -19.256 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.068 26.859 -17.998 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -13.352 28.616 -18.036 1.00 0.00 H new ATOM 832 N PHE A 59 -9.439 29.283 -17.979 1.00 0.00 N ATOM 833 CA PHE A 59 -8.665 30.470 -18.322 1.00 0.00 C ATOM 834 C PHE A 59 -7.773 30.205 -19.532 1.00 0.00 C ATOM 835 O PHE A 59 -7.623 29.065 -19.970 1.00 0.00 O ATOM 836 CB PHE A 59 -7.811 30.910 -17.132 1.00 0.00 C ATOM 837 CG PHE A 59 -6.574 30.080 -16.941 1.00 0.00 C ATOM 838 CD1 PHE A 59 -6.658 28.795 -16.431 1.00 0.00 C ATOM 839 CD2 PHE A 59 -5.327 30.585 -17.272 1.00 0.00 C ATOM 840 CE1 PHE A 59 -5.522 28.028 -16.254 1.00 0.00 C ATOM 841 CE2 PHE A 59 -4.187 29.823 -17.098 1.00 0.00 C ATOM 842 CZ PHE A 59 -4.285 28.543 -16.588 1.00 0.00 C ATOM 0 H PHE A 59 -8.912 28.410 -18.017 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.363 31.269 -18.574 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.522 31.952 -17.268 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -8.414 30.863 -16.225 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.623 28.387 -16.168 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.245 31.585 -17.671 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.602 27.028 -15.855 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.221 30.228 -17.360 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.396 27.946 -16.451 1.00 0.00 H new ATOM 852 N VAL A 60 -7.183 31.269 -20.068 1.00 0.00 N ATOM 853 CA VAL A 60 -6.305 31.154 -21.227 1.00 0.00 C ATOM 854 C VAL A 60 -4.851 30.988 -20.800 1.00 0.00 C ATOM 855 O VAL A 60 -4.378 31.669 -19.889 1.00 0.00 O ATOM 856 CB VAL A 60 -6.422 32.385 -22.145 1.00 0.00 C ATOM 857 CG1 VAL A 60 -5.497 32.247 -23.344 1.00 0.00 C ATOM 858 CG2 VAL A 60 -7.863 32.579 -22.592 1.00 0.00 C ATOM 0 H VAL A 60 -7.297 32.220 -19.718 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.622 30.269 -21.778 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.118 33.267 -21.582 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.594 33.126 -23.981 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.466 32.159 -23.000 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.767 31.356 -23.911 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.928 33.453 -23.240 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.196 31.697 -23.138 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.498 32.727 -21.719 1.00 0.00 H new ATOM 868 N LEU A 61 -4.145 30.079 -21.464 1.00 0.00 N ATOM 869 CA LEU A 61 -2.742 29.824 -21.154 1.00 0.00 C ATOM 870 C LEU A 61 -1.863 30.983 -21.615 1.00 0.00 C ATOM 871 O LEU A 61 -1.911 31.388 -22.775 1.00 0.00 O ATOM 872 CB LEU A 61 -2.282 28.525 -21.817 1.00 0.00 C ATOM 873 CG LEU A 61 -1.270 27.692 -21.030 1.00 0.00 C ATOM 874 CD1 LEU A 61 -0.317 28.595 -20.262 1.00 0.00 C ATOM 875 CD2 LEU A 61 -1.985 26.740 -20.082 1.00 0.00 C ATOM 0 H LEU A 61 -4.521 29.507 -22.220 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.646 29.727 -20.073 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.160 27.908 -22.009 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.846 28.769 -22.786 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.688 27.101 -21.737 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.396 27.984 -19.708 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.220 29.236 -20.961 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.883 29.213 -19.566 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.249 26.155 -19.530 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.593 27.313 -19.381 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.626 26.070 -20.655 1.00 0.00 H new ATOM 925 N VAL A 66 -3.341 35.449 -14.647 1.00 0.00 N ATOM 926 CA VAL A 66 -2.679 34.481 -13.780 1.00 0.00 C ATOM 927 C VAL A 66 -1.307 34.982 -13.343 1.00 0.00 C ATOM 928 O VAL A 66 -0.884 36.074 -13.724 1.00 0.00 O ATOM 929 CB VAL A 66 -2.517 33.119 -14.481 1.00 0.00 C ATOM 930 CG1 VAL A 66 -3.859 32.619 -14.995 1.00 0.00 C ATOM 931 CG2 VAL A 66 -1.507 33.221 -15.615 1.00 0.00 C ATOM 0 HA VAL A 66 -3.313 34.357 -12.902 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.142 32.398 -13.754 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.724 31.656 -15.487 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.550 32.506 -14.159 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.266 33.337 -15.707 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.405 32.250 -16.099 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.851 33.956 -16.343 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.541 33.531 -15.215 1.00 0.00 H new ATOM 941 N ILE A 67 -0.617 34.177 -12.543 1.00 0.00 N ATOM 942 CA ILE A 67 0.709 34.538 -12.056 1.00 0.00 C ATOM 943 C ILE A 67 1.789 33.694 -12.723 1.00 0.00 C ATOM 944 O ILE A 67 1.499 32.670 -13.342 1.00 0.00 O ATOM 945 CB ILE A 67 0.812 34.369 -10.528 1.00 0.00 C ATOM 946 CG1 ILE A 67 0.913 32.887 -10.163 1.00 0.00 C ATOM 947 CG2 ILE A 67 -0.385 35.009 -9.842 1.00 0.00 C ATOM 948 CD1 ILE A 67 0.914 32.631 -8.672 1.00 0.00 C ATOM 0 H