USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 814 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 88 MET CE :methyl -153:sc= -1.73 (180deg=-4.19!) USER MOD Set 1.2: A 100 GLN : amide:sc= -0.4 K(o=-2.1,f=-8.3) USER MOD Set 2.1: A 73 THR OG1 : rot -146:sc= 1.33 USER MOD Set 2.2: A 83 CYS SG : rot 180:sc= 0.414 USER MOD Single : A 17 GLN : amide:sc= -0.537 X(o=-0.54,f=-0.68) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -69:sc= 0.00604 USER MOD Single : A 26 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= -1.52 USER MOD Single : A 39 TYR OH : rot 44:sc= 0.848 USER MOD Single : A 43 HIS : no HD1:sc= -2.15 K(o=-2.1,f=-4!) USER MOD Single : A 44 HIS : no HD1:sc= -6.26! C(o=-6.3!,f=-6.8!) USER MOD Single : A 52 LYS NZ :NH3+ -111:sc= -3.51! (180deg=-5.42!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 170:sc= -0.233 (180deg=-0.285) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 160:sc= -1.56 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= -0.198 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -135:sc= 0.812 (180deg=-0.199) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 172:sc= -0.74 (180deg=-1.17) USER MOD Single : A 115 TYR OH : rot 30:sc= -0.397 USER MOD Single : A 120 THR OG1 : rot 180:sc=-0.000317 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 156 N GLU A 11 -10.682 11.397 1.255 1.00 0.00 N ATOM 157 CA GLU A 11 -9.633 12.254 1.874 1.00 0.00 C ATOM 158 C GLU A 11 -8.680 11.381 2.691 1.00 0.00 C ATOM 159 O GLU A 11 -7.498 11.652 2.782 1.00 0.00 O ATOM 160 CB GLU A 11 -10.293 13.287 2.790 1.00 0.00 C ATOM 161 CG GLU A 11 -10.796 14.465 1.952 1.00 0.00 C ATOM 162 CD GLU A 11 -9.948 15.704 2.249 1.00 0.00 C ATOM 163 OE1 GLU A 11 -9.546 15.862 3.390 1.00 0.00 O ATOM 164 OE2 GLU A 11 -9.715 16.472 1.332 1.00 0.00 O ATOM 0 HA GLU A 11 -9.074 12.768 1.092 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.122 12.832 3.331 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.579 13.636 3.536 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -10.741 14.220 0.891 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -11.843 14.665 2.179 1.00 0.00 H new ATOM 171 N GLU A 12 -9.181 10.333 3.285 1.00 0.00 N ATOM 172 CA GLU A 12 -8.303 9.441 4.093 1.00 0.00 C ATOM 173 C GLU A 12 -7.224 8.839 3.190 1.00 0.00 C ATOM 174 O GLU A 12 -6.045 8.938 3.467 1.00 0.00 O ATOM 175 CB GLU A 12 -9.142 8.318 4.706 1.00 0.00 C ATOM 176 CG GLU A 12 -10.401 8.909 5.341 1.00 0.00 C ATOM 177 CD GLU A 12 -10.035 9.598 6.656 1.00 0.00 C ATOM 178 OE1 GLU A 12 -9.030 9.224 7.239 1.00 0.00 O ATOM 179 OE2 GLU A 12 -10.764 10.488 7.061 1.00 0.00 O ATOM 0 H GLU A 12 -10.162 10.056 3.245 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.832 10.017 4.890 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.415 7.593 3.939 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.560 7.783 5.457 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.863 9.624 4.660 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.133 8.122 5.522 1.00 0.00 H new ATOM 186 N LEU A 13 -7.618 8.220 2.110 1.00 0.00 N ATOM 187 CA LEU A 13 -6.612 7.618 1.191 1.00 0.00 C ATOM 188 C LEU A 13 -5.575 8.678 0.815 1.00 0.00 C ATOM 189 O LEU A 13 -4.384 8.460 0.914 1.00 0.00 O ATOM 190 CB LEU A 13 -7.310 7.120 -0.077 1.00 0.00 C ATOM 191 CG LEU A 13 -8.520 6.265 0.302 1.00 0.00 C ATOM 192 CD1 LEU A 13 -9.493 6.210 -0.877 1.00 0.00 C ATOM 193 CD2 LEU A 13 -8.056 4.847 0.644 1.00 0.00 C ATOM 0 H LEU A 13 -8.591 8.106 1.825 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.120 6.781 1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.627 7.967 -0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.615 6.536 -0.681 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.018 6.703 1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.356 5.601 -0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.824 7.219 -1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.994 5.771 -1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.918 4.237 0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.558 4.409 -0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.361 4.884 1.483 1.00 0.00 H new ATOM 205 N ILE A 14 -6.021 9.826 0.386 1.00 0.00 N ATOM 206 CA ILE A 14 -5.065 10.903 0.004 1.00 0.00 C ATOM 207 C ILE A 14 -4.194 11.266 1.209 1.00 0.00 C ATOM 208 O ILE A 14 -3.056 11.665 1.066 1.00 0.00 O ATOM 209 CB ILE A 14 -5.845 12.137 -0.451 1.00 0.00 C ATOM 210 CG1 ILE A 14 -6.699 11.776 -1.669 1.00 0.00 C ATOM 211 CG2 ILE A 14 -4.866 13.251 -0.829 1.00 0.00 C ATOM 212 CD1 ILE A 14 -7.735 12.874 -1.911 1.00 0.00 C ATOM 0 H ILE A 14 -7.007 10.065 0.283 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.430 10.553 -0.810 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.489 12.479 0.359 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.066 11.659 -2.548 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.198 10.821 -1.506 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.423 14.130 -1.153 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.255 13.507 0.036 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.222 12.910 -1.640 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.343 12.616 -2.778 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -8.376 12.969 -1.034 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.226 13.821 -2.093 1.00 0.00 H new ATOM 224 N GLU A 15 -4.721 11.132 2.396 1.00 0.00 N ATOM 225 CA GLU A 15 -3.923 11.472 3.608 1.00 0.00 C ATOM 226 C GLU A 15 -2.706 10.548 3.695 1.00 0.00 C ATOM 227 O GLU A 15 -1.578 10.980 3.573 1.00 0.00 O ATOM 228 CB GLU A 15 -4.791 11.293 4.856 1.00 0.00 C ATOM 229 CG GLU A 15 -4.694 12.545 5.730 1.00 0.00 C ATOM 230 CD GLU A 15 -3.255 12.716 6.220 1.00 0.00 C ATOM 231 OE1 GLU A 15 -2.451 11.838 5.953 1.00 0.00 O ATOM 232 OE2 GLU A 15 -2.981 13.722 6.852 1.00 0.00 O ATOM 0 H GLU A 15 -5.669 10.802 2.578 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.588 12.507 3.544 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.828 11.117 4.569 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.463 10.418 5.418 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.003 13.423 5.162 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.371 12.461 6.580 1.00 0.00 H new ATOM 239 N ILE A 16 -2.926 9.280 3.909 1.00 0.00 N ATOM 240 CA ILE A 16 -1.781 8.331 4.007 1.00 0.00 C ATOM 241 C ILE A 16 -0.873 8.492 2.786 1.00 0.00 C ATOM 242 O ILE A 16 0.338 8.478 2.895 1.00 0.00 O ATOM 243 CB ILE A 16 -2.310 6.896 4.062 1.00 0.00 C ATOM 244 CG1 ILE A 16 -3.376 6.788 5.156 1.00 0.00 C ATOM 245 CG2 ILE A 16 -1.158 5.936 4.376 1.00 0.00 C ATOM 246 CD1 ILE A 16 -4.145 5.476 4.993 1.00 0.00 C ATOM 0 H ILE A 16 -3.849 8.860 4.020 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.212 8.545 4.912 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.748 6.634 3.099 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.908 6.827 6.140 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.061 7.633 5.095 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.536 4.914 4.415 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.398 6.012 3.598 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.719 6.197 5.339 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.904 5.400 5.772 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.626 5.455 4.015 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.454 4.637 5.076 1.00 0.00 H new ATOM 258 N GLN A 17 -1.445 8.644 1.623 1.00 0.00 N ATOM 259 CA GLN A 17 -0.613 8.803 0.395 1.00 0.00 C ATOM 260 C GLN A 17 0.271 10.045 0.529 1.00 0.00 C ATOM 261 O GLN A 17 1.482 9.963 0.489 1.00 0.00 O ATOM 262 CB GLN A 17 -1.526 8.958 -0.822 1.00 0.00 C ATOM 263 CG GLN A 17 -0.683 8.961 -2.098 1.00 0.00 C ATOM 264 CD GLN A 17 -0.408 7.520 -2.535 1.00 0.00 C ATOM 265 OE1 GLN A 17 0.452 6.860 -1.987 1.00 0.00 O ATOM 266 NE2 GLN A 17 -1.109 7.001 -3.506 1.00 0.00 N ATOM 0 H GLN A 17 -2.453 8.665 1.469 1.00 0.00 H new ATOM 0 HA GLN A 17 0.017 7.923 0.270 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.249 8.143 -0.853 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.094 9.885 -0.747 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.205 9.498 -2.890 1.00 0.00 H new ATOM 0 HG3 GLN A 17 0.257 9.485 -1.924 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.831 7.555 -3.966 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.935 6.041 -3.804 1.00 0.00 H new ATOM 275 N LYS A 18 -0.325 11.197 0.681 1.00 0.00 N ATOM 276 CA LYS A 18 0.483 12.442 0.811 1.00 0.00 C ATOM 277 C LYS A 18 1.703 12.169 1.693 1.00 0.00 C ATOM 278 O LYS A 18 2.822 12.479 1.335 1.00 0.00 O ATOM 279 CB LYS A 18 -0.372 13.543 1.447 1.00 0.00 C ATOM 280 CG LYS A 18 -0.373 14.781 0.545 1.00 0.00 C ATOM 281 CD LYS A 18 -0.738 16.017 1.371 1.00 0.00 C ATOM 282 CE LYS A 18 -2.228 15.980 1.717 1.00 0.00 C ATOM 283 NZ LYS A 18 -2.600 17.231 2.440 1.00 0.00 N ATOM 0 H LYS A 18 -1.336 11.329 0.721 1.00 0.00 H new ATOM 0 HA LYS A 18 0.814 12.765 -0.176 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.392 13.186 1.593 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.020 13.799 2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.608 14.912 0.089 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.087 14.651 -0.268 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.143 16.046 2.284 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.507 16.923 0.811 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.821 15.882 0.808 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.447 15.110 2.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.613 17.208 2.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.042 17.305 3.