ILE A 67 -0.954 33.271 -12.218 1.00 0.00 H new ATOM 0 HA ILE A 67 0.863 35.587 -12.309 1.00 0.00 H new ATOM 0 HB ILE A 67 1.715 34.872 -10.182 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.078 32.352 -10.615 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.826 32.476 -10.595 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.297 34.881 -8.763 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.415 36.072 -10.080 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.302 34.533 -10.191 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.988 31.559 -8.487 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.765 33.137 -8.216 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.010 33.011 -8.237 1.00 0.00 H new ATOM 960 N LYS A 68 3.037 34.129 -12.593 1.00 0.00 N ATOM 961 CA LYS A 68 4.163 33.413 -13.180 1.00 0.00 C ATOM 962 C LYS A 68 4.081 31.922 -12.871 1.00 0.00 C ATOM 963 O LYS A 68 4.089 31.089 -13.776 1.00 0.00 O ATOM 964 CB LYS A 68 5.485 33.981 -12.656 1.00 0.00 C ATOM 965 CG LYS A 68 5.900 35.277 -13.331 1.00 0.00 C ATOM 966 CD LYS A 68 7.352 35.617 -13.039 1.00 0.00 C ATOM 967 CE LYS A 68 7.786 36.879 -13.769 1.00 0.00 C ATOM 968 NZ LYS A 68 9.219 36.823 -14.168 1.00 0.00 N ATOM 0 H LYS A 68 3.295 34.975 -12.085 1.00 0.00 H new ATOM 0 HA LYS A 68 4.121 33.545 -14.261 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.398 34.152 -11.583 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.271 33.239 -12.798 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.755 35.190 -14.408 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.259 36.089 -12.987 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.487 35.752 -11.966 1.00 0.00 H new ATOM 0 HD3 LYS A 68 7.989 34.785 -13.338 1.00 0.00 H new ATOM 0 HE2 LYS A 68 7.167 37.017 -14.656 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.621 37.745 -13.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.476 37.701 -14.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.812 36.717 -13.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.372 36.012 -14.801 1.00 0.00 H new ATOM 982 N GLY A 69 3.999 31.592 -11.585 1.00 0.00 N ATOM 983 CA GLY A 69 3.914 30.201 -11.181 1.00 0.00 C ATOM 984 C GLY A 69 2.782 29.465 -11.868 1.00 0.00 C ATOM 985 O GLY A 69 2.874 28.262 -12.115 1.00 0.00 O ATOM 0 H GLY A 69 3.990 32.263 -10.817 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.857 29.702 -11.406 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.775 30.148 -10.101 1.00 0.00 H new ATOM 989 N TRP A 70 1.711 30.187 -12.177 1.00 0.00 N ATOM 990 CA TRP A 70 0.554 29.594 -12.839 1.00 0.00 C ATOM 991 C TRP A 70 0.898 29.176 -14.264 1.00 0.00 C ATOM 992 O TRP A 70 0.780 28.004 -14.623 1.00 0.00 O ATOM 993 CB TRP A 70 -0.614 30.581 -12.851 1.00 0.00 C ATOM 994 CG TRP A 70 -1.815 30.089 -12.100 1.00 0.00 C ATOM 995 CD1 TRP A 70 -3.014 29.708 -12.631 1.00 0.00 C ATOM 996 CD2 TRP A 70 -1.932 29.928 -10.682 1.00 0.00 C ATOM 997 NE1 TRP A 70 -3.870 29.320 -11.629 1.00 0.00 N ATOM 998 CE2 TRP A 70 -3.230 29.445 -10.424 1.00 0.00 C ATOM 999 CE3 TRP A 70 -1.067 30.143 -9.606 1.00 0.00 C ATOM 1000 CZ2 TRP A 70 -3.680 29.175 -9.134 1.00 0.00 C ATOM 1001 CZ3 TRP A 70 -1.516 29.876 -8.327 1.00 0.00 C ATOM 1002 CH2 TRP A 70 -2.812 29.395 -8.100 1.00 0.00 C ATOM 0 H TRP A 70 1.619 31.184 -11.980 1.00 0.00 H new ATOM 0 HA TRP A 70 0.263 28.705 -12.280 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.286 31.526 -12.419 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -0.898 30.784 -13.884 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.254 29.711 -13.684 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.827 28.992 -11.761 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.065 30.511 -9.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -4.679 28.805 -8.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.857 30.041 -7.488 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -3.132 29.194 -7.088 1.00 0.00 H new ATOM 1013 N ASP A 71 1.323 30.141 -15.072 1.00 0.00 N ATOM 1014 CA ASP A 71 1.685 29.872 -16.459 1.00 0.00 C ATOM 1015 C ASP A 71 2.705 28.741 -16.545 1.00 0.00 C ATOM 1016 O ASP A 71 2.565 27.827 -17.357 1.00 0.00 O ATOM 1017 CB ASP A 71 2.249 31.134 -17.115 1.00 0.00 C ATOM 1018 CG ASP A 71 2.838 30.861 -18.485 1.00 0.00 C ATOM 1019 OD1 ASP A 71 2.079 30.448 -19.386 1.00 0.00 O ATOM 1020 OD2 ASP A 71 4.059 31.060 -18.655 1.00 0.00 O ATOM 0 H ASP A 71 1.425 31.116 -14.791 1.00 0.00 H new ATOM 0 HA ASP A 71 0.784 29.566 -16.991 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.457 31.878 -17.205 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.017 31.562 -16.471 1.00 0.00 H new ATOM 1025 N GLU A 72 3.731 28.810 -15.702 1.00 0.00 N ATOM 1026 CA GLU A 72 4.775 27.792 -15.686 1.00 0.00 C ATOM 1027 C GLU A 72 4.193 26.422 -15.349 1.00 0.00 C ATOM 1028 O GLU A 72 4.555 25.415 -15.956 1.00 0.00 O ATOM 1029 CB GLU A 72 5.861 28.160 -14.673 1.00 0.00 C ATOM 1030 CG GLU A 72 7.130 27.337 -14.815 1.00 0.00 C ATOM 1031 CD GLU A 72 8.081 27.905 -15.851 1.00 0.00 C ATOM 1032 OE1 GLU