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.405 18.053 1.834 1.00 0.00 H new ATOM 297 N GLU A 19 1.496 11.592 2.845 1.00 0.00 N ATOM 298 CA GLU A 19 2.644 11.302 3.749 1.00 0.00 C ATOM 299 C GLU A 19 3.591 10.307 3.074 1.00 0.00 C ATOM 300 O GLU A 19 4.784 10.524 3.002 1.00 0.00 O ATOM 301 CB GLU A 19 2.122 10.705 5.057 1.00 0.00 C ATOM 302 CG GLU A 19 1.190 11.709 5.737 1.00 0.00 C ATOM 303 CD GLU A 19 1.982 12.537 6.752 1.00 0.00 C ATOM 304 OE1 GLU A 19 3.048 13.011 6.397 1.00 0.00 O ATOM 305 OE2 GLU A 19 1.508 12.683 7.866 1.00 0.00 O ATOM 0 H GLU A 19 0.582 11.309 3.199 1.00 0.00 H new ATOM 0 HA GLU A 19 3.183 12.226 3.960 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.590 9.775 4.858 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.955 10.461 5.716 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.738 12.364 4.992 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.376 11.184 6.237 1.00 0.00 H new ATOM 312 N GLU A 20 3.070 9.218 2.577 1.00 0.00 N ATOM 313 CA GLU A 20 3.945 8.216 1.907 1.00 0.00 C ATOM 314 C GLU A 20 4.841 8.925 0.891 1.00 0.00 C ATOM 315 O GLU A 20 6.051 8.925 1.010 1.00 0.00 O ATOM 316 CB GLU A 20 3.081 7.177 1.188 1.00 0.00 C ATOM 317 CG GLU A 20 3.952 5.991 0.772 1.00 0.00 C ATOM 318 CD GLU A 20 3.101 4.975 0.008 1.00 0.00 C ATOM 319 OE1 GLU A 20 2.301 4.306 0.641 1.00 0.00 O ATOM 320 OE2 GLU A 20 3.265 4.883 -1.198 1.00 0.00 O ATOM 0 H GLU A 20 2.079 8.980 2.606 1.00 0.00 H new ATOM 0 HA GLU A 20 4.562 7.717 2.654 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.278 6.840 1.843 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.611 7.623 0.311 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.777 6.334 0.147 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.392 5.523 1.653 1.00 0.00 H new ATOM 327 N THR A 21 4.261 9.530 -0.108 1.00 0.00 N ATOM 328 CA THR A 21 5.085 10.240 -1.126 1.00 0.00 C ATOM 329 C THR A 21 6.194 11.024 -0.422 1.00 0.00 C ATOM 330 O THR A 21 7.359 10.880 -0.728 1.00 0.00 O ATOM 331 CB THR A 21 4.200 11.202 -1.921 1.00 0.00 C ATOM 332 OG1 THR A 21 3.060 10.505 -2.405 1.00 0.00 O ATOM 333 CG2 THR A 21 4.990 11.771 -3.101 1.00 0.00 C ATOM 0 H THR A 21 3.253 9.564 -0.264 1.00 0.00 H new ATOM 0 HA THR A 21 5.529 9.514 -1.807 1.00 0.00 H new ATOM 0 HB THR A 21 3.880 12.019 -1.274 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.335 9.871 -3.100 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.358 12.456 -3.666 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.864 12.307 -2.730 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.312 10.956 -3.750 1.00 0.00 H new ATOM 341 N ARG A 22 5.841 11.852 0.522 1.00 0.00 N ATOM 342 CA ARG A 22 6.879 12.642 1.244 1.00 0.00 C ATOM 343 C ARG A 22 8.064 11.735 1.578 1.00 0.00 C ATOM 344 O ARG A 22 9.209 12.099 1.393 1.00 0.00 O ATOM 345 CB ARG A 22 6.286 13.204 2.537 1.00 0.00 C ATOM 346 CG ARG A 22 7.319 14.103 3.223 1.00 0.00 C ATOM 347 CD ARG A 22 6.606 15.118 4.122 1.00 0.00 C ATOM 348 NE ARG A 22 6.200 14.459 5.394 1.00 0.00 N ATOM 349 CZ ARG A 22 5.846 15.184 6.420 1.00 0.00 C ATOM 350 NH1 ARG A 22 5.842 16.487 6.329 1.00 0.00 N ATOM 351 NH2 ARG A 22 5.492 14.609 7.537 1.00 0.00 N ATOM 0 H ARG A 22 4.881 12.016 0.825 1.00 0.00 H new ATOM 0 HA ARG A 22 7.215 13.465 0.613 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.382 13.772 2.318 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.998 12.390 3.202 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.006 13.498 3.815 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.917 14.623 2.474 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.266 15.960 4.331 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.730 15.518 3.612 1.00 0.00 H new ATOM 0 HE ARG A 22 6.199 13.441 5.464 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.116 16.938 5.456 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.565 17.053 7.131 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.492 13.592 7.609 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.216 15.177 8.338 1.00 0.00 H new ATOM 365 N ASP A 23 7.799 10.555 2.070 1.00 0.00 N ATOM 366 CA ASP A 23 8.910 9.625 2.415 1.00 0.00 C ATOM 367 C ASP A 23 9.684 9.262 1.146 1.00 0.00 C ATOM 368 O ASP A 23 10.894 9.156 1.155 1.00 0.00 O ATOM 369 CB ASP A 23 8.332 8.354 3.042 1.00 0.00 C ATOM 370 CG ASP A 23 7.329 8.734 4.134 1.00 0.00 C ATOM 371 OD1 ASP A 23 7.450 9.823 4.669 1.00 0.00 O ATOM 372 OD2 ASP A 23 6.458 7.927 4.416 1.00 0.00 O ATOM 0 H ASP A 23 6.861 10.196 2.248 1.00 0.00 H new ATOM 0 HA ASP A 23 9.583 10.108 3.124 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.843 7.749 2.279 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.133 7.747 3.464 1.00 0.00 H new ATOM 377 N ILE A 24 8.996 9.070 0.053 1.00 0.00 N ATOM 378 CA ILE A 24 9.695 8.717 -1.215 1.00 0.00 C ATOM 379 C ILE A 24 10.482 9.928 -1.715 1.00 0.00 C ATOM 380 O ILE A 24 11.695 9.906 -1.785 1.00 0.00 O ATOM 381 CB ILE A 24 8.666 8.308 -2.270 1.00 0.00 C ATOM 382 CG1 ILE A 24 8.080 6.941 -1.909 1.00 0.00 C ATOM 383 CG2 ILE A 24 9.345 8.224 -3.639 1.00 0.00 C ATOM 384 CD1 ILE A 24 6.706 6.787 -2.564 1.00 0.00 C ATOM 0 H ILE A 24 7.981 9.142 -0.016 1.00 0.00 H new ATOM 0 HA ILE A 24 10.378 7.887 -1.034 1.00 0.00 H new ATOM 0 HB ILE A 24 7.867 9.049 -2.304 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.747 6.147 -2.246 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.992 6.845 -0.827 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.612 7.933 -4.391 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.764 9.197 -3.898 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.144 7.483 -3.604 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.288 5.814 -2.308 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.042 7.573 -2.205 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.808 6.864 -3.646 1.00 0.00 H new ATOM 396 N ILE A 25 9.803 10.986 -2.063 1.00 0.00 N ATOM 397 CA ILE A 25 10.516 12.198 -2.556 1.00 0.00 C ATOM 398 C ILE A 25 11.773 12.419 -1.714 1.00 0.00 C ATOM 399 O ILE A 25 12.837 12.700 -2.230 1.00 0.00 O ATOM 400 CB ILE A 25 9.598 13.417 -2.432 1.00 0.00 C ATOM 401 CG1 ILE A 25 8.214 13.069 -2.984 1.00 0.00 C ATOM 402 CG2 ILE A 25 10.186 14.586 -3.227 1.00 0.00 C ATOM 403 CD1 ILE A 25 8.357 12.483 -4.389 1.00 0.00 C ATOM 0 H ILE A 25 8.787 11.064 -2.027 1.00 0.00 H new ATOM 0 HA ILE A 25 10.794 12.060 -3.601 1.00 0.00 H new ATOM 0 HB ILE A 25 9.512 13.701 -1.383 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.719 12.352 -2.328 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.588 13.961 -3.012 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.531 15.453 -3.138 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.172 14.834 -2.834 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.274 14.305 -4.276 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.371 12.235 -4.782 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.834 13.214 -5.041 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.968 11.581 -4.347 1.00 0.00 H new ATOM 415 N GLN A 26 11.657 12.292 -0.420 1.00 0.00 N ATOM 416 CA GLN A 26 12.843 12.492 0.459 1.00 0.00 C ATOM 417 C GLN A 26 13.966 11.549 0.020 1.00 0.00 C ATOM 418 O GLN A 26 15.049 11.976 -0.327 1.00 0.00 O ATOM 419 CB GLN A 26 12.460 12.185 1.907 1.00 0.00 C ATOM 420 CG GLN A 26 11.625 13.337 2.470 1.00 0.00 C ATOM 421 CD GLN A 26 12.538 14.315 3.212 1.00 0.00 C ATOM 422 OE1 GLN A 26 13.745 14.530 2.764 1.00 0.00 O flip ATOM 423 NE2 GLN A 26 12.150 14.888 4.210 1.00 0.00 N flip ATOM 0 H GLN A 26 10.791 12.058 0.066 1.00 0.00 H new ATOM 0 HA GLN A 26 13.183 13.525 0.383 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.894 11.255 1.955 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.357 12.044 2.510 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.104 13.851 1.662 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.862 12.951 3.146 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.207 14.720 4.560 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.767 15.537 4.698 1.00 0.00 H new ATOM 432 N ALA A 27 13.716 10.268 0.033 1.00 0.00 N ATOM 433 CA ALA A 27 14.768 9.300 -0.381 1.00 0.00 C ATOM 434 C ALA A 27 15.421 9.778 -1.680 1.00 0.00 C ATOM 435 O ALA A 27 16.586 10.125 -1.707 1.00 0.00 O ATOM 436 CB ALA A 27 14.136 7.925 -0.604 1.00 0.00 C ATOM 0 H ALA A 27 12.828 9.851 0.313 1.00 0.00 H new ATOM 0 HA ALA A 27 15.524 9.230 0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.906 7.216 -0.907 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.672 7.583 0.321 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.379 7.995 -1.385 1.00 0.00 H new ATOM 442 N LEU A 28 14.685 9.799 -2.758 1.00 0.00 N ATOM 443 CA LEU A 28 15.274 10.254 -4.048 1.00 0.00 C ATOM 444 C LEU A 28 16.129 11.499 -3.804 1.00 0.00 C ATOM 445 O LEU A 28 17.332 11.475 -3.965 1.00 0.00 O ATOM 446 CB LEU A 28 14.153 10.590 -5.037 1.00 0.00 C ATOM 447 CG LEU A 28 13.203 9.396 -5.163 1.00 0.00 C ATOM 448 CD1 LEU A 28 11.848 9.872 -5.689 1.00 0.00 C ATOM 449 CD2 LEU A 28 13.793 8.372 -6.137 1.00 0.00 C ATOM 0 H LEU A 28 13.704 9.522 -2.801 1.00 0.00 H new ATOM 0 HA LEU A 28 15.894 9.460 -4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.605 11.469 -4.696 1.00 0.00 H new ATOM 0 HB3 LEU A 28 14.576 10.836 -6.011 1.00 0.00 H new ATOM 0 HG LEU A 28 13.072 8.935 -4.184 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.173 9.021 -5.778 1.00 0.00 H new ATOM 0 HD12 LEU A 28 11.425 10.600 -4.997 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.980 10.335 -6.667 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.116 7.522 -6.226 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.925 8.834 -7.115 1.00 0.00 H new ATOM 0 HD23 LEU A 28 14.758 8.029 -5.764 1.00 0.00 H new ATOM 461 N LEU A 29 15.520 12.585 -3.412 1.00 0.00 N ATOM 462 CA LEU A 29 16.304 13.827 -3.157 1.00 0.00 C ATOM 463 C LEU A 29 17.665 13.456 -2.564 1.00 0.00 C ATOM 464 O LEU A 29 18.699 13.870 -3.051 1.00 0.00 O ATOM 465 CB LEU A 29 15.546 14.718 -2.170 1.00 0.00 C ATOM 466 CG LEU A 29 14.884 15.876 -2.919 1.00 0.00 C ATOM 467 CD1 LEU A 29 15.939 16.924 -3.283 1.00 0.00 C ATOM 468 CD2 LEU A 29 14.225 15.348 -4.197 1.00 0.00 C ATOM 0 H LEU A 29 14.515 12.666 -3.257 1.00 0.00 H new ATOM 0 HA LEU A 29 16.447 14.364 -4.095 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.791 14.134 -1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.231 15.105 -1.416 1.00 0.00 H new ATOM 0 HG LEU A 29 14.127 16.333 -2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.465 17.748 -3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 29 16.406 17.302 -2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 29 16.699 16.470 -3.919 1.00 0.00 H new ATOM 0 HD21 LEU A 29 13.753 16.173 -4.731 1.00 0.00 H new ATOM 0 HD22 LEU A 29 14.982 14.889 -4.834 1.00 0.00 H new ATOM 0 HD23 LEU A 29 13.471 14.605 -3.937 1.00 0.00 H new ATOM 480 N GLU A 30 17.673 12.675 -1.519 1.00 0.00 N ATOM 481 CA GLU A 30 18.967 12.276 -0.897 1.00 0.00 C ATOM 482 C GLU A 30 19.801 11.499 -1.919 1.00 0.00 C ATOM 483 O GLU A 30 21.010 11.613 -1.964 1.00 0.00 O ATOM 484 CB GLU A 30 18.695 11.391 0.321 1.00 0.00 C ATOM 485 CG GLU A 30 20.008 11.118 1.058 1.00 0.00 C ATOM 486 CD GLU A 30 19.846 9.884 1.948 1.00 0.00 C ATOM 487 OE1 GLU A 30 19.459 8.850 1.429 1.00 0.00 O ATOM 488 OE2 GLU A 30 20.111 9.995 3.134 1.00 0.00 O ATOM 0 H GLU A 30 16.840 12.296 -1.069 1.00 0.00 H new ATOM 0 HA GLU A 30 19.512 13.166 -0.583 1.00 0.00 H new ATOM 0 HB2 GLU A 30 17.986 11.881 0.989 1.00 0.00 H new ATOM 0 HB3 GLU A 30 18.240 10.452 0.007 1.00 0.00 H new ATOM 0 HG2 GLU A 30 20.814 10.959 0.341 1.00 0.00 H new ATOM 0 HG3 GLU A 30 20.285 11.982 1.662 1.00 0.00 H new ATOM 495 N ASP A 31 19.164 10.712 -2.741 1.00 0.00 N ATOM 496 CA ASP A 31 19.919 9.930 -3.762 1.00 0.00 C ATOM 497 C ASP A 31 19.142 9.926 -5.079 1.00 0.00 C ATOM 498 O ASP A 31 18.812 8.887 -5.614 1.00 0.00 O ATOM 499 CB ASP A 31 20.100 8.492 -3.272 1.00 0.00 C ATOM 500 CG ASP A 31 20.501 8.502 -1.796 1.00 0.00 C ATOM 501 OD1 ASP A 31 21.516 9.102 -1.481 1.00 0.00 O ATOM 502 OD2 ASP A 31 19.786 7.909 -1.004 1.00 0.00 O ATOM 0 H ASP A 31 18.153 10.576 -2.751 1.00 0.00 H new ATOM 0 HA ASP A 31 20.896 10.386 -3.919 1.00 0.00 H new ATOM 0 HB2 ASP A 31 19.174 7.932 -3.404 1.00 0.00 H new ATOM 0 HB3 ASP A 31 20.864 7.988 -3.864 1.00 0.00 H new ATOM 507 N GLY A 32 18.847 11.082 -5.605 1.00 0.00 N ATOM 508 CA GLY A 32 18.092 11.149 -6.888 1.00 0.00 C ATOM 509 C GLY A 32 17.601 12.579 -7.124 1.00 0.00 C ATOM 510 O GLY A 32 16.571 12.798 -7.729 1.00 0.00 O ATOM 0 H GLY A 32 19.096 11.985 -5.201 1.00 0.00 H new ATOM 0 HA2 GLY A 32 18.730 10.832 -7.713 1.00 0.00 H new ATOM 0 HA3 GLY A 32 17.245 10.464 -6.859 1.00 0.00 H new ATOM 514 N SER A 33 18.329 13.555 -6.651 1.00 0.00 N ATOM 515 CA SER A 33 17.899 14.968 -6.851 1.00 0.00 C ATOM 516 C SER A 33 17.865 15.285 -8.346 1.00 0.00 C ATOM 517 O SER A 33 17.088 14.723 -9.093 1.00 0.00 O ATOM 518 CB SER A 33 18.887 15.905 -6.155 1.00 0.00 C