A 72 7.653 28.089 -17.010 1.00 0.00 O ATOM 1033 OE2 GLU A 72 9.251 28.166 -15.503 1.00 0.00 O ATOM 0 H GLU A 72 3.861 29.559 -15.022 1.00 0.00 H new ATOM 0 HA GLU A 72 5.217 27.745 -16.681 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.108 29.216 -14.785 1.00 0.00 H new ATOM 0 HB3 GLU A 72 5.465 28.031 -13.666 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.636 27.288 -13.851 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.867 26.315 -15.090 1.00 0.00 H new ATOM 1040 N GLY A 73 3.289 26.393 -14.374 1.00 0.00 N ATOM 1041 CA GLY A 73 2.672 25.142 -13.972 1.00 0.00 C ATOM 1042 C GLY A 73 1.828 24.531 -15.073 1.00 0.00 C ATOM 1043 O GLY A 73 2.122 23.437 -15.555 1.00 0.00 O ATOM 0 H GLY A 73 2.973 27.213 -13.856 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.448 24.435 -13.679 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.049 25.313 -13.094 1.00 0.00 H new ATOM 1047 N VAL A 74 0.776 25.239 -15.472 1.00 0.00 N ATOM 1048 CA VAL A 74 -0.113 24.759 -16.524 1.00 0.00 C ATOM 1049 C VAL A 74 0.654 24.494 -17.814 1.00 0.00 C ATOM 1050 O VAL A 74 0.253 23.659 -18.625 1.00 0.00 O ATOM 1051 CB VAL A 74 -1.241 25.769 -16.808 1.00 0.00 C ATOM 1052 CG1 VAL A 74 -2.288 25.726 -15.706 1.00 0.00 C ATOM 1053 CG2 VAL A 74 -0.673 27.172 -16.961 1.00 0.00 C ATOM 0 H VAL A 74 0.519 26.146 -15.083 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.551 23.826 -16.168 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.724 25.493 -17.745 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.076 26.446 -15.925 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.716 24.725 -15.650 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.823 25.976 -14.752 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.483 27.873 -17.161 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.163 27.460 -16.042 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.035 27.190 -17.790 1.00 0.00 H new ATOM 1063 N GLN A 75 1.760 25.208 -17.996 1.00 0.00 N ATOM 1064 CA GLN A 75 2.583 25.050 -19.189 1.00 0.00 C ATOM 1065 C GLN A 75 2.965 23.588 -19.396 1.00 0.00 C ATOM 1066 O GLN A 75 3.243 23.161 -20.516 1.00 0.00 O ATOM 1067 CB GLN A 75 3.845 25.908 -19.081 1.00 0.00 C ATOM 1068 CG GLN A 75 3.783 27.186 -19.903 1.00 0.00 C ATOM 1069 CD GLN A 75 3.834 26.923 -21.395 1.00 0.00 C ATOM 1070 OE1 GLN A 75 2.799 26.822 -22.055 1.00 0.00 O ATOM 1071 NE2 GLN A 75 5.042 26.809 -21.936 1.00 0.00 N ATOM 0 H GLN A 75 2.107 25.901 -17.333 1.00 0.00 H new ATOM 0 HA GLN A 75 2.000 25.380 -20.049 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.011 26.166 -18.035 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.704 25.319 -19.404 1.00 0.00 H new ATOM 0 HG2 GLN A 75 2.865 27.723 -19.664 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.614 27.834 -19.623 1.00 0.00 H new ATOM 0 HE21 GLN A 75 5.873 26.900 -21.352 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.138 26.631 -22.936 1.00 0.00 H new ATOM 1080 N GLY A 76 2.977 22.824 -18.307 1.00 0.00 N ATOM 1081 CA GLY A 76 3.327 21.418 -18.391 1.00 0.00 C ATOM 1082 C GLY A 76 2.223 20.515 -17.879 1.00 0.00 C ATOM 1083 O GLY A 76 2.170 19.334 -18.222 1.00 0.00 O ATOM 0 H GLY A 76 2.751 23.154 -17.369 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.549 21.163 -19.427 1.00 0.00 H new ATOM 0 HA3 GLY A 76 4.236 21.238 -17.816 1.00 0.00 H new ATOM 1087 N MET A 77 1.341 21.070 -17.055 1.00 0.00 N ATOM 1088 CA MET A 77 0.233 20.305 -16.494 1.00 0.00 C ATOM 1089 C MET A 77 -0.532 19.572 -17.591 1.00 0.00 C ATOM 1090 O MET A 77 -0.683 20.080 -18.703 1.00 0.00 O ATOM 1091 CB MET A 77 -0.715 21.228 -15.725 1.00 0.00 C ATOM 1092 CG MET A 77 -1.400 20.551 -14.548 1.00 0.00 C ATOM 1093 SD MET A 77 -1.254 21.499 -13.021 1.00 0.00 S ATOM 1094 CE MET A 77 0.526 21.639 -12.878 1.00 0.00 C ATOM 0 H MET A 77 1.372 22.046 -16.761 1.00 0.00 H new ATOM 0 HA MET A 77 0.646 19.566 -15.807 1.00 0.00 H new ATOM 0 HB2 MET A 77 -0.155 22.090 -15.362 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.475 21.606 -16.409 1.00 0.00 H new ATOM 0 HG2 MET A 77 -2.455 20.405 -14.781 1.00 0.00 H new ATOM 0 HG3 MET A 77 -0.966 19.562 -14.400 1.00 0.00 H new ATOM 0 HE1 MET A 77 0.786 21.958 -11.869 1.00 0.00 H new ATOM 0 HE2 MET A 77 0.985 20.672 -13.083 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.892 22.373 -13.596 1.00 0.00 H new ATOM 1104 N LYS A 78 -1.013 18.375 -17.273 1.00 0.00 N ATOM 1105 CA LYS A 78 -1.764 17.572 -18.231 1.00 0.00 C ATOM 1106 C LYS A 78 -3.165 17.270 -17.708 1.00 0.00 C ATOM 1107 O LYS A 78 -3.377 17.155 -16.501 1.00 0.00 O ATOM 1108 CB LYS A 78 -1.024 16.264 -18.522 1.00 0.00 C ATOM 1109 CG LYS A 78 0.364 16.467 -19.104 1.00 0.00 C ATOM 1110 CD LYS A 78 1.299 15.331 -18.726 1.00 0.00 C ATOM 1111 CE LYS A 78 2.043 15.628 -17.433 1.00 0.00 C ATOM 1112 NZ LYS A 78 3.348 14.913 -17.367 1.00 0.00 N ATOM 0 H LYS A 78 -0.896 17.939 -16.358 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.855 18.144 -19.154 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.941 15.690 -17.599 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.616 15.668 -19.216 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.297 16.539 -20.190 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.775 17.411 -18.747 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.727 14.410 -18.615 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.016 15.166 -19.530 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.212 16.702 -17.350 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.426 15.336 -16.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.824 15.142 -16.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 3.185 13.887 -17.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.947 15.210 -18.163 1.00 0.00 H new ATOM 1126 N VAL A 79 -4.119 17.141 -18.625 1.00 0.00 N ATOM 1127 CA VAL A 79 -5.499 16.850 -18.257 1.00 0.00 C ATOM 1128 C VAL A 79 -5.578 15.639 -17.334 1.00 0.00 C ATOM 1129 O VAL A 79 -5.043 14.574 -17.643 1.00 0.00 O ATOM 1130 CB VAL A 79 -6.369 16.591 -19.501 1.00 0.00 C ATOM 1131 CG1 VAL A 79 -7.813 16.329 -19.098 1.00 0.00 C ATOM 1132 CG2 VAL A 79 -6.281 17.764 -20.466 1.00 0.00 C ATOM 0 H VAL A 79 -3.961 17.234 -19.628 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.879 17.728 -17.734 1.00 0.00 H new ATOM 0 HB VAL A 79 -5.992 15.703 -20.008 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.413 16.148 -19.990 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.857 15.455 -18.448 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.205 17.196 -18.567 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.902 17.564 -21.339 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.632 18.669 -19.971 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.246 17.900 -20.780 1.00 0.00 H new ATOM 1142 N GLY A 80 -6.249 15.809 -16.199 1.00 0.00 N ATOM 1143 CA GLY A 80 -6.386 14.721 -15.248 1.00 0.00 C ATOM 1144 C GLY A 80 -5.193 14.610 -14.319 1.00 0.00 C ATOM 1145 O GLY A 80 -5.149 13.733 -13.456 1.00 0.00 O ATOM 0 H GLY A 80 -6.700 16.681 -15.921 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.290 14.870 -14.657 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.510 13.783 -15.789 1.00 0.00 H new ATOM 1149 N GLY A 81 -4.222 15.500 -14.496 1.00 0.00 N ATOM 1150 CA GLY A 81 -3.035 15.480 -13.660 1.00 0.00 C ATOM 1151 C GLY A 81 -3.072 16.537 -12.575 1.00 0.00 C ATOM 1152 O GLY A 81 -3.531 17.656 -12.804 1.00 0.00 O ATOM 0 H GLY A 81 -4.236 16.235 -15.203 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.934 14.496 -13.201 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.153 15.633 -14.282 1.00 0.00 H new ATOM 1156 N VAL A 82 -2.589 16.183 -11.388 1.00 0.00 N ATOM 1157 CA VAL A 82 -2.569 17.109 -10.263 1.00 0.00 C ATOM 1158 C VAL A 82 -1.146 17.345 -9.770 1.00 0.00 C ATOM 1159 O VAL A 82 -0.358 16.407 -9.646 1.00 0.00 O ATOM 1160 CB VAL A 82 -3.427 16.591 -9.093 1.00 0.00 C ATOM 1161 CG1 VAL A 82 -3.543 17.648 -8.006 1.00 0.00 C ATOM 1162 CG2 VAL A 82 -4.802 16.169 -9.588 1.00 0.00 C ATOM 0 H VAL A 82 -2.206 15.260 -11.181 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.987 18.050 -10.621 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.936 15.717 -8.664 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.153 17.264 -7.188 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.550 17.896 -7.632 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.010 18.543 -8.417 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.395 15.806 -8.749 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.303 17.023 -10.043 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.695 15.375 -10.327 1.00 0.00 H new ATOM 1172 N ARG A 83 -0.823 18.603 -9.490 1.00 0.00 N ATOM 1173 CA ARG A 83 0.507 18.962 -9.011 1.00 0.00 C ATOM 1174 C ARG A 83 0.435 20.136 -8.039 1.00 0.00 C ATOM 1175 O ARG A 83 -0.331 21.078 -8.243 1.00 0.00 O ATOM 1176 CB ARG A 83 1.418 19.315 -10.187 1.00 0.00 C ATOM 1177 CG ARG A 83 2.880 19.467 -9.801 1.00 0.00 C ATOM 1178 CD ARG A 83 3.757 19.702 -11.021 1.00 0.00 C ATOM 1179 NE ARG A 83 3.574 18.667 -12.035 1.00 0.00 N ATOM 1180 CZ ARG A 83 4.077 18.743 -13.262 1.00 0.00 C ATOM 1181 NH1 ARG A 83 4.791 19.800 -13.625 1.00 0.00 N ATOM 1182 NH2 ARG A 83 3.867 17.760 -14.128 1.00 0.00 N ATOM 0 H ARG A 83 -1.464 19.391 -9.586 1.00 0.00 H new ATOM 0 HA ARG A 83 0.921 18.102 -8.486 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.331 18.540 -10.948 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.071 20.245 -10.638 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.989 20.300 -9.107 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.214 18.571 -9.278 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.525 20.676 -11.452 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.803 19.729 -10.716 1.00 0.00 H new ATOM 0 HE ARG A 83 3.030 17.840 -11.787 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.955 20.557 -12.961 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.176 19.856 -14.568 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.319 16.945 -13.852 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.254 17.819 -15.070 1.00 0.00 H new