ATOM 519 OG SER A 33 18.454 17.249 -6.317 1.00 0.00 O ATOM 0 H SER A 33 19.201 13.435 -6.136 1.00 0.00 H new ATOM 0 HA SER A 33 16.904 15.107 -6.427 1.00 0.00 H new ATOM 0 HB2 SER A 33 18.955 15.658 -5.096 1.00 0.00 H new ATOM 0 HB3 SER A 33 19.884 15.779 -6.577 1.00 0.00 H new ATOM 0 HG SER A 33 19.084 17.852 -5.870 1.00 0.00 H new ATOM 525 N ASP A 34 18.700 16.184 -8.791 1.00 0.00 N ATOM 526 CA ASP A 34 18.716 16.541 -10.237 1.00 0.00 C ATOM 527 C ASP A 34 17.281 16.745 -10.729 1.00 0.00 C ATOM 528 O ASP A 34 16.872 16.189 -11.730 1.00 0.00 O ATOM 529 CB ASP A 34 19.376 15.412 -11.034 1.00 0.00 C ATOM 530 CG ASP A 34 20.355 16.008 -12.047 1.00 0.00 C ATOM 531 OD1 ASP A 34 21.187 16.803 -11.641 1.00 0.00 O ATOM 532 OD2 ASP A 34 20.256 15.658 -13.211 1.00 0.00 O ATOM 0 H ASP A 34 19.373 16.688 -8.213 1.00 0.00 H new ATOM 0 HA ASP A 34 19.281 17.462 -10.378 1.00 0.00 H new ATOM 0 HB2 ASP A 34 19.901 14.735 -10.360 1.00 0.00 H new ATOM 0 HB3 ASP A 34 18.616 14.824 -11.549 1.00 0.00 H new ATOM 537 N PRO A 35 16.525 17.544 -10.026 1.00 0.00 N ATOM 538 CA PRO A 35 15.108 17.840 -10.386 1.00 0.00 C ATOM 539 C PRO A 35 15.006 18.657 -11.676 1.00 0.00 C ATOM 540 O PRO A 35 13.933 18.870 -12.207 1.00 0.00 O ATOM 541 CB PRO A 35 14.584 18.650 -9.198 1.00 0.00 C ATOM 542 CG PRO A 35 15.794 19.229 -8.544 1.00 0.00 C ATOM 543 CD PRO A 35 16.942 18.257 -8.810 1.00 0.00 C ATOM 0 HA PRO A 35 14.538 16.929 -10.570 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.903 19.435 -9.528 1.00 0.00 H new ATOM 0 HB3 PRO A 35 14.029 18.017 -8.506 1.00 0.00 H new ATOM 0 HG2 PRO A 35 16.019 20.215 -8.950 1.00 0.00 H new ATOM 0 HG3 PRO A 35 15.633 19.355 -7.473 1.00 0.00 H new ATOM 0 HD2 PRO A 35 17.885 18.783 -8.959 1.00 0.00 H new ATOM 0 HD3 PRO A 35 17.087 17.572 -7.975 1.00 0.00 H new ATOM 551 N ASP A 36 16.117 19.115 -12.186 1.00 0.00 N ATOM 552 CA ASP A 36 16.088 19.915 -13.441 1.00 0.00 C ATOM 553 C ASP A 36 16.028 18.970 -14.642 1.00 0.00 C ATOM 554 O ASP A 36 16.068 19.394 -15.779 1.00 0.00 O ATOM 555 CB ASP A 36 17.351 20.775 -13.530 1.00 0.00 C ATOM 556 CG ASP A 36 18.580 19.909 -13.245 1.00 0.00 C ATOM 557 OD1 ASP A 36 18.691 18.857 -13.852 1.00 0.00 O ATOM 558 OD2 ASP A 36 19.389 20.314 -12.427 1.00 0.00 O ATOM 0 H ASP A 36 17.044 18.969 -11.786 1.00 0.00 H new ATOM 0 HA ASP A 36 15.210 20.562 -13.441 1.00 0.00 H new ATOM 0 HB2 ASP A 36 17.430 21.222 -14.521 1.00 0.00 H new ATOM 0 HB3 ASP A 36 17.297 21.595 -12.814 1.00 0.00 H new ATOM 563 N ALA A 37 15.933 17.691 -14.398 1.00 0.00 N ATOM 564 CA ALA A 37 15.870 16.723 -15.528 1.00 0.00 C ATOM 565 C ALA A 37 14.409 16.395 -15.833 1.00 0.00 C ATOM 566 O ALA A 37 13.678 17.208 -16.363 1.00 0.00 O ATOM 567 CB ALA A 37 16.612 15.441 -15.144 1.00 0.00 C ATOM 0 H ALA A 37 15.896 17.276 -13.467 1.00 0.00 H new ATOM 0 HA ALA A 37 16.337 17.161 -16.410 1.00 0.00 H new ATOM 0 HB1 ALA A 37 16.566 14.732 -15.971 1.00 0.00 H new ATOM 0 HB2 ALA A 37 17.654 15.675 -14.924 1.00 0.00 H new ATOM 0 HB3 ALA A 37 16.146 15.001 -14.263 1.00 0.00 H new ATOM 573 N LEU A 38 13.976 15.210 -15.501 1.00 0.00 N ATOM 574 CA LEU A 38 12.561 14.833 -15.770 1.00 0.00 C ATOM 575 C LEU A 38 12.232 13.537 -15.028 1.00 0.00 C ATOM 576 O LEU A 38 13.062 12.660 -14.893 1.00 0.00 O ATOM 577 CB LEU A 38 12.361 14.629 -17.274 1.00 0.00 C ATOM 578 CG LEU A 38 11.230 15.532 -17.768 1.00 0.00 C ATOM 579 CD1 LEU A 38 11.238 15.574 -19.297 1.00 0.00 C ATOM 580 CD2 LEU A 38 9.887 14.983 -17.281 1.00 0.00 C ATOM 0 H LEU A 38 14.541 14.487 -15.055 1.00 0.00 H new ATOM 0 HA LEU A 38 11.900 15.628 -15.424 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.283 14.859 -17.808 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.124 13.586 -17.481 1.00 0.00 H new ATOM 0 HG LEU A 38 11.375 16.539 -17.377 1.00 0.00 H new ATOM 0 HD11 LEU A 38 10.431 16.218 -19.648 1.00 0.00 H new ATOM 0 HD12 LEU A 38 12.193 15.967 -19.645 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.095 14.567 -19.689 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.081 15.627 -17.633 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.743 13.975 -17.671 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.879 14.955 -16.191 1.00 0.00 H new ATOM 592 N TYR A 39 11.028 13.411 -14.543 1.00 0.00 N ATOM 593 CA TYR A 39 10.647 12.174 -13.808 1.00 0.00 C ATOM 594 C TYR A 39 9.371 11.591 -14.419 1.00 0.00 C ATOM 595 O TYR A 39 8.370 12.268 -14.553 1.00 0.00 O ATOM 596 CB TYR A 39 10.397 12.516 -12.337 1.00 0.00 C ATOM 597 CG TYR A 39 11.606 12.136 -11.516 1.00 0.00 C ATOM 598 CD1 TYR A 39 12.780 12.895 -11.600 1.00 0.00 C ATOM 599 CD2 TYR A 39 11.552 11.024 -10.668 1.00 0.00 C ATOM 600 CE1 TYR A 39 13.898 12.542 -10.835 1.00 0.00 C ATOM 601 CE2 TYR A 39 12.670 10.671 -9.903 1.00 0.00 C ATOM 602 CZ TYR A 39 13.843 11.430 -9.987 1.00 0.00 C ATOM 603 OH TYR A 39 14.945 11.082 -9.232 1.00 0.00 O ATOM 0 H TYR A 39 10.291 14.112 -14.624 1.00 0.00 H new ATOM 0 HA TYR A 39 11.452 11.443 -13.882 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.193 13.581 -12.231 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.517 11.985 -11.974 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.823 13.753 -12.255 1.00 0.00 H new ATOM 0 HD2 TYR A 39 10.647 10.438 -10.604 1.00 0.00 H new ATOM 0 HE1 TYR A 39 14.803 13.128 -10.899 1.00 0.00 H new ATOM 0 HE2 TYR A 39 12.627 9.813 -9.248 1.00 0.00 H new ATOM 0 HH TYR A 39 15.331 11.886 -8.827 1.00 0.00 H new ATOM 613 N GLU A 40 9.395 10.340 -14.793 1.00 0.00 N ATOM 614 CA GLU A 40 8.180 9.721 -15.393 1.00 0.00 C ATOM 615 C GLU A 40 7.435 8.924 -14.320 1.00 0.00 C ATOM 616 O GLU A 40 7.971 8.010 -13.726 1.00 0.00 O ATOM 617 CB GLU A 40 8.590 8.784 -16.534 1.00 0.00 C ATOM 618 CG GLU A 40 9.953 8.161 -16.223 1.00 0.00 C ATOM 619 CD GLU A 40 10.212 6.999 -17.184 1.00 0.00 C ATOM 620 OE1 GLU A 40 9.357 6.135 -17.283 1.00 0.00 O ATOM 621 OE2 GLU A 40 11.262 6.993 -17.805 1.00 0.00 O ATOM 0 H GLU A 40 10.202 9.722 -14.709 1.00 0.00 H new ATOM 0 HA GLU A 40 7.530 10.503 -15.785 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.842 8.002 -16.662 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.637 9.336 -17.472 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.739 8.910 -16.321 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.977 7.807 -15.192 1.00 0.00 H new ATOM 628 N ILE A 41 6.204 9.271 -14.061 1.00 0.00 N ATOM 629 CA ILE A 41 5.426 8.540 -13.022 1.00 0.00 C ATOM 630 C ILE A 41 4.598 7.431 -13.674 1.00 0.00 C ATOM 631 O ILE A 41 4.151 7.553 -14.798 1.00 0.00 O ATOM 632 CB ILE A 41 4.489 9.516 -12.310 1.00 0.00 C ATOM 633 CG1 ILE A 41 5.292 10.364 -11.320 1.00 0.00 C ATOM 634 CG2 ILE A 41 3.414 8.731 -11.556 1.00 0.00 C ATOM 635 CD1 ILE A 41 6.470 11.016 -12.044 1.00 0.00 C ATOM 0 H ILE A 41 5.704 10.029 -14.524 1.00 0.00 H new ATOM 0 HA ILE A 41 6.116 8.098 -12.303 1.00 0.00 H new ATOM 0 HB ILE A 41 4.015 10.167 -13.044 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.653 11.130 -10.879 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.654 9.741 -10.502 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.745 9.426 -11.048 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.843 8.127 -12.261 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.887 8.080 -10.821 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.041 11.620 -11.339 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.113 10.242 -12.463 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.097 11.652 -12.847 1.00 0.00 H new ATOM 647 N GLU A 42 4.385 6.352 -12.971 1.00 0.00 N ATOM 648 CA GLU A 42 3.579 5.235 -13.539 1.00 0.00 C ATOM 649 C GLU A 42 2.415 4.927 -12.594 1.00 0.00 C ATOM 650 O GLU A 42 2.609 4.465 -11.486 1.00 0.00 O ATOM 651 CB GLU A 42 4.458 3.991 -13.689 1.00 0.00 C ATOM 652 CG GLU A 42 3.701 2.927 -14.489 1.00 0.00 C ATOM 653 CD GLU A 42 4.667 1.814 -14.900 1.00 0.00 C ATOM 654 OE1 GLU A 42 5.422 1.368 -14.052 1.00 0.00 O ATOM 655 OE2 GLU A 42 4.634 1.426 -16.057 1.00 0.00 O ATOM 0 H GLU A 42 4.735 6.196 -12.026 1.00 0.00 H new ATOM 0 HA GLU A 42 3.194 5.522 -14.517 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.389 4.249 -14.195 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.726 3.601 -12.707 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.889 2.515 -13.890 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.249 3.375 -15.374 1.00 0.00 H new ATOM 662 N HIS A 43 1.209 5.186 -13.017 1.00 0.00 N ATOM 663 CA HIS A 43 0.037 4.914 -12.138 1.00 0.00 C ATOM 664 C HIS A 43 -0.577 3.559 -12.497 1.00 0.00 C ATOM 665 O HIS A 43 -0.393 3.051 -13.585 1.00 0.00 O ATOM 666 CB HIS A 43 -1.008 6.016 -12.328 1.00 0.00 C ATOM 667 CG HIS A 43 -0.423 7.337 -11.911 1.00 0.00 C ATOM 668 ND1 HIS A 43 -0.274 7.692 -10.578 1.00 0.00 N ATOM 669 CD2 HIS A 43 0.056 8.400 -12.638 1.00 0.00 C ATOM 670 CE1 HIS A 43 0.275 8.921 -10.544 1.00 0.00 C ATOM 671 NE2 HIS A 43 0.494 9.394 -11.771 1.00 0.00 N ATOM 0 H HIS A 43 0.984 5.574 -13.933 1.00 0.00 H new ATOM 0 HA HIS A 43 0.363 4.895 -11.098 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.323 6.058 -13.371 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.896 5.796 -11.736 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.087 8.455 -13.716 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.509 9.457 -9.636 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.898 10.296 -12.021 1.00 0.00 H new ATOM 679 N HIS A 44 -1.308 2.973 -11.588 1.00 0.00 N ATOM 680 CA HIS A 44 -1.938 1.654 -11.871 1.00 0.00 C ATOM 681 C HIS A 44 -3.405 1.687 -11.440 1.00 0.00 C ATOM 682 O HIS A 44 -3.718 1.650 -10.267 1.00 0.00 O ATOM 683 CB HIS A 44 -1.204 0.560 -11.094 1.00 0.00 C ATOM 684 CG HIS A 44 0.258 0.895 -11.018 1.00 0.00 C ATOM 685 ND1 HIS A 44 0.958 0.892 -9.819 1.00 0.00 N ATOM 686 CD2 HIS A 44 1.170 1.245 -11.984 1.00 0.00 C ATOM 687 CE1 HIS A 44 2.232 1.230 -10.092 1.00 0.00 C ATOM 688 NE2 HIS A 44 2.411 1.454 -11.395 1.00 0.00 N ATOM 0 H HIS A 44 -1.496 3.352 -10.660 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.877 1.445 -12.939 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -1.620 0.470 -10.091 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.342 -0.404 -11.584 1.00 0.00 H new ATOM 0 HD2 HIS A 44 0.956 1.343 -13.038 1.00 0.00 H new ATOM 0 HE1 HIS A 44 3.012 1.310 -9.349 1.00 0.00 H new ATOM 0 HE2 HIS A 44 3.278 1.723 -11.861 1.00 0.00 H new ATOM 696 N LEU A 45 -4.306 1.757 -12.380 1.00 0.00 N ATOM 697 CA LEU A 45 -5.754 1.792 -12.024 1.00 0.00 C ATOM 698 C LEU A 45 -6.461 0.596 -12.662 1.00 0.00 C ATOM 699 O LEU A 45 -6.251 0.284 -13.817 1.00 0.00 O ATOM 700 CB LEU A 45 -6.374 3.091 -12.547 1.00 0.00 C ATOM 701 CG LEU A 45 -5.315 4.194 -12.559 1.00 0.00 C ATOM 702 CD1 LEU A 45 -4.538 4.141 -13.876 1.00 0.00 C ATOM 703 CD2 LEU A 45 -5.999 5.557 -12.425 1.00 0.00 C ATOM 0 H LEU A 45 -4.103 1.792 -13.379 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.866 1.746 -10.941 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.768 2.939 -13.552 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.213 3.385 -11.917 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.628 4.048 -11.726 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.783 4.927 -13.885 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.052 3.170 -13.973 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.225 4.288 -14.710 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.246 