ATOM 1196 N ARG A 84 1.238 20.072 -6.981 1.00 0.00 N ATOM 1197 CA ARG A 84 1.265 21.128 -5.977 1.00 0.00 C ATOM 1198 C ARG A 84 2.250 22.225 -6.368 1.00 0.00 C ATOM 1199 O ARG A 84 3.464 22.063 -6.231 1.00 0.00 O ATOM 1200 CB ARG A 84 1.641 20.553 -4.611 1.00 0.00 C ATOM 1201 CG ARG A 84 1.081 21.345 -3.441 1.00 0.00 C ATOM 1202 CD ARG A 84 1.261 20.601 -2.127 1.00 0.00 C ATOM 1203 NE ARG A 84 0.332 21.069 -1.101 1.00 0.00 N ATOM 1204 CZ ARG A 84 0.313 20.600 0.142 1.00 0.00 C ATOM 1205 NH1 ARG A 84 1.167 19.655 0.511 1.00 0.00 N ATOM 1206 NH2 ARG A 84 -0.562 21.076 1.018 1.00 0.00 N ATOM 0 H ARG A 84 1.878 19.299 -6.798 1.00 0.00 H new ATOM 0 HA ARG A 84 0.268 21.564 -5.918 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.283 19.526 -4.548 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.727 20.517 -4.528 1.00 0.00 H new ATOM 0 HG2 ARG A 84 1.579 22.313 -3.384 1.00 0.00 H new ATOM 0 HG3 ARG A 84 0.022 21.541 -3.607 1.00 0.00 H new ATOM 0 HD2 ARG A 84 1.112 19.534 -2.291 1.00 0.00 H new ATOM 0 HD3 ARG A 84 2.285 20.729 -1.775 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.338 21.795 -1.353 1.00 0.00 H new ATOM 0 HH11 ARG A 84 1.841 19.286 -0.160 1.00 0.00 H new ATOM 0 HH12 ARG A 84 1.150 19.297 1.466 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.221 21.802 0.738 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.576 20.716 1.972 1.00 0.00 H new ATOM 1220 N LEU A 85 1.722 23.342 -6.856 1.00 0.00 N ATOM 1221 CA LEU A 85 2.555 24.467 -7.268 1.00 0.00 C ATOM 1222 C LEU A 85 2.823 25.404 -6.095 1.00 0.00 C ATOM 1223 O LEU A 85 1.898 25.982 -5.523 1.00 0.00 O ATOM 1224 CB LEU A 85 1.881 25.236 -8.406 1.00 0.00 C ATOM 1225 CG LEU A 85 2.681 26.398 -8.996 1.00 0.00 C ATOM 1226 CD1 LEU A 85 3.561 25.914 -10.139 1.00 0.00 C ATOM 1227 CD2 LEU A 85 1.747 27.502 -9.470 1.00 0.00 C ATOM 0 H LEU A 85 0.720 23.493 -6.976 1.00 0.00 H new ATOM 0 HA LEU A 85 3.508 24.072 -7.619 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.653 24.534 -9.208 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.929 25.624 -8.042 1.00 0.00 H new ATOM 0 HG LEU A 85 3.325 26.804 -8.216 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.123 26.754 -10.547 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.255 25.159 -9.769 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.937 25.482 -10.921 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.334 28.321 -9.887 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.078 27.109 -10.235 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.160 27.868 -8.628 1.00 0.00 H new ATOM 1239 N THR A 86 4.096 25.553 -5.741 1.00 0.00 N ATOM 1240 CA THR A 86 4.486 26.420 -4.637 1.00 0.00 C ATOM 1241 C THR A 86 4.993 27.765 -5.147 1.00 0.00 C ATOM 1242 O THR A 86 5.952 27.826 -5.917 1.00 0.00 O ATOM 1243 CB THR A 86 5.580 25.768 -3.770 1.00 0.00 C ATOM 1244 OG1 THR A 86 5.276 24.385 -3.556 1.00 0.00 O ATOM 1245 CG2 THR A 86 5.702 26.478 -2.430 1.00 0.00 C ATOM 0 H THR A 86 4.875 25.084 -6.204 1.00 0.00 H new ATOM 0 HA THR A 86 3.595 26.577 -4.028 1.00 0.00 H new ATOM 0 HB THR A 86 6.530 25.854 -4.297 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.977 23.977 -3.006 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.480 26.000 -1.835 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.961 27.524 -2.595 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.752 26.419 -1.899 1.00 0.00 H new ATOM 1253 N ILE A 87 4.343 28.840 -4.714 1.00 0.00 N ATOM 1254 CA ILE A 87 4.729 30.183 -5.125 1.00 0.00 C ATOM 1255 C ILE A 87 5.149 31.027 -3.926 1.00 0.00 C ATOM 1256 O ILE A 87 4.471 31.070 -2.899 1.00 0.00 O ATOM 1257 CB ILE A 87 3.583 30.897 -5.865 1.00 0.00 C ATOM 1258 CG1 ILE A 87 3.113 30.057 -7.055 1.00 0.00 C ATOM 1259 CG2 ILE A 87 4.028 32.276 -6.327 1.00 0.00 C ATOM 1260 CD1 ILE A 87 2.043 29.049 -6.697 1.00 0.00 C ATOM 0 H ILE A 87 3.546 28.806 -4.078 1.00 0.00 H new ATOM 0 HA ILE A 87 5.576 30.073 -5.803 1.00 0.00 H new ATOM 0 HB ILE A 87 2.747 31.018 -5.177 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.731 30.721 -7.830 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.969 29.532 -7.479 1.00 0.00 H new ATOM 0 HG21 ILE A 87 3.207 32.768 -6.848 1.00 0.00 H new ATOM 0 HG22 ILE A 87 4.318 32.873 -5.463 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.878 32.177 -7.002 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.758 28.489 -7.588 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.428 28.361 -5.944 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.171 29.569 -6.301 1.00 0.00 H new ATOM 1272 N PRO A 88 6.292 31.716 -4.058 1.00 0.00 N ATOM 1273 CA PRO A 88 6.826 32.573 -2.996 1.00 0.00 C ATOM 1274 C PRO A 88 5.982 33.825 -2.781 1.00 0.00 C ATOM 1275 O PRO A 88 5.075 34.131 -3.555 1.00 0.00 O ATOM 1276 CB PRO A 88 8.218 32.949 -3.510 1.00 0.00 C ATOM 1277 CG PRO A 88 8.119 32.831 -4.992 1.00 0.00 C ATOM 1278 CD PRO A 88 7.150 31.712 -5.254 1.00 0.00 C ATOM 0 HA PRO A 88 6.835 32.067 -2.031 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.491 33.961 -3.211 1.00 0.00 H new ATOM 0 HB3 PRO A 88 