6.345 -12.433 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.686 5.703 -13.259 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.553 5.595 -11.487 1.00 0.00 H new ATOM 715 N PHE A 46 -7.294 -0.081 -11.919 1.00 0.00 N ATOM 716 CA PHE A 46 -8.007 -1.260 -12.489 1.00 0.00 C ATOM 717 C PHE A 46 -9.515 -1.002 -12.492 1.00 0.00 C ATOM 718 O PHE A 46 -10.024 -0.216 -11.718 1.00 0.00 O ATOM 719 CB PHE A 46 -7.704 -2.501 -11.644 1.00 0.00 C ATOM 720 CG PHE A 46 -7.001 -2.089 -10.373 1.00 0.00 C ATOM 721 CD1 PHE A 46 -5.700 -1.576 -10.427 1.00 0.00 C ATOM 722 CD2 PHE A 46 -7.651 -2.221 -9.140 1.00 0.00 C ATOM 723 CE1 PHE A 46 -5.048 -1.196 -9.247 1.00 0.00 C ATOM 724 CE2 PHE A 46 -7.000 -1.842 -7.961 1.00 0.00 C ATOM 725 CZ PHE A 46 -5.698 -1.328 -8.014 1.00 0.00 C ATOM 0 H PHE A 46 -7.511 0.130 -10.945 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.667 -1.424 -13.512 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -8.629 -3.026 -11.406 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -7.080 -3.194 -12.208 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.199 -1.473 -11.378 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -8.655 -2.616 -9.099 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.044 -0.801 -9.288 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -7.501 -1.946 -7.010 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.196 -1.034 -7.104 1.00 0.00 H new ATOM 735 N ALA A 47 -10.231 -1.663 -13.360 1.00 0.00 N ATOM 736 CA ALA A 47 -11.706 -1.465 -13.419 1.00 0.00 C ATOM 737 C ALA A 47 -12.406 -2.811 -13.221 1.00 0.00 C ATOM 738 O ALA A 47 -11.776 -3.849 -13.185 1.00 0.00 O ATOM 739 CB ALA A 47 -12.088 -0.885 -14.783 1.00 0.00 C ATOM 0 H ALA A 47 -9.857 -2.333 -14.032 1.00 0.00 H new ATOM 0 HA ALA A 47 -12.014 -0.775 -12.633 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.167 -0.740 -14.827 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.587 0.073 -14.924 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -11.782 -1.574 -15.570 1.00 0.00 H new ATOM 745 N GLU A 48 -13.704 -2.803 -13.094 1.00 0.00 N ATOM 746 CA GLU A 48 -14.440 -4.085 -12.898 1.00 0.00 C ATOM 747 C GLU A 48 -15.323 -4.353 -14.118 1.00 0.00 C ATOM 748 O GLU A 48 -15.849 -5.435 -14.290 1.00 0.00 O ATOM 749 CB GLU A 48 -15.311 -3.990 -11.644 1.00 0.00 C ATOM 750 CG GLU A 48 -14.419 -4.010 -10.401 1.00 0.00 C ATOM 751 CD GLU A 48 -15.289 -3.931 -9.144 1.00 0.00 C ATOM 752 OE1 GLU A 48 -15.972 -4.901 -8.858 1.00 0.00 O ATOM 753 OE2 GLU A 48 -15.258 -2.902 -8.490 1.00 0.00 O ATOM 0 H GLU A 48 -14.287 -1.966 -13.117 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.727 -4.901 -12.779 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -15.901 -3.074 -11.667 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -16.015 -4.822 -11.613 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.821 -4.921 -10.385 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.723 -3.172 -10.427 1.00 0.00 H new ATOM 760 N ASP A 49 -15.490 -3.376 -14.966 1.00 0.00 N ATOM 761 CA ASP A 49 -16.337 -3.574 -16.177 1.00 0.00 C ATOM 762 C ASP A 49 -15.577 -3.085 -17.412 1.00 0.00 C ATOM 763 O ASP A 49 -15.212 -1.930 -17.511 1.00 0.00 O ATOM 764 CB ASP A 49 -17.634 -2.775 -16.029 1.00 0.00 C ATOM 765 CG ASP A 49 -18.599 -3.161 -17.152 1.00 0.00 C ATOM 766 OD1 ASP A 49 -18.324 -4.133 -17.836 1.00 0.00 O ATOM 767 OD2 ASP A 49 -19.598 -2.477 -17.309 1.00 0.00 O ATOM 0 H ASP A 49 -15.076 -2.448 -14.873 1.00 0.00 H new ATOM 0 HA ASP A 49 -16.573 -4.632 -16.288 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -18.089 -2.975 -15.059 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -17.422 -1.706 -16.068 1.00 0.00 H new ATOM 772 N PHE A 50 -15.335 -3.954 -18.354 1.00 0.00 N ATOM 773 CA PHE A 50 -14.599 -3.537 -19.581 1.00 0.00 C ATOM 774 C PHE A 50 -15.229 -2.260 -20.145 1.00 0.00 C ATOM 775 O PHE A 50 -14.579 -1.476 -20.808 1.00 0.00 O ATOM 776 CB PHE A 50 -14.676 -4.650 -20.627 1.00 0.00 C ATOM 777 CG PHE A 50 -16.111 -4.840 -21.057 1.00 0.00 C ATOM 778 CD1 PHE A 50 -17.018 -5.477 -20.203 1.00 0.00 C ATOM 779 CD2 PHE A 50 -16.533 -4.378 -22.309 1.00 0.00 C ATOM 780 CE1 PHE A 50 -18.349 -5.653 -20.600 1.00 0.00 C ATOM 781 CE2 PHE A 50 -17.864 -4.554 -22.707 1.00 0.00 C ATOM 782 CZ PHE A 50 -18.771 -5.191 -21.853 1.00 0.00 C ATOM 0 H PHE A 50 -15.615 -4.935 -18.328 1.00 0.00 H new ATOM 0 HA PHE A 50 -13.555 -3.347 -19.331 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -14.058 -4.397 -21.488 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -14.283 -5.579 -20.214 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -16.691 -5.833 -19.237 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -15.833 -3.886 -22.968 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -19.049 -6.144 -19.941 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -18.190 -4.198 -23.673 1.00 0.00 H new ATOM 0 HZ PHE A 50 -19.797 -5.327 -22.160 1.00 0.00 H new ATOM 792 N ASP A 51 -16.490 -2.047 -19.887 1.00 0.00 N ATOM 793 CA ASP A 51 -17.161 -0.821 -20.408 1.00 0.00 C ATOM 794 C ASP A 51 -16.586 0.413 -19.709 1.00 0.00 C ATOM 795 O ASP A 51 -15.863 1.193 -20.299 1.00 0.00 O ATOM 796 CB ASP A 51 -18.664 -0.910 -20.135 1.00 0.00 C ATOM 797 CG ASP A 51 -19.324 -1.796 -21.193 1.00 0.00 C ATOM 798 OD1 ASP A 51 -18.617 -2.264 -22.071 1.00 0.00 O ATOM 799 OD2 ASP A 51 -20.525 -1.993 -21.109 1.00 0.00 O ATOM 0 H ASP A 51 -17.085 -2.668 -19.338 1.00 0.00 H new ATOM 0 HA ASP A 51 -16.990 -0.741 -21.482 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -18.840 -1.320 -19.141 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -19.107 0.086 -20.152 1.00 0.00 H new ATOM 804 N LYS A 52 -16.897 0.596 -18.455 1.00 0.00 N ATOM 805 CA LYS A 52 -16.366 1.780 -17.723 1.00 0.00 C ATOM 806 C LYS A 52 -14.843 1.815 -17.857 1.00 0.00 C ATOM 807 O LYS A 52 -14.228 2.860 -17.791 1.00 0.00 O ATOM 808 CB LYS A 52 -16.746 1.681 -16.244 1.00 0.00 C ATOM 809 CG LYS A 52 -16.553 3.043 -15.577 1.00 0.00 C ATOM 810 CD LYS A 52 -17.917 3.705 -15.366 1.00 0.00 C ATOM 811 CE LYS A 52 -18.480 4.154 -16.715 1.00 0.00 C ATOM 812 NZ LYS A 52 -19.133 2.996 -17.389 1.00 0.00 N ATOM 0 H LYS A 52 -17.495 -0.022 -17.907 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.792 2.690 -18.145 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -17.783 1.359 -16.144 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -16.130 0.931 -15.748 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.043 2.923 -14.621 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.921 3.678 -16.198 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -18.603 3.005 -14.888 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -17.818 4.561 -14.698 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -19.201 4.959 -16.571 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -17.681 4.550 -17.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -18.574 2.718 -18.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -19.190 2.196 -16.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -20.092 3.265 -17.690 1.00 0.00 H new ATOM 826 N LEU A 53 -14.231 0.679 -18.046 1.00 0.00 N ATOM 827 CA LEU A 53 -12.749 0.644 -18.185 1.00 0.00 C ATOM 828 C LEU A 53 -12.328 1.504 -19.379 1.00 0.00 C ATOM 829 O LEU A 53 -11.461 2.348 -19.272 1.00 0.00 O ATOM 830 CB LEU A 53 -12.296 -0.800 -18.410 1.00 0.00 C ATOM 831 CG LEU A 53 -10.768 -0.869 -18.380 1.00 0.00 C ATOM 832 CD1 LEU A 53 -10.324 -2.332 -18.297 1.00 0.00 C ATOM 833 CD2 LEU A 53 -10.200 -0.237 -19.653 1.00 0.00 C ATOM 0 H LEU A 53 -14.694 -0.228 -18.110 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.287 1.034 -17.278 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -12.715 -1.447 -17.639 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -12.668 -1.163 -19.368 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.399 -0.326 -17.510 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.235 -2.381 -18.276 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.725 -2.783 -17.390 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.695 -2.875 -19.167 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.111 -0.287 -19.630 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.570 -0.778 -20.524 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.514 0.805 -19.713 1.00 0.00 H new ATOM 845 N GLU A 54 -12.934 1.298 -20.515 1.00 0.00 N ATOM 846 CA GLU A 54 -12.566 2.103 -21.712 1.00 0.00 C ATOM 847 C GLU A 54 -12.940 3.569 -21.483 1.00 0.00 C ATOM 848 O GLU A 54 -12.288 4.469 -21.976 1.00 0.00 O ATOM 849 CB GLU A 54 -13.318 1.571 -22.934 1.00 0.00 C ATOM 850 CG GLU A 54 -12.761 2.226 -24.200 1.00 0.00 C ATOM 851 CD GLU A 54 -11.432 1.570 -24.571 1.00 0.00 C ATOM 852 OE1 GLU A 54 -11.408 0.357 -24.700 1.00 0.00 O ATOM 853 OE2 GLU A 54 -10.459 2.290 -24.721 1.00 0.00 O ATOM 0 H GLU A 54 -13.669 0.607 -20.666 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.492 2.027 -21.882 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -13.213 0.488 -22.996 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -14.383 1.783 -22.840 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.472 2.121 -25.020 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.618 3.294 -24.037 1.00 0.00 H new ATOM 860 N LYS A 55 -13.986 3.820 -20.745 1.00 0.00 N ATOM 861 CA LYS A 55 -14.398 5.231 -20.493 1.00 0.00 C ATOM 862 C LYS A 55 -13.340 5.933 -19.638 1.00 0.00 C ATOM 863 O LYS A 55 -12.718 6.888 -20.061 1.00 0.00 O ATOM 864 CB LYS A 55 -15.741 5.248 -19.754 1.00 0.00 C ATOM 865 CG LYS A 55 -16.844 5.770 -20.679 1.00 0.00 C ATOM 866 CD LYS A 55 -17.267 4.664 -21.647 1.00 0.00 C ATOM 867 CE LYS A 55 -18.534 3.984 -21.122 1.00 0.00 C ATOM 868 NZ LYS A 55 -18.798 2.747 -21.909 1.00 0.00 N ATOM 0 H LYS A 55 -14.573 3.111 -20.306 1.00 0.00 H new ATOM 0 HA LYS A 55 -14.498 5.752 -21.445 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -15.989 4.244 -19.411 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -15.670 5.879 -18.868 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -17.700 6.100 -20.091 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -16.487 6.637 -21.235 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -17.449 5.082 -22.637 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -16.466 3.932 -21.753 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -18.417 3.738 -20.067 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -19.382 4.664 -21.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -19.659 2.285 -21.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -18.928 2.994 -22.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -17.992 2.097 -21.814 1.00 0.00 H new ATOM 882 N ALA A 56 -13.136 5.473 -18.434 1.00 0.00 N ATOM 883 CA ALA A 56 -12.125 6.120 -17.547 1.00 0.00 C ATOM 884 C ALA A 56 -10.750 6.092 -18.218 1.00 0.00 C ATOM 885 O ALA A 56 -9.960 7.003 -18.072 1.00 0.00 O ATOM 886 CB ALA A 56 -12.059 5.366 -16.217 1.00 0.00 C ATOM 0 H ALA A 56 -13.625 4.677 -18.025 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.415 7.155 -17.368 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.321 5.837 -15.568 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.036 5.393 -15.735 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.773 4.330 -16.400 1.00 0.00 H new ATOM 892 N ALA A 57 -10.455 5.054 -18.949 1.00 0.00 N ATOM 893 CA ALA A 57 -9.129 4.973 -19.621 1.00 0.00 C ATOM 894 C ALA A 57 -9.064 6.004 -20.750 1.00 0.00 C ATOM 895 O ALA A 57 -8.049 6.634 -20.972 1.00 0.00 O ATOM 896 CB ALA A 57 -8.935 3.570 -20.199 1.00 0.00 C ATOM 0 H ALA A 57 -11.074 4.259 -19.110 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.342 5.179 -18.896 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.964 3.510 -20.691 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.980 2.836 -19.395 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -9.722 3.363 -20.924 1.00 0.00 H new ATOM 902 N VAL A 58 -10.141 6.180 -21.467 1.00 0.00 N ATOM 903 CA VAL A 58 -10.142 7.168 -22.582 1.00 0.00 C ATOM 904 C VAL A 58 -10.025 8.584 -22.013 1.00 0.00 C ATOM 905 O VAL A 58 -9.214 9.374 -22.453 1.00 0.00 O ATOM 906 CB VAL A 58 -11.449 7.040 -23.369 1.00 0.00 C ATOM 907 CG1 VAL A 58 -11.769 8.369 -24.056 1.00 0.00 C ATOM 908 CG2 VAL A 58 -11.300 5.945 -24.428 1.00 0.00 C ATOM 0 H VAL A 58 -11.020 5.682 -21.328 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.297 6.974 -23.242 1.00 0.00 H new ATOM 0 HB VAL A 58 -12.258 6.782 -22.686 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.700 8.275 -24.615 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.875 9.151 -23.304 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -10.960 8.630 -24.739 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -12.230 5.853 -24.989 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.490 6.205 -25.109 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -11.074 4.996 -23.941 1.00 0.00 H new ATOM 918 N GLU A 59 -10.828 8.911 -21.038 1.00 0.00 N ATOM 919 CA GLU A 59 -10.762 10.276 -20.443 1.00 0.00 C ATOM 920 C GLU A 59 -9.357 10.525 -19.888 1.00 0.00 C ATOM 921 O GLU A 59 -8.708 11.493 -20.230 1.00 0.00 O ATOM 922 CB GLU A 59 -11.786 10.388 -19.310 1.00 0.00 C ATOM 923 CG GLU A 59 -12.865 11.405 -19.692 1.00 0.00 C ATOM 924 CD GLU A 59 -13.663 10.880 -20.887 1.00 0.00 C ATOM 925 OE1 GLU A 59 -13.042 10.492 -21.864 1.00 0.00 O ATOM 926 OE2 GLU A 59 -14.880 10.874 -20.805 1.00 0.00 O ATOM 0 H GLU A 59 -11.527 8.292 -20.628 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.985 11.018 -21.210 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.240 9.416 -19.119 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.292 10.696 -18.389 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.530 11.580 -18.846 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.406 12.362 -19.940 1.00 0.00 H new ATOM 933 N ALA A 60 -8.884 9.661 -19.032 1.00 0.00 N ATOM 934 CA ALA A 60 -7.523 9.851 -18.457 1.00 0.00 C ATOM 935 C ALA A 60 -6.522 10.093 -19.589 1.00 0.00 C ATOM 936 O ALA A 60 -5.591 10.862 -19.453 1.00 0.00 O ATOM 937 CB ALA A 60 -7.119 8.601 -17.673 1.00 0.00 C ATOM 0 H ALA A 60 -9.381 8.832 -18.706 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.528 10.711 -17.787 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.123 8.741 -17.253 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.832 8.431 -16.867 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.113 7.739 -18.340 1.00 0.00 H new ATOM 943 N PHE A 61 -6.707 9.444 -20.705 1.00 0.00 N ATOM 944 CA PHE A 61 -5.767 9.641 -21.844 1.00 0.00 C ATOM 945 C PHE A 61 -6.041 10.996 -22.497 1.00 0.00 C ATOM 946 O PHE A 61 -5.144 11.651 -22.993 1.00 0.00 O ATOM 947 CB PHE A 61 -5.970 8.529 -22.875 1.00 0.00 C ATOM 948 CG PHE A 61 -5.458 8.989 -24.218 1.00 0.00 C ATOM 949 CD1 PHE A 61 -4.091 9.225 -24.402 1.00 0.00 C ATOM 950 CD2 PHE A 61 -6.350 9.180 -25.280 1.00 0.00 C ATOM 951 CE1 PHE A 61 -3.615 9.652 -25.648 1.00 0.00 C ATOM 952 CE2 PHE A 61 -5.875 9.607 -26.525 1.00 0.00 C ATOM 953 CZ PHE A 61 -4.507 9.842 -26.710 1.00 0.00 C ATOM 0 H PHE A 61 -7.467 8.786 -20.878 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.741 9.611 -21.478 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.443 7.628 -22.562 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.027 8.272 -22.945 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.403 9.078 -23.583 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.405 8.998 -25.138 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.560 9.835 -25.789 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.564 9.755 -27.344 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.140 10.170 -27.672 1.00 0.00 H new ATOM 963 N LYS A 62 -7.273 11.422 -22.499 1.00 0.00 N ATOM 964 CA LYS A 62 -7.608 12.735 -23.117 1.00 0.00 C ATOM 965 C LYS A 62 -6.879 13.849 -22.365 1.00 0.00 C ATOM 966 O LYS A 62 -6.380 14.788 -22.954 1.00 0.00 O ATOM 967 CB LYS A 62 -9.118 12.968 -23.036 1.00 0.00 C ATOM 968 CG LYS A 62 -9.539 13.970 -24.110 1.00 0.00 C ATOM 969 CD LYS A 62 -11.008 14.345 -23.911 1.00 0.00 C ATOM 970 CE LYS A 62 -11.186 15.847 -24.148 1.00 0.00 C ATOM 971 NZ LYS A 62 -12.597 16.123 -24.542 1.00 0.00 N ATOM 0 H LYS A 62 -8.064 10.917 -22.099 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.297 12.736 -24.162 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.650 12.026 -23.174 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.386 13.344 -22.048 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.915 14.862 -24.055 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.394 13.540 -25.101 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.636 13.780 -24.600 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.328 14.084 -22.902 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.934 16.401 -23.244 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -10.506 16.186 -24.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.719 17.143 -24.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.821 15.605 -25.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.236 15.814 -23.782 1.00 0.00 H new ATOM 985 N MET A 63 -6.813 13.754 -21.065 1.00 0.00 N ATOM 986 CA MET A 63 -6.116 14.806 -20.275 1.00 0.00 C ATOM 987 C MET A 63 -4.656 14.893 -20.724 1.00 0.00 C ATOM 988 O MET A 63 -4.155 15.954 -21.036 1.00 0.00 O ATOM 989 CB MET A 63 -6.173 14.450 -18.788 1.00 0.00 C ATOM 990 CG MET A 63 -7.630 14.251 -18.367 1.00 0.00 C ATOM 991 SD MET A 63 -7.858 14.855 -16.676 1.00 0.00 S ATOM 992 CE MET A 63 -8.731 13.405 -16.035 1.00 0.00 C ATOM 0 H MET A 63 -7.212 12.992 -20.516 1.00 0.00 H new ATOM 0 HA MET A 63 -6.605 15.767 -20.436 1.00 0.00 H new ATOM 0 HB2 MET A 63 -5.601 13.542 -18.598 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.717 15.243 -18.195 1.00 0.00 H new ATOM 0 HG2 MET A 63 -8.293 14.785 -19.048 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.896 13.196 -18.426 1.00 0.00 H new ATOM 0 HE1 MET A 63 -8.818 13.482 -14.951 1.00 0.00 H new ATOM 0 HE2 MET A 63 -9.726 13.355 -16.476 1.00 0.00 H new ATOM 0 HE3 MET A 63 -8.175 12.503 -16.291 1.00 0.00 H new ATOM 1002 N GLY A 64 -3.969 13.784 -20.761 1.00 0.00 N ATOM 1003 CA GLY A 64 -2.543 13.804 -21.190 1.00 0.00 C ATOM 1004 C GLY A 64 -1.781 12.678 -20.490 1.00 0.00 C ATOM 1005 O GLY A 64 -0.623 12.816 -20.150 1.00 0.00 O ATOM 0 H GLY A 64 -4.334 12.865 -20.512 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.476 13.684 -22.271 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.093 14.767 -20.947 1.00 0.00 H new ATOM 1009 N PHE A 65 -2.423 11.564 -20.269 1.00 0.00 N ATOM 1010 CA PHE A 65 -1.735 10.431 -19.587 1.00 0.00 C ATOM 1011 C PHE A 65 -1.506 9.292 -20.583 1.00 0.00 C ATOM 1012 O PHE A 65 -2.339 9.010 -21.421 1.00 0.00 O ATOM 1013 CB PHE A 65 -2.602 9.930 -18.430 1.00 0.00 C ATOM 1014 CG PHE A 65 -2.567 10.932 -17.301 1.00 0.00 C ATOM 1015 CD1 PHE A 65 -3.130 12.202 -17.473 1.00 0.00 C ATOM 1016 CD2 PHE A 65 -1.971 10.590 -16.081 1.00 0.00 C ATOM 1017 CE1 PHE A 65 -3.096 13.131 -16.425 1.00 0.00 C ATOM 1018 CE2 PHE A 65 -1.938 11.517 -15.033 1.00 0.00 C ATOM 1019 CZ PHE A 65 -2.500 12.788 -15.205 1.00 0.00 C ATOM 0 H PHE A 65 -3.393 11.389 -20.531 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.774 10.772 -19.202 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.628 9.783 -18.768 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.239 8.963 -18.083 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.591 12.466 -18.414 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.536 9.610 -15.949 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.529 14.111 -16.558 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.479 11.252 -14.092 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.474 13.504 -14.397 1.00 0.00 H new ATOM 1029 N GLU A 66 -0.383 8.632 -20.495 1.00 0.00 N ATOM 1030 CA GLU A 66 -0.101 7.508 -21.432 1.00 0.00 C ATOM 1031 C GLU A 66 -0.715 6.221 -20.878 1.00 0.00 C ATOM 1032 O GLU A 66 -0.039 5.407 -20.279 1.00 0.00 O ATOM 1033 CB GLU A 66 1.414 7.328 -21.571 1.00 0.00 C ATOM 1034 CG GLU A 66 1.874 7.825 -22.945 1.00 0.00 C ATOM 1035 CD GLU A 66 1.886 9.355 -22.957 1.00 0.00 C ATOM 1036 OE1 GLU A 66 0.822 9.938 -22.845 1.00 0.00 O ATOM 1037 OE2 GLU A 66 2.963 9.917 -23.081 1.00 0.00 O ATOM 0 H GLU A 66 0.352 8.823 -19.814 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.533 7.730 -22.408 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.928 7.880 -20.784 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.677 6.277 -21.448 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.870 7.441 -23.168 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.207 7.450 -23.721 1.00 0.00 H new ATOM 1044 N VAL A 67 -1.991 6.029 -21.068 1.00 0.00 N ATOM 1045 CA VAL A 67 -2.642 4.795 -20.547 1.00 0.00 C ATOM 1046 C VAL A 67 -2.016 3.566 -21.208 1.00 0.00 C ATOM 1047 O VAL A 67 -1.934 3.472 -22.416 1.00 0.00 O ATOM 1048 CB VAL A 67 -4.139 4.835 -20.861 1.00 0.00 C ATOM 1049 CG1 VAL A 67 -4.341 5.055 -22.361 1.00 0.00 C ATOM 1050 CG2 VAL A 67 -4.777 3.505 -20.452 1.00 0.00 C ATOM 0 H VAL A 67 -2.610 6.672 -21.561 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.498 4.739 -19.468 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.606 5.651 -20.309 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.408 5.083 -22.584 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.883 6.000 -22.655 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.876 4.239 -22.914 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.844 3.530 -20.674 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.310 2.691 -21.007 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.633 3.346 -19.383 1.00 0.00 H new ATOM 1060 N LEU A 68 -1.576 2.621 -20.423 1.00 0.00 N ATOM 1061 CA LEU A 68 -0.958 1.395 -21.002 1.00 0.00 C ATOM 1062 C LEU A 68 -1.967 0.247 -20.946 1.00 0.00 C ATOM 1063 O LEU A 68 -2.728 0.122 -20.006 1.00 0.00 O ATOM 1064 CB LEU A 68 0.287 1.019 -20.196 1.00 0.00 C ATOM 1065 CG LEU A 68 1.255 0.238 -21.086 1.00 0.00 C ATOM 1066 CD1 LEU A 68 2.082 1.216 -21.922 1.00 0.00 C ATOM 1067 CD2 LEU A 68 2.191 -0.598 -20.211 1.00 0.00 C ATOM 0 H LEU A 68 -1.618 2.645 -19.404 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.674 1.584 -22.037 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.772 1.918 -19.815 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.006 0.418 -19.332 1.00 0.00 H new ATOM 0 HG LEU A 68 0.690 -0.419 -21.747 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.772 0.659 -22.556 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.417 1.814 -22.546 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.647 1.873 -21.260 