8.981 32.282 -3.110 1.00 0.00 H new ATOM 0 HG2 PRO A 88 7.768 33.763 -5.435 1.00 0.00 H new ATOM 0 HG3 PRO A 88 9.093 32.615 -5.432 1.00 0.00 H new ATOM 0 HD2 PRO A 88 6.573 31.885 -6.163 1.00 0.00 H new ATOM 0 HD3 PRO A 88 7.662 30.758 -5.378 1.00 0.00 H new ATOM 1286 N PRO A 89 6.285 34.567 -1.706 1.00 0.00 N ATOM 1287 CA PRO A 89 5.566 35.798 -1.365 1.00 0.00 C ATOM 1288 C PRO A 89 5.853 36.928 -2.348 1.00 0.00 C ATOM 1289 O PRO A 89 5.245 37.995 -2.275 1.00 0.00 O ATOM 1290 CB PRO A 89 6.102 36.149 0.025 1.00 0.00 C ATOM 1291 CG PRO A 89 7.450 35.517 0.081 1.00 0.00 C ATOM 1292 CD PRO A 89 7.354 34.262 -0.740 1.00 0.00 C ATOM 0 HA PRO A 89 4.485 35.661 -1.397 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.165 37.228 0.164 1.00 0.00 H new ATOM 0 HB3 PRO A 89 5.451 35.763 0.810 1.00 0.00 H new ATOM 0 HG2 PRO A 89 8.212 36.187 -0.318 1.00 0.00 H new ATOM 0 HG3 PRO A 89 7.732 35.290 1.109 1.00 0.00 H new ATOM 0 HD2 PRO A 89 8.296 34.036 -1.241 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.105 33.397 -0.125 1.00 0.00 H new ATOM 1300 N GLN A 90 6.783 36.685 -3.267 1.00 0.00 N ATOM 1301 CA GLN A 90 7.150 37.684 -4.263 1.00 0.00 C ATOM 1302 C GLN A 90 6.435 37.423 -5.585 1.00 0.00 C ATOM 1303 O GLN A 90 5.934 38.349 -6.225 1.00 0.00 O ATOM 1304 CB GLN A 90 8.664 37.685 -4.481 1.00 0.00 C ATOM 1305 CG GLN A 90 9.148 38.803 -5.391 1.00 0.00 C ATOM 1306 CD GLN A 90 10.607 38.655 -5.773 1.00 0.00 C ATOM 1307 OE1 GLN A 90 11.457 39.432 -5.336 1.00 0.00 O ATOM 1308 NE2 GLN A 90 10.907 37.653 -6.592 1.00 0.00 N ATOM 0 H GLN A 90 7.295 35.806 -3.342 1.00 0.00 H new ATOM 0 HA GLN A 90 6.842 38.661 -3.891 1.00 0.00 H new ATOM 0 HB2 GLN A 90 9.162 37.773 -3.515 1.00 0.00 H new ATOM 0 HB3 GLN A 90 8.962 36.727 -4.907 1.00 0.00 H new ATOM 0 HG2 GLN A 90 8.540 38.819 -6.295 1.00 0.00 H new ATOM 0 HG3 GLN A 90 9.003 39.761 -4.892 1.00 0.00 H new ATOM 0 HE21 GLN A 90 10.171 37.033 -6.930 1.00 0.00 H new ATOM 0 HE22 GLN A 90 11.873 37.504 -6.883 1.00 0.00 H new ATOM 1317 N LEU A 91 6.390 36.158 -5.988 1.00 0.00 N ATOM 1318 CA LEU A 91 5.735 35.775 -7.234 1.00 0.00 C ATOM 1319 C LEU A 91 4.278 35.396 -6.989 1.00 0.00 C ATOM 1320 O LEU A 91 3.636 34.777 -7.837 1.00 0.00 O ATOM 1321 CB LEU A 91 6.476 34.605 -7.883 1.00 0.00 C ATOM 1322 CG LEU A 91 7.995 34.750 -7.993 1.00 0.00 C ATOM 1323 CD1 LEU A 91 8.588 33.582 -8.765 1.00 0.00 C ATOM 1324 CD2 LEU A 91 8.357 36.070 -8.659 1.00 0.00 C ATOM 0 H LEU A 91 6.799 35.380 -5.470 1.00 0.00 H new ATOM 0 HA LEU A 91 5.760 36.632 -7.908 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.258 33.702 -7.313 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.072 34.456 -8.884 1.00 0.00 H new ATOM 0 HG LEU A 91 8.415 34.745 -6.987 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.669 33.702 -8.833 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.358 32.650 -8.248 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.162 33.555 -9.768 1.00 0.00 H new ATOM 0 HD21 LEU A 91 9.441 36.157 -8.729 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.925 36.104 -9.659 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.965 36.896 -8.066 1.00 0.00 H new ATOM 1336 N GLY A 92 3.761 35.773 -5.824 1.00 0.00 N ATOM 1337 CA GLY A 92 2.383 35.465 -5.489 1.00 0.00 C ATOM 1338 C GLY A 92 1.555 36.711 -5.242 1.00 0.00 C ATOM 1339 O GLY A 92 0.653 37.029 -6.018 1.00 0.00 O ATOM 0 H GLY A 92 4.272 36.286 -5.106 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.935 34.889 -6.299 1.00 0.00 H new ATOM 0 HA3 GLY A 92 2.360 34.835 -4.600 1.00 0.00 H new ATOM 1513 N ALA A 106 6.590 34.885 3.247 1.00 0.00 N ATOM 1514 CA ALA A 106 5.772 33.702 3.482 1.00 0.00 C ATOM 1515 C ALA A 106 5.545 32.926 2.190 1.00 0.00 C ATOM 1516 O ALA A 106 5.170 33.499 1.166 1.00 0.00 O ATOM 1517 CB ALA A 106 4.440 34.097 4.104 1.00 0.00 C ATOM 0 HA ALA A 106 6.306 33.053 4.175 1.00 0.00 H new ATOM 0 HB1 ALA A 106 3.839 33.204 4.274 1.00 0.00 H new ATOM 0 HB2 ALA A 106 4.617 34.602 5.054 1.00 0.00 H new ATOM 0 HB3 ALA A 106 3.909 34.769 3.430 1.00 0.00 H new ATOM 1523 N THR A 107 5.776 31.618 2.242 1.00 0.00 N ATOM 1524 CA THR A 107 5.599 30.763 1.075 1.00 0.00 C ATOM 1525 C THR A 107 4.151 30.303 0.946 1.00 0.00 C ATOM 1526 O THR A 107 3.584 29.733 1.879 1.00 0.00 O ATOM 1527 CB THR A 107 6.515 29.526 1.141 1.00 0.00 C ATOM 1528 OG1 THR A 107 7.887 29.934 1.169 1.00 0.00 O ATOM 1529 CG2 THR A 107 6.276 28.612 -0.052 1.00 0.00 C ATOM 0 H THR A 107 6.086 31.127 3.081 1.00 0.00 H new ATOM 0 HA THR A 107 5.868 31.358 0.202 1.00 0.00 H new ATOM 0 HB THR A 107 6.282 28.976 2.053 1.00 0.00 H new ATOM 0 HG1 THR A 107 8.463 29.142 1.213 1.00 0.00 H new ATOM 0 HG21 THR A 107 6.934 27.745 0.016 1.00 0.00 H new ATOM 0 HG22 THR A 107 5.238 28.280 -0.054 1.00 0.00 H new ATOM 0 HG23 THR A 107 6.485 29.155 -0.974 1.00 0.00 H new ATOM 1537 N LEU A 108 3.558 30.552 -0.217 1.00 0.00 N ATOM 1538 CA LEU A 108 2.175 30.162 -0.469 1.00 0.00 C ATOM 1539 C LEU A 108 2.112 28.834 -1.216 1.00 0.00 C ATOM 1540 O LEU A 108 2.817 28.632 -2.205 1.00 0.00 O ATOM 1541 CB LEU A 108 1.457 31.247 -1.273 