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.881 -1.155 -20.845 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.756 0.060 -19.550 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.604 -1.296 -19.613 1.00 0.00 H new ATOM 1079 N GLU A 69 -1.984 -0.590 -21.945 1.00 0.00 N ATOM 1080 CA GLU A 69 -2.948 -1.727 -21.947 1.00 0.00 C ATOM 1081 C GLU A 69 -2.982 -2.372 -20.561 1.00 0.00 C ATOM 1082 O GLU A 69 -2.107 -2.162 -19.743 1.00 0.00 O ATOM 1083 CB GLU A 69 -2.513 -2.764 -22.984 1.00 0.00 C ATOM 1084 CG GLU A 69 -2.779 -2.225 -24.392 1.00 0.00 C ATOM 1085 CD GLU A 69 -3.853 -3.076 -25.072 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -4.807 -3.439 -24.402 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -3.704 -3.352 -26.251 1.00 0.00 O ATOM 0 H GLU A 69 -1.373 -0.537 -22.760 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.942 -1.358 -22.198 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.453 -2.990 -22.864 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.057 -3.696 -22.832 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.103 -1.186 -24.339 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.861 -2.243 -24.979 1.00 0.00 H new ATOM 1094 N ALA A 70 -3.988 -3.158 -20.289 1.00 0.00 N ATOM 1095 CA ALA A 70 -4.084 -3.817 -18.957 1.00 0.00 C ATOM 1096 C ALA A 70 -3.902 -5.328 -19.118 1.00 0.00 C ATOM 1097 O ALA A 70 -3.873 -5.846 -20.216 1.00 0.00 O ATOM 1098 CB ALA A 70 -5.458 -3.532 -18.347 1.00 0.00 C ATOM 0 H ALA A 70 -4.749 -3.372 -20.934 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.305 -3.426 -18.302 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.530 -4.014 -17.372 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.588 -2.456 -18.231 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.236 -3.923 -19.003 1.00 0.00 H new ATOM 1104 N GLU A 71 -3.782 -6.038 -18.030 1.00 0.00 N ATOM 1105 CA GLU A 71 -3.604 -7.515 -18.120 1.00 0.00 C ATOM 1106 C GLU A 71 -4.627 -8.205 -17.215 1.00 0.00 C ATOM 1107 O GLU A 71 -4.938 -7.732 -16.140 1.00 0.00 O ATOM 1108 CB GLU A 71 -2.189 -7.888 -17.670 1.00 0.00 C ATOM 1109 CG GLU A 71 -1.934 -9.369 -17.959 1.00 0.00 C ATOM 1110 CD GLU A 71 -1.235 -10.013 -16.760 1.00 0.00 C ATOM 1111 OE1 GLU A 71 -1.594 -9.681 -15.643 1.00 0.00 O ATOM 1112 OE2 GLU A 71 -0.351 -10.825 -16.980 1.00 0.00 O ATOM 0 H GLU A 71 -3.799 -5.660 -17.083 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.753 -7.838 -19.150 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.456 -7.273 -18.193 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.071 -7.689 -16.605 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.877 -9.878 -18.160 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.318 -9.475 -18.852 1.00 0.00 H new ATOM 1119 N GLU A 72 -5.153 -9.321 -17.641 1.00 0.00 N ATOM 1120 CA GLU A 72 -6.155 -10.037 -16.802 1.00 0.00 C ATOM 1121 C GLU A 72 -5.591 -10.238 -15.396 1.00 0.00 C ATOM 1122 O GLU A 72 -4.445 -10.603 -15.223 1.00 0.00 O ATOM 1123 CB GLU A 72 -6.465 -11.399 -17.428 1.00 0.00 C ATOM 1124 CG GLU A 72 -5.159 -12.080 -17.844 1.00 0.00 C ATOM 1125 CD GLU A 72 -5.367 -13.594 -17.898 1.00 0.00 C ATOM 1126 OE1 GLU A 72 -5.682 -14.166 -16.867 1.00 0.00 O ATOM 1127 OE2 GLU A 72 -5.206 -14.156 -18.969 1.00 0.00 O ATOM 0 H GLU A 72 -4.933 -9.767 -18.532 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.070 -9.447 -16.745 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.003 -12.025 -16.715 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.114 -11.273 -18.295 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.839 -11.711 -18.819 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.368 -11.836 -17.135 1.00 0.00 H new ATOM 1134 N THR A 73 -6.387 -10.004 -14.390 1.00 0.00 N ATOM 1135 CA THR A 73 -5.895 -10.179 -12.996 1.00 0.00 C ATOM 1136 C THR A 73 -6.783 -11.187 -12.264 1.00 0.00 C ATOM 1137 O THR A 73 -7.629 -11.829 -12.855 1.00 0.00 O ATOM 1138 CB THR A 73 -5.936 -8.833 -12.267 1.00 0.00 C ATOM 1139 OG1 THR A 73 -6.293 -7.810 -13.187 1.00 0.00 O ATOM 1140 CG2 THR A 73 -4.560 -8.528 -11.674 1.00 0.00 C ATOM 0 H THR A 73 -7.357 -9.699 -14.473 1.00 0.00 H new ATOM 0 HA THR A 73 -4.870 -10.548 -13.016 1.00 0.00 H new ATOM 0 HB THR A 73 -6.673 -8.877 -11.465 1.00 0.00 H new ATOM 0 HG1 THR A 73 -5.831 -6.979 -12.948 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.591 -7.570 -11.156 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.285 -9.313 -10.969 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.821 -8.484 -12.474 1.00 0.00 H new ATOM 1223 N LYS A 80 -11.667 -12.093 -12.735 1.00 0.00 N ATOM 1224 CA LYS A 80 -10.844 -11.570 -13.862 1.00 0.00 C ATOM 1225 C LYS A 80 -10.955 -10.044 -13.911 1.00 0.00 C ATOM 1226 O LYS A 80 -11.916 -9.498 -14.414 1.00 0.00 O ATOM 1227 CB LYS A 80 -11.349 -12.161 -15.179 1.00 0.00 C ATOM 1228 CG LYS A 80 -11.168 -13.680 -15.159 1.00 0.00 C ATOM 1229 CD LYS A 80 -10.610 -14.149 -16.505 1.00 0.00 C ATOM 1230 CE LYS A 80 -10.456 -15.670 -16.491 1.00 0.00 C ATOM 1231 NZ LYS A 80 -10.576 -16.195 -17.882 1.00 0.00 N ATOM 0 HA LYS A 80 -9.802 -11.853 -13.713 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.400 -11.911 -15.323 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.801 -11.730 -16.017 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.491 -13.965 -14.354 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.122 -14.167 -14.960 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.278 -13.848 -17.312 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -9.646 -13.677 -16.696 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -9.489 -15.944 -16.070 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.220 -16.118 -15.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -10.471 -17.230 -17.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -11.509 -15.945 -18.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -9.832 -15.777 -18.476 1.00 0.00 H new ATOM 1245 N LEU A 81 -9.978 -9.354 -13.390 1.00 0.00 N ATOM 1246 CA LEU A 81 -10.026 -7.864 -13.405 1.00 0.00 C ATOM 1247 C LEU A 81 -9.035 -7.331 -14.442 1.00 0.00 C ATOM 1248 O LEU A 81 -8.286 -8.078 -15.039 1.00 0.00 O ATOM 1249 CB LEU A 81 -9.652 -7.326 -12.021 1.00 0.00 C ATOM 1250 CG LEU A 81 -10.013 -8.357 -10.951 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -9.526 -7.870 -9.586 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -11.533 -8.541 -10.913 1.00 0.00 C ATOM 0 H LEU A 81 -9.148 -9.757 -12.954 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.033 -7.537 -13.663 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.585 -7.106 -11.982 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.178 -6.390 -11.830 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.536 -9.308 -11.188 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.784 -8.606 -8.824 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.444 -7.738 -9.612 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.002 -6.919 -9.348 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.792 -9.276 -10.151 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.009 -7.589 -10.676 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -11.882 -8.889 -11.885 1.00 0.00 H new ATOM 1264 N LEU A 82 -9.023 -6.044 -14.657 1.00 0.00 N ATOM 1265 CA LEU A 82 -8.077 -5.463 -15.652 1.00 0.00 C ATOM 1266 C LEU A 82 -7.300 -4.318 -15.000 1.00 0.00 C ATOM 1267 O LEU A 82 -7.857 -3.501 -14.294 1.00 0.00 O ATOM 1268 CB LEU A 82 -8.861 -4.933 -16.854 1.00 0.00 C ATOM 1269 CG LEU A 82 -9.430 -6.110 -17.649 1.00 0.00 C ATOM 1270 CD1 LEU A 82 -10.933 -6.223 -17.388 1.00 0.00 C ATOM 1271 CD2 LEU A 82 -9.188 -5.880 -19.142 1.00 0.00 C ATOM 0 H LEU A 82 -9.627 -5.370 -14.187 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.381 -6.231 -15.988 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.669 -4.283 -16.517 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.211 -4.331 -17.489 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.937 -7.031 -17.338 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.339 -7.061 -17.954 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.106 -6.386 -16.324 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -11.427 -5.302 -17.699 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.593 -6.718 -19.710 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.681 -4.959 -19.453 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.117 -5.799 -19.329 1.00 0.00 H new ATOM 1283 N CYS A 83 -6.017 -4.254 -15.225 1.00 0.00 N ATOM 1284 CA CYS A 83 -5.208 -3.165 -14.609 1.00 0.00 C ATOM 1285 C CYS A 83 -4.450 -2.399 -15.696 1.00 0.00 C ATOM 1286 O CYS A 83 -3.413 -2.827 -16.162 1.00 0.00 O ATOM 1287 CB CYS A 83 -4.206 -3.771 -13.624 1.00 0.00 C ATOM 1288 SG CYS A 83 -5.054 -4.972 -12.567 1.00 0.00 S ATOM 0 H CYS A 83 -5.494 -4.908 -15.808 1.00 0.00 H new ATOM 0 HA CYS A 83 -5.873 -2.479 -14.084 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -3.394 -4.256 -14.166 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -3.758 -2.986 -13.015 1.00 0.00 H new ATOM 0 HG CYS A 83 -4.204 -5.490 -11.730 1.00 0.00 H new ATOM 1294 N PHE A 84 -4.950 -1.260 -16.093 1.00 0.00 N ATOM 1295 CA PHE A 84 -4.247 -0.464 -17.138 1.00 0.00 C ATOM 1296 C PHE A 84 -3.278 0.501 -16.452 1.00 0.00 C ATOM 1297 O PHE A 84 -3.559 1.024 -15.392 1.00 0.00 O ATOM 1298 CB PHE A 84 -5.268 0.324 -17.964 1.00 0.00 C ATOM 1299 CG PHE A 84 -6.301 0.936 -17.049 1.00 0.00 C ATOM 1300 CD1 PHE A 84 -7.273 0.127 -16.451 1.00 0.00 C ATOM 1301 CD2 PHE A 84 -6.288 2.315 -16.802 1.00 0.00 C ATOM 1302 CE1 PHE A 84 -8.233 0.695 -15.605 1.00 0.00 C ATOM 1303 CE2 PHE A 84 -7.248 2.883 -15.955 1.00 0.00 C ATOM 1304 CZ PHE A 84 -8.221 2.073 -15.358 1.00 0.00 C ATOM 0 H PHE A 84 -5.813 -0.847 -15.739 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.697 -1.130 -17.803 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.764 1.105 -18.533 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.752 -0.334 -18.686 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -7.283 -0.936 -16.642 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.538 2.940 -17.264 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.983 0.070 -15.143 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.238 3.946 -15.763 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.963 2.511 -14.707 1.00 0.00 H new ATOM 1314 N ASP A 85 -2.136 0.734 -17.037 1.00 0.00 N ATOM 1315 CA ASP A 85 -1.154 1.656 -16.399 1.00 0.00 C ATOM 1316 C ASP A 85 -1.174 3.012 -17.104 1.00 0.00 C ATOM 1317 O ASP A 85 -1.645 3.142 -18.215 1.00 0.00 O ATOM 1318 CB ASP A 85 0.248 1.052 -16.499 1.00 0.00 C ATOM 1319 CG ASP A 85 0.159 -0.468 -16.357 1.00 0.00 C ATOM 1320 OD1 ASP A 85 -0.028 -1.127 -17.368 1.00 0.00 O ATOM 1321 OD2 ASP A 85 0.278 -0.949 -15.243 1.00 0.00 O ATOM 0 H ASP A 85 -1.841 0.328 -17.925 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.422 1.794 -15.352 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.701 1.313 -17.456 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.890 1.464 -15.720 1.00 0.00 H new ATOM 1326 N ALA A 86 -0.656 4.025 -16.462 1.00 0.00 N ATOM 1327 CA ALA A 86 -0.633 5.378 -17.088 1.00 0.00 C ATOM 1328 C ALA A 86 0.732 6.024 -16.833 1.00 0.00 C ATOM 1329 O ALA A 86 1.278 5.934 -15.752 1.00 0.00 O ATOM 1330 CB ALA A 86 -1.734 6.247 -16.474 1.00 0.00 C ATOM 0 H ALA A 86 -0.247 3.973 -15.529 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.803 5.289 -18.161 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.716 7.236 -16.933 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.704 5.783 -16.650 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.567 6.342 -15.401 1.00 0.00 H new ATOM 1336 N THR A 87 1.289 6.671 -17.820 1.00 0.00 N ATOM 1337 CA THR A 87 2.620 7.315 -17.629 1.00 0.00 C ATOM 1338 C THR A 87 2.494 8.826 -17.830 1.00 0.00 C ATOM 1339 O THR A 87 1.839 9.289 -18.743 1.00 0.00 O ATOM 1340 CB THR A 87 3.611 6.744 -18.646 1.00 0.00 C ATOM 1341 OG1 THR A 87 2.908 5.972 -19.608 1.00 0.00 O ATOM 1342 CG2 THR A 87 4.631 5.861 -17.925 1.00 0.00 C ATOM 0 H THR A 87 0.881 6.782 -18.748 1.00 0.00 H new ATOM 0 HA THR A 87 2.978 7.115 -16.619 1.00 0.00 H new ATOM 0 HB THR A 87 4.131 7.561 -19.147 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.457 5.876 -20.414 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.337 5.454 -18.649 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.170 6.456 -17.188 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.114 5.043 -17.424 1.00 0.00 H new ATOM 1350 N MET A 88 3.119 9.599 -16.984 1.00 0.00 N ATOM 1351 CA MET A 88 3.040 11.081 -17.125 1.00 0.00 C ATOM 1352 C MET A 88 4.412 11.694 -16.838 1.00 0.00 C ATOM 1353 O MET A 88 4.964 11.529 -15.768 1.00 0.00 O ATOM 1354 CB MET A 88 2.016 11.633 -16.131 1.00 0.00 C ATOM 1355 CG MET A 88 1.875 13.144 -16.329 1.00 0.00 C ATOM 1356 SD MET A 88 0.993 13.472 -17.874 1.00 0.00 S ATOM 1357 CE MET A 88 -0.273 14.566 -17.182 1.00 0.00 C ATOM 0 H MET A 88 3.682 9.268 -16.200 1.00 0.00 H new ATOM 0 HA MET A 88 2.734 11.334 -18.140 1.00 0.00 H new ATOM 0 HB2 MET A 88 1.052 11.145 -16.277 1.00 0.00 H new ATOM 0 HB3 MET A 88 2.331 11.417 -15.110 1.00 0.00 H new ATOM 0 HG2 MET A 88 1.335 13.582 -15.490 1.00 0.00 H new ATOM 0 HG3 MET A 88 2.859 13.611 -16.354 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.172 14.516 -17.796 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.509 14.252 -16.165 1.00 0.00 H new ATOM 0 HE3 MET A 88 0.100 15.590 -17.168 1.00 0.00 H new ATOM 1367 N GLN A 89 4.966 12.403 -17.784 1.00 0.00 N ATOM 1368 CA GLN A 89 6.302 13.025 -17.562 1.00 0.00 C ATOM 1369 C GLN A 89 6.132 14.330 -16.782 1.00 0.00 C ATOM 1370 O GLN A 89 5.459 15.242 -17.218 1.00 0.00 O ATOM 1371 CB GLN A 89 6.959 13.320 -18.910 1.00 0.00 C ATOM 1372 CG GLN A 89 7.279 12.004 -19.624 1.00 0.00 C ATOM 1373 CD GLN A 89 6.441 11.893 -20.899 1.00 0.00 C ATOM 1374 OE1 GLN A 89 6.670 12.608 -21.855 1.00 0.00 O ATOM 1375 NE2 GLN A 89 5.472 11.021 -20.955 1.00 0.00 N ATOM 0 H GLN A 89 4.552 12.578 -18.699 1.00 0.00 H new ATOM 0 HA GLN A 89 6.932 12.340 -16.994 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.294 13.927 -19.525 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.872 13.897 -18.763 1.00 0.00 H new ATOM 0 HG2 GLN A 89 8.340 11.961 -19.870 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.070 11.161 -18.965 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.279 10.421 -20.153 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.907 10.940 -21.801 1.00 0.00 H new ATOM 1384 N SER A 90 6.740 14.426 -15.631 1.00 0.00 N ATOM 1385 CA SER A 90 6.613 15.671 -14.824 1.00 0.00 C ATOM 1386 C SER A 90 7.917 15.916 -14.063 1.00 0.00 C ATOM 1387 O SER A 90 8.848 15.140 -14.141 1.00 0.00 O ATOM 1388 CB SER A 90 5.463 15.520 -13.830 1.00 0.00 C ATOM 1389 OG SER A 90 5.988 15.434 -12.513 1.00 0.00 O ATOM 0 H SER A 90 7.319 13.696 -15.215 1.00 0.00 H new ATOM 0 HA SER A 90 6.412 16.515 -15.484 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.785 16.370 -13.909 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.882 14.627 -14.061 1.00 0.00 H new ATOM 0 HG SER A 90 5.252 15.339 -11.873 1.00 0.00 H new ATOM 1395 N ALA A 91 7.993 16.989 -13.324 1.00 0.00 N ATOM 1396 CA ALA A 91 9.237 17.278 -12.559 1.00 0.00 C ATOM 1397 C ALA A 91 9.127 16.668 -11.159 1.00 0.00 C ATOM 1398 O ALA A 91 8.075 16.670 -10.552 1.00 0.00 O ATOM 1399 CB ALA A 91 9.428 18.791 -12.444 1.00 0.00 C ATOM 0 H ALA A 91 7.248 17.677 -13.218 1.00 0.00 H new ATOM 0 HA ALA A 91 10.092 16.845 -13.079 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.339 19.001 -11.884 1.00 0.00 H new ATOM 0 HB2 ALA A 91 9.507 19.225 -13.441 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.574 19.227 -11.925 1.00 0.00 H new ATOM 1405 N LEU A 92 10.206 16.147 -10.644 1.00 0.00 N ATOM 1406 CA LEU A 92 10.165 15.537 -9.286 1.00 0.00 C ATOM 1407 C LEU A 92 9.631 16.558 -8.280 1.00 0.00 C ATOM 1408 O LEU A 92 10.332 17.460 -7.865 1.00 0.00 O ATOM 1409 CB LEU A 92 11.578 15.111 -8.879 1.00 0.00 C ATOM 1410 CG LEU A 92 11.516 14.304 -7.583 1.00 0.00 C ATOM 1411 CD1 LEU A 92 11.218 12.839 -7.907 1.00 0.00 C ATOM 1412 CD2 LEU A 92 12.860 14.402 -6.858 1.00 0.00 C ATOM 0 H LEU A 92 11.115 16.117 -11.106 1.00 0.00 H new ATOM 0 HA LEU A 92 9.509 14.666 -9.299 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.031 14.513 -9.670 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.209 15.990 -8.743 1.00 0.00 H new ATOM 0 HG LEU A 92 10.727 14.702 -6.945 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.174 12.264 -6.982 1.00 0.00 H new ATOM 0 HD12 LEU A 92 10.261 12.768 -8.425 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.006 12.440 -8.545 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.817 13.827 -5.933 1.00 0.00 H new ATOM 0 HD22 LEU A 92 13.648 14.004 -7.497 1.00 0.00 H new ATOM 0 HD23 LEU A 92 13.073 15.446 -6.627 1.00 0.00 H new ATOM 1424 N ASP A 93 8.394 16.425 -7.882 1.00 0.00 N ATOM 1425 CA ASP A 93 7.819 17.389 -6.901 1.00 0.00 C ATOM 1426 C ASP A 93 6.650 16.733 -6.163 1.00 0.00 C ATOM 1427 O ASP A 93 5.723 16.233 -6.768 1.00 0.00 O ATOM 1428 CB ASP A 93 7.319 18.634 -7.639 1.00 0.00 C ATOM 1429 CG ASP A 93 8.337 19.764 -7.483 1.00 0.00 C ATOM 1430 OD1 ASP A 93 8.545 20.197 -6.361 1.00 0.00 O ATOM 1431 OD2 ASP A 93 8.892 20.179 -8.487 1.00 0.00 O ATOM 0 H ASP A 93 7.758 15.691 -8.194 1.00 0.00 H new ATOM 0 HA ASP A 93 8.588 17.675 -6.183 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.170 18.408 -8.695 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.353 18.943 -7.239 1.00 0.00 H new ATOM 1436 N ALA A 94 6.687 16.732 -4.858 1.00 0.00 N ATOM 1437 CA ALA A 94 5.577 16.109 -4.083 1.00 0.00 C ATOM 1438 C ALA A 94 4.270 16.842 -4.393 1.00 0.00 C ATOM 1439 O ALA A 94 3.228 16.235 -4.542 1.00 0.00 O ATOM 1440 CB ALA A 94 5.877 16.213 -2.586 1.00 0.00 C ATOM 0 H ALA A 94 7.437 17.135 -4.296 1.00 0.00 H new ATOM 0 HA ALA A 94 5.483 15.059 -4.361 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.065 15.757 -2.020 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.810 15.694 -2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.971 17.262 -2.306 1.00 0.00 H new ATOM 1446 N LYS A 95 4.317 18.142 -4.494 1.00 0.00 N ATOM 1447 CA LYS A 95 3.076 18.909 -4.798 1.00 0.00 C ATOM 1448 C LYS A 95 2.549 18.489 -6.171 1.00 0.00 C ATOM 1449 O LYS A 95 1.421 18.059 -6.309 1.00 0.00 O ATOM 1450 CB LYS A 95 3.387 20.407 -4.805 1.00 0.00 C ATOM 1451 CG LYS A 95 4.245 20.757 -3.587 1.00 0.00 C ATOM 1452 CD LYS A 95 3.956 22.197 -3.158 1.00 0.00 C ATOM 1453 CE LYS A 95 5.138 22.735 -2.347 1.00 0.00 C ATOM 1454 NZ LYS A 95 4.635 23.355 -1.088 1.00 0.00 N ATOM 0 H LYS A 95 5.159 18.705 -4.379 1.00 0.00 H new ATOM 0 HA LYS A 95 2.323 18.702 -4.038 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.912 20.676 -5.722 1.00 0.00 H new ATOM 0 HB3 LYS A 95 2.461 20.981 -4.788 1.00 0.00 H new ATOM 0 HG2 LYS A 95 4.029 20.072 -2.767 1.00 0.00 H new ATOM 0 HG3 LYS A 95 5.302 20.643 -3.828 1.00 0.00 H new ATOM 0 HD2 LYS A 95 3.788 22.822 -4.035 1.00 0.00 H new ATOM 0 HD3 LYS A 95 3.045 22.234 -2.561 1.00 0.00 H new ATOM 0 HE2 LYS A 95 5.832 21.927 -2.115 1.00 0.00 H new ATOM 0 HE3 LYS A 95 5.690 23.471 -2.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 5.437 23.721 -0.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 3.989 24.137 -1.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 4.127 22.641 -0.528 1.00 0.00 H new ATOM 1468 N LEU A 96 3.359 18.605 -7.189 1.00 0.00 N ATOM 1469 CA LEU A 96 2.903 18.204 -8.548 1.00 0.00 C ATOM 1470 C LEU A 96 2.333 16.786 -8.484 1.00 0.00 C ATOM 1471 O LEU A 96 1.297 16.496 -9.049 1.00 0.00 O ATOM 1472 CB LEU A 96 4.088 18.235 -9.520 1.00 0.00 C ATOM 1473 CG LEU A 96 4.123 19.572 -10.269 1.00 0.00 C ATOM 1474 CD1 LEU A 96 4.772 20.636 -9.383 1.00 0.00 C ATOM 1475 CD2 LEU A 96 4.943 19.412 -11.552 1.00 0.00 C ATOM 0 H LEU A 96 4.314 18.959 -7.137 1.00 0.00 H new ATOM 0 HA LEU A 96 2.136 18.896 -8.896 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.020 18.091 -8.973 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.006 17.413 -10.231 1.00 0.00 H new ATOM 0 HG LEU A 96 3.107 19.877 -10.518 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.797 21.587 -9.915 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.193 20.749 -8.466 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.789 20.332 -9.135 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.970 20.361 -12.087 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.959 19.109 -11.299 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.485 18.652 -12.184 1.00 0.00 H new ATOM 1487 N ILE A 97 3.000 15.902 -7.794 1.00 0.00 N ATOM 1488 CA ILE A 97 2.496 14.505 -7.687 1.00 0.00 C ATOM 1489 C ILE A 97 1.163 14.506 -6.935 1.00 0.00 C ATOM 1490 O ILE A 97 0.319 13.658 -7.148 1.00 0.00 O ATOM 1491 CB ILE A 97 3.509 13.653 -6.921 1.00 0.00 C ATOM 1492 CG1 ILE A 97 4.687 13.310 -7.836 1.00 0.00 C ATOM 1493 CG2 ILE A 97 2.839 12.361 -6.451 1.00 0.00 C ATOM 1494 CD1 ILE A 97 5.875 12.852 -6.988 1.00 0.00 C ATOM 0 H ILE A 97 3.873 16.088 -7.300 1.00 0.00 H new ATOM 0 HA ILE A 97 2.355 14.091 -8.685 1.00 0.00 H new ATOM 0 HB ILE A 97 3.870 14.211 -6.057 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.401 12.524 -8.535 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.965 14.180 -8.431 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.561 11.754 -5.905 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.001 12.603 -5.797 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.477 11.804 -7.315 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.714 12.608 -7.639 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.165 13.652 -6.307 1.00 0.00 H new ATOM 0 HD13 ILE A 97 5.593 11.970 -6.413 1.00 0.00 H new ATOM 1506 N ASP A 98 0.968 15.453 -6.057 1.00 0.00 N ATOM 1507 CA ASP A 98 -0.309 15.509 -5.292 1.00 0.00 C ATOM 1508 C ASP A 98 -1.458 15.862 -6.238 1.00 0.00 C ATOM 1509 O ASP A 98 -2.459 15.175 -6.298 1.00 0.00 O ATOM 1510 CB ASP A 98 -0.205 16.573 -4.198 1.00 0.00 C ATOM 1511 CG ASP A 98 -1.283 16.324 -3.142 1.00 0.00 C ATOM 1512 OD1 ASP A 98 -1.905 15.275 -3.194 1.00 0.00 O ATOM 1513 OD2 ASP A 98 -1.467 17.185 -2.298 1.00 0.00 O ATOM 0 H ASP A 98 1.638 16.190 -5.837 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.499 14.537 -4.836 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.783 16.543 -3.739 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -0.326 17.567 -4.629 1.00 0.00 H new ATOM 1518 N GLU A 99 -1.324 16.928 -6.981 1.00 0.00 N ATOM 1519 CA GLU A 99 -2.411 17.318 -7.922 1.00 0.00 C ATOM 1520 C GLU A 99 -2.646 16.185 -8.922 1.00 0.00 C ATOM 1521 O GLU A 99 -3.765 15.773 -9.157 1.00 0.00 O