1.00 0.00 C ATOM 1542 CG LEU A 108 0.951 32.449 -0.475 1.00 0.00 C ATOM 1543 CD1 LEU A 108 -0.028 32.002 0.600 1.00 0.00 C ATOM 1544 CD2 LEU A 108 2.116 33.208 0.145 1.00 0.00 C ATOM 0 H LEU A 108 4.013 31.022 -1.000 1.00 0.00 H new ATOM 0 HA LEU A 108 1.676 30.041 0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.136 31.609 -2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.608 30.791 -1.783 1.00 0.00 H new ATOM 0 HG LEU A 108 0.429 33.120 -1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.378 32.871 1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.878 31.504 0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 108 0.469 31.310 1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 108 1.736 34.060 0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 108 2.667 32.546 0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.780 33.562 -0.643 1.00 0.00 H new ATOM 1556 N VAL A 109 1.261 27.931 -0.738 1.00 0.00 N ATOM 1557 CA VAL A 109 1.102 26.624 -1.363 1.00 0.00 C ATOM 1558 C VAL A 109 -0.205 26.542 -2.142 1.00 0.00 C ATOM 1559 O VAL A 109 -1.290 26.569 -1.560 1.00 0.00 O ATOM 1560 CB VAL A 109 1.135 25.494 -0.316 1.00 0.00 C ATOM 1561 CG1 VAL A 109 0.855 24.150 -0.972 1.00 0.00 C ATOM 1562 CG2 VAL A 109 2.474 25.476 0.406 1.00 0.00 C ATOM 0 H VAL A 109 0.671 28.081 0.080 1.00 0.00 H new ATOM 0 HA VAL A 109 1.939 26.498 -2.050 1.00 0.00 H new ATOM 0 HB VAL A 109 0.354 25.681 0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.882 23.364 -0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.130 24.171 -1.438 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.612 23.951 -1.731 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.480 24.672 1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.274 25.313 -0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.628 26.430 0.910 1.00 0.00 H new ATOM 1572 N PHE A 110 -0.096 26.441 -3.463 1.00 0.00 N ATOM 1573 CA PHE A 110 -1.270 26.355 -4.323 1.00 0.00 C ATOM 1574 C PHE A 110 -1.300 25.026 -5.072 1.00 0.00 C ATOM 1575 O PHE A 110 -0.295 24.600 -5.641 1.00 0.00 O ATOM 1576 CB PHE A 110 -1.283 27.516 -5.321 1.00 0.00 C ATOM 1577 CG PHE A 110 -1.667 28.831 -4.705 1.00 0.00 C ATOM 1578 CD1 PHE A 110 -3.000 29.166 -4.531 1.00 0.00 C ATOM 1579 CD2 PHE A 110 -0.696 29.732 -4.301 1.00 0.00 C ATOM 1580 CE1 PHE A 110 -3.358 30.375 -3.965 1.00 0.00 C ATOM 1581 CE2 PHE A 110 -1.047 30.942 -3.734 1.00 0.00 C ATOM 1582 CZ PHE A 110 -2.379 31.265 -3.567 1.00 0.00 C ATOM 0 H PHE A 110 0.794 26.417 -3.961 1.00 0.00 H new ATOM 0 HA PHE A 110 -2.157 26.416 -3.692 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -0.294 27.609 -5.771 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -1.979 27.284 -6.127 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -3.769 28.474 -4.841 1.00 0.00 H new ATOM 0 HD2 PHE A 110 0.348 29.486 -4.431 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.401 30.624 -3.834 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -0.280 31.635 -3.422 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.655 32.211 -3.126 1.00 0.00 H new ATOM 1592 N GLU A 111 -2.459 24.376 -5.065 1.00 0.00 N ATOM 1593 CA GLU A 111 -2.620 23.094 -5.742 1.00 0.00 C ATOM 1594 C GLU A 111 -3.413 23.258 -7.035 1.00 0.00 C ATOM 1595 O GLU A 111 -4.515 23.807 -7.036 1.00 0.00 O ATOM 1596 CB GLU A 111 -3.321 22.092 -4.824 1.00 0.00 C ATOM 1597 CG GLU A 111 -3.767 20.824 -5.534 1.00 0.00 C ATOM 1598 CD GLU A 111 -5.213 20.886 -5.985 1.00 0.00 C ATOM 1599 OE1 GLU A 111 -5.463 21.352 -7.116 1.00 0.00 O ATOM 1600 OE2 GLU A 111 -6.095 20.467 -5.206 1.00 0.00 O ATOM 0 H GLU A 111 -3.300 24.715 -4.598 1.00 0.00 H new ATOM 0 HA GLU A 111 -1.628 22.716 -5.990 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -2.647 21.825 -4.010 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -4.190 22.571 -4.374 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -3.127 20.653 -6.400 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -3.635 19.973 -4.866 1.00 0.00 H new ATOM 1607 N VAL A 112 -2.844 22.777 -8.136 1.00 0.00 N ATOM 1608 CA VAL A 112 -3.496 22.869 -9.437 1.00 0.00 C ATOM 1609 C VAL A 112 -3.845 21.486 -9.976 1.00 0.00 C ATOM 1610 O VAL A 112 -3.010 20.583 -9.979 1.00 0.00 O ATOM 1611 CB VAL A 112 -2.607 23.598 -10.461 1.00 0.00 C ATOM 1612 CG1 VAL A 112 -3.374 23.851 -11.750 1.00 0.00 C ATOM 1613 CG2 VAL A 112 -2.082 24.901 -9.879 1.00 0.00 C ATOM 0 H VAL A 112 -1.933 22.319 -8.153 1.00 0.00 H new ATOM 0 HA VAL A 112 -4.412 23.441 -9.291 1.00 0.00 H new ATOM 0 HB VAL A 112 -1.754 22.961 -10.693 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -2.729 24.367 -12.462 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -3.695 22.900 -12.175 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -4.248 24.468 -11.539 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -1.456 25.403 -10.617 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -2.920 25.546 -9.616 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -1.493 24.690 -8.987 1.00 0.00 H new ATOM 1623 N GLU A 113 -5.084 21.330 -10.431 1.00 0.00 N ATOM 