ATOM 1522 CB GLU A 99 -2.006 18.586 -8.677 1.00 0.00 C ATOM 1523 CG GLU A 99 -1.607 19.673 -7.677 1.00 0.00 C ATOM 1524 CD GLU A 99 -1.763 21.048 -8.331 1.00 0.00 C ATOM 1525 OE1 GLU A 99 -2.223 21.096 -9.459 1.00 0.00 O ATOM 1526 OE2 GLU A 99 -1.419 22.029 -7.691 1.00 0.00 O ATOM 0 H GLU A 99 -0.511 17.543 -6.976 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.326 17.507 -7.361 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -1.174 18.372 -9.348 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -2.834 18.933 -9.296 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -2.231 19.609 -6.786 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -0.576 19.526 -7.355 1.00 0.00 H new ATOM 1533 N GLN A 100 -1.599 15.678 -9.513 1.00 0.00 N ATOM 1534 CA GLN A 100 -1.762 14.570 -10.497 1.00 0.00 C ATOM 1535 C GLN A 100 -2.595 13.451 -9.870 1.00 0.00 C ATOM 1536 O GLN A 100 -3.579 13.007 -10.428 1.00 0.00 O ATOM 1537 CB GLN A 100 -0.385 14.024 -10.882 1.00 0.00 C ATOM 1538 CG GLN A 100 0.417 15.112 -11.598 1.00 0.00 C ATOM 1539 CD GLN A 100 -0.058 15.227 -13.047 1.00 0.00 C ATOM 1540 OE1 GLN A 100 -0.289 14.232 -13.705 1.00 0.00 O ATOM 1541 NE2 GLN A 100 -0.214 16.409 -13.579 1.00 0.00 N ATOM 0 H GLN A 100 -0.638 15.983 -9.357 1.00 0.00 H new ATOM 0 HA GLN A 100 -2.267 14.945 -11.387 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.148 13.692 -9.991 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.496 13.154 -11.529 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.292 16.066 -11.087 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.480 14.872 -11.571 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -0.021 17.246 -13.028 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -0.529 16.496 -14.545 1.00 0.00 H new ATOM 1550 N VAL A 101 -2.207 12.989 -8.713 1.00 0.00 N ATOM 1551 CA VAL A 101 -2.972 11.897 -8.049 1.00 0.00 C ATOM 1552 C VAL A 101 -4.394 12.376 -7.746 1.00 0.00 C ATOM 1553 O VAL A 101 -5.363 11.803 -8.202 1.00 0.00 O ATOM 1554 CB VAL A 101 -2.277 11.511 -6.742 1.00 0.00 C ATOM 1555 CG1 VAL A 101 -3.100 10.441 -6.024 1.00 0.00 C ATOM 1556 CG2 VAL A 101 -0.883 10.962 -7.050 1.00 0.00 C ATOM 0 H VAL A 101 -1.392 13.322 -8.198 1.00 0.00 H new ATOM 0 HA VAL A 101 -3.015 11.032 -8.710 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.189 12.390 -6.103 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.605 10.166 -5.093 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.094 10.832 -5.805 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.189 9.561 -6.662 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.387 10.687 -6.119 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.971 10.083 -7.688 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.296 11.725 -7.562 1.00 0.00 H new ATOM 1566 N GLU A 102 -4.524 13.420 -6.976 1.00 0.00 N ATOM 1567 CA GLU A 102 -5.881 13.936 -6.637 1.00 0.00 C ATOM 1568 C GLU A 102 -6.753 13.964 -7.894 1.00 0.00 C ATOM 1569 O GLU A 102 -7.951 13.777 -7.833 1.00 0.00 O ATOM 1570 CB GLU A 102 -5.759 15.352 -6.071 1.00 0.00 C ATOM 1571 CG GLU A 102 -7.147 15.870 -5.694 1.00 0.00 C ATOM 1572 CD GLU A 102 -7.074 17.373 -5.420 1.00 0.00 C ATOM 1573 OE1 GLU A 102 -6.618 17.739 -4.350 1.00 0.00 O ATOM 1574 OE2 GLU A 102 -7.476 18.133 -6.286 1.00 0.00 O ATOM 0 H GLU A 102 -3.748 13.940 -6.566 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.340 13.283 -5.895 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.109 15.351 -5.196 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.300 16.012 -6.808 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.853 15.671 -6.501 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -7.515 15.346 -4.812 1.00 0.00 H new ATOM 1581 N LYS A 103 -6.161 14.197 -9.033 1.00 0.00 N ATOM 1582 CA LYS A 103 -6.960 14.239 -10.290 1.00 0.00 C ATOM 1583 C LYS A 103 -7.457 12.832 -10.627 1.00 0.00 C ATOM 1584 O LYS A 103 -8.623 12.623 -10.896 1.00 0.00 O ATOM 1585 CB LYS A 103 -6.084 14.755 -11.433 1.00 0.00 C ATOM 1586 CG LYS A 103 -6.949 14.994 -12.673 1.00 0.00 C ATOM 1587 CD LYS A 103 -7.402 16.454 -12.705 1.00 0.00 C ATOM 1588 CE LYS A 103 -8.474 16.634 -13.782 1.00 0.00 C ATOM 1589 NZ LYS A 103 -7.943 17.506 -14.868 1.00 0.00 N ATOM 0 H LYS A 103 -5.161 14.360 -9.148 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.813 14.904 -10.155 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.590 15.681 -11.137 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -5.299 14.033 -11.658 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.384 14.758 -13.575 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.816 14.333 -12.658 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.797 16.744 -11.732 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.552 17.105 -12.911 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -8.764 15.665 -14.188 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -9.370 17.079 -13.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -8.661 18.212 -15.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.085 17.991 -14.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.712 16.924 -15.699 1.00 0.00 H new ATOM 1603 N LEU A 104 -6.581 11.866 -10.615 1.00 0.00 N ATOM 1604 CA LEU A 104 -7.004 10.475 -10.935 1.00 0.00 C ATOM 1605 C LEU A 104 -7.916 9.951 -9.823 1.00 0.00 C ATOM 1606 O LEU A 104 -8.731 9.076 -10.037 1.00 0.00 O ATOM 1607 CB LEU A 104 -5.769 9.580 -11.053 1.00 0.00 C ATOM 1608 CG LEU A 104 -5.108 9.804 -12.413 1.00 0.00 C ATOM 1609 CD1 LEU A 104 -3.656 9.323 -12.364 1.00 0.00 C ATOM 1610 CD2 LEU A 104 -5.868 9.015 -13.483 1.00 0.00 C ATOM 0 H LEU A 104 -5.591 11.980 -10.397 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.546 10.467 -11.881 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.065 9.806 -10.252 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.053 8.533 -10.942 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.130 10.866 -12.656 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.187 9.484 -13.335 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.113 9.882 -11.602 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.633 8.261 -12.121 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.398 9.173 -14.454 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.845 7.953 -13.237 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.903 9.356 -13.520 1.00 0.00 H new ATOM 1622 N VAL A 105 -7.788 10.481 -8.638 1.00 0.00 N ATOM 1623 CA VAL A 105 -8.652 10.015 -7.517 1.00 0.00 C ATOM 1624 C VAL A 105 -10.083 10.508 -7.740 1.00 0.00 C ATOM 1625 O VAL A 105 -11.021 9.736 -7.752 1.00 0.00 O ATOM 1626 CB VAL A 105 -8.122 10.570 -6.194 1.00 0.00 C ATOM 1627 CG1 VAL A 105 -8.996 10.070 -5.042 1.00 0.00 C ATOM 1628 CG2 VAL A 105 -6.682 10.097 -5.983 1.00 0.00 C ATOM 0 H VAL A 105 -7.123 11.216 -8.397 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.642 8.926 -7.481 1.00 0.00 H new ATOM 0 HB VAL A 105 -8.147 11.659 -6.222 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.617 10.466 -4.100 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.022 10.407 -5.191 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -8.972 8.981 -5.013 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.304 10.492 -5.040 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -6.657 9.008 -5.956 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.058 10.454 -6.802 1.00 0.00 H new ATOM 1638 N ASN A 106 -10.257 11.789 -7.919 1.00 0.00 N ATOM 1639 CA ASN A 106 -11.627 12.331 -8.144 1.00 0.00 C ATOM 1640 C ASN A 106 -12.233 11.678 -9.387 1.00 0.00 C ATOM 1641 O ASN A 106 -13.360 11.222 -9.375 1.00 0.00 O ATOM 1642 CB ASN A 106 -11.552 13.846 -8.349 1.00 0.00 C ATOM 1643 CG ASN A 106 -12.015 14.557 -7.077 1.00 0.00 C ATOM 1644 OD1 ASN A 106 -12.984 15.290 -7.095 1.00 0.00 O ATOM 1645 ND2 ASN A 106 -11.357 14.373 -5.965 1.00 0.00 N ATOM 0 H ASN A 106 -9.510 12.483 -7.919 1.00 0.00 H new ATOM 0 HA ASN A 106 -12.250 12.114 -7.277 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -10.531 14.141 -8.592 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.178 14.141 -9.191 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -11.656 14.844 -5.111 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -10.544 13.758 -5.950 1.00 0.00 H new ATOM 1652 N LEU A 107 -11.495 11.632 -10.461 1.00 0.00 N ATOM 1653 CA LEU A 107 -12.026 11.009 -11.705 1.00 0.00 C ATOM 1654 C LEU A 107 -12.333 9.533 -11.447 1.00 0.00 C ATOM 1655 O LEU A 107 -13.374 9.031 -11.822 1.00 0.00 O ATOM 1656 CB LEU A 107 -10.981 11.125 -12.818 1.00 0.00 C ATOM 1657 CG LEU A 107 -11.339 10.167 -13.956 1.00 0.00 C ATOM 1658 CD1 LEU A 107 -11.047 10.838 -15.298 1.00 0.00 C ATOM 1659 CD2 LEU A 107 -10.500 8.893 -13.830 1.00 0.00 C ATOM 0 H LEU A 107 -10.546 11.999 -10.531 1.00 0.00 H new ATOM 0 HA LEU A 107 -12.939 11.522 -12.007 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -10.942 12.149 -13.189 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.991 10.889 -12.428 1.00 0.00 H new ATOM 0 HG LEU A 107 -12.398 9.914 -13.900 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.302 10.156 -16.109 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -11.642 11.747 -15.388 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -9.988 11.091 -15.356 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.753 8.209 -14.640 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.442 9.147 -13.888 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.707 8.414 -12.873 1.00 0.00 H new ATOM 1671 N ALA A 108 -11.436 8.831 -10.810 1.00 0.00 N ATOM 1672 CA ALA A 108 -11.677 7.388 -10.530 1.00 0.00 C ATOM 1673 C ALA A 108 -13.086 7.207 -9.960 1.00 0.00 C ATOM 1674 O ALA A 108 -13.893 6.475 -10.497 1.00 0.00 O ATOM 1675 CB ALA A 108 -10.648 6.886 -9.515 1.00 0.00 C ATOM 0 H ALA A 108 -10.546 9.195 -10.471 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.583 6.818 -11.455 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -10.824 5.830 -9.310 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -9.644 7.014 -9.921 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -10.741 7.456 -8.590 1.00 0.00 H new ATOM 1681 N GLU A 109 -13.387 7.866 -8.875 1.00 0.00 N ATOM 1682 CA GLU A 109 -14.743 7.730 -8.272 1.00 0.00 C ATOM 1683 C GLU A 109 -15.783 8.340 -9.212 1.00 0.00 C ATOM 1684 O GLU A 109 -16.959 8.043 -9.131 1.00 0.00 O ATOM 1685 CB GLU A 109 -14.779 8.458 -6.928 1.00 0.00 C ATOM 1686 CG GLU A 109 -14.488 7.467 -5.800 1.00 0.00 C ATOM 1687 CD GLU A 109 -13.291 6.594 -6.181 1.00 0.00 C ATOM 1688 OE1 GLU A 109 -12.460 7.062 -6.944 1.00 0.00 O ATOM 1689 OE2 GLU A 109 -13.225 5.473 -5.704 1.00 0.00 O ATOM 0 H GLU A 109 -12.753 8.493 -8.380 1.00 0.00 H new ATOM 0 HA GLU A 109 -14.968 6.675 -8.119 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -14.043 9.262 -6.918 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -15.756 8.918 -6.778 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -14.279 8.004 -4.875 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -15.362 6.843 -5.616 1.00 0.00 H new ATOM 1696 N LYS A 110 -15.362 9.195 -10.104 1.00 0.00 N ATOM 1697 CA LYS A 110 -16.328 9.825 -11.048 1.00 0.00 C ATOM 1698 C LYS A 110 -16.855 8.768 -12.020 1.00 0.00 C ATOM 1699 O LYS A 110 -17.974 8.842 -12.487 1.00 0.00 O ATOM 1700 CB LYS A 110 -15.626 10.934 -11.831 1.00 0.00 C ATOM 1701 CG LYS A 110 -16.670 