1624 CA GLU A 113 -5.543 20.056 -10.972 1.00 0.00 C ATOM 1625 C GLU A 113 -6.218 20.251 -12.327 1.00 0.00 C ATOM 1626 O GLU A 113 -7.283 20.863 -12.419 1.00 0.00 O ATOM 1627 CB GLU A 113 -6.513 19.382 -9.999 1.00 0.00 C ATOM 1628 CG GLU A 113 -7.265 18.209 -10.604 1.00 0.00 C ATOM 1629 CD GLU A 113 -7.951 17.354 -9.556 1.00 0.00 C ATOM 1630 OE1 GLU A 113 -8.499 17.924 -8.590 1.00 0.00 O ATOM 1631 OE2 GLU A 113 -7.941 16.114 -9.704 1.00 0.00 O ATOM 0 H GLU A 113 -5.787 22.069 -10.436 1.00 0.00 H new ATOM 0 HA GLU A 113 -4.672 19.414 -11.108 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.958 19.036 -9.127 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -7.232 20.121 -9.646 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -8.009 18.583 -11.307 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -6.570 17.592 -11.174 1.00 0.00 H new ATOM 1638 N LEU A 114 -5.591 19.728 -13.375 1.00 0.00 N ATOM 1639 CA LEU A 114 -6.131 19.845 -14.725 1.00 0.00 C ATOM 1640 C LEU A 114 -7.427 19.053 -14.864 1.00 0.00 C ATOM 1641 O LEU A 114 -7.472 17.858 -14.567 1.00 0.00 O ATOM 1642 CB LEU A 114 -5.106 19.352 -15.749 1.00 0.00 C ATOM 1643 CG LEU A 114 -5.087 20.091 -17.088 1.00 0.00 C ATOM 1644 CD1 LEU A 114 -6.497 20.240 -17.636 1.00 0.00 C ATOM 1645 CD2 LEU A 114 -4.425 21.453 -16.936 1.00 0.00 C ATOM 0 H LEU A 114 -4.709 19.219 -13.316 1.00 0.00 H new ATOM 0 HA LEU A 114 -6.348 20.896 -14.914 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -4.114 19.423 -15.303 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -5.294 18.296 -15.942 1.00 0.00 H new ATOM 0 HG LEU A 114 -4.504 19.503 -17.797 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -6.463 20.768 -18.589 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.936 19.253 -17.783 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -7.104 20.806 -16.929 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -4.420 21.965 -17.898 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.980 22.048 -16.211 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.400 21.323 -16.589 1.00 0.00 H new ATOM 1657 N LEU A 115 -8.478 19.725 -15.320 1.00 0.00 N ATOM 1658 CA LEU A 115 -9.776 19.083 -15.501 1.00 0.00 C ATOM 1659 C LEU A 115 -10.093 18.906 -16.983 1.00 0.00 C ATOM 1660 O LEU A 115 -10.662 17.893 -17.389 1.00 0.00 O ATOM 1661 CB LEU A 115 -10.874 19.909 -14.828 1.00 0.00 C ATOM 1662 CG LEU A 115 -10.797 20.012 -13.304 1.00 0.00 C ATOM 1663 CD1 LEU A 115 -11.081 21.435 -12.850 1.00 0.00 C ATOM 1664 CD2 LEU A 115 -11.769 19.038 -12.654 1.00 0.00 C ATOM 0 H LEU A 115 -8.457 20.713 -15.571 1.00 0.00 H new ATOM 0 HA LEU A 115 -9.735 18.098 -15.036 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.848 20.917 -15.242 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -11.840 19.479 -15.095 1.00 0.00 H new ATOM 0 HG LEU A 115 -9.787 19.748 -12.992 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -11.022 21.489 -11.763 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -10.345 22.110 -13.287 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -12.080 21.728 -13.174 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -11.701 19.125 -11.570 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -12.785 19.270 -12.973 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.519 18.020 -12.953 1.00 0.00 H new ATOM 1676 N ASP A 116 -9.720 19.897 -17.785 1.00 0.00 N ATOM 1677 CA ASP A 116 -9.962 19.850 -19.222 1.00 0.00 C ATOM 1678 C ASP A 116 -9.083 20.859 -19.955 1.00 0.00 C ATOM 1679 O ASP A 116 -8.542 21.783 -19.347 1.00 0.00 O ATOM 1680 CB ASP A 116 -11.436 20.127 -19.522 1.00 0.00 C ATOM 1681 CG ASP A 116 -11.882 19.526 -20.841 1.00 0.00 C ATOM 1682 OD1 ASP A 116 -11.772 20.218 -21.875 1.00 0.00 O ATOM 1683 OD2 ASP A 116 -12.341 18.365 -20.839 1.00 0.00 O ATOM 0 H ASP A 116 -9.249 20.743 -17.464 1.00 0.00 H new ATOM 0 HA ASP A 116 -9.709 18.850 -19.575 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -12.050 19.724 -18.716 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -11.604 21.204 -19.542 1.00 0.00 H new ATOM 1688 N VAL A 117 -8.943 20.674 -21.264 1.00 0.00 N ATOM 1689 CA VAL A 117 -8.129 21.567 -22.079 1.00 0.00 C ATOM 1690 C VAL A 117 -8.853 21.948 -23.366 1.00 0.00 C ATOM 1691 O VAL A 117 -10.010 21.569 -23.542 1.00 0.00 O ATOM 1692 CB VAL A 117 -6.776 20.924 -22.436 1.00 0.00 C ATOM 1693 CG1 VAL A 117 -6.982 19.542 -23.035 1.00 0.00 C ATOM 1694 CG2 VAL A 117 -5.997 21.817 -23.390 1.00 0.00 C ATOM 0 H VAL A 117 -9.383 19.914 -21.782 1.00 0.00 H new ATOM 0 HA VAL A 117 -7.951 22.464 -21.485 1.00 0.00 H new ATOM 0 HB VAL A 117 -6.194 20.813 -21.521 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -6.015 19.104 -23.281 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -7.496 18.906 -22.314 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -7.584 19.624 -23.940 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -5.044 21.347 -23.632 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -6.572 21.962 -24.304 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -5.816 22.783 -22.918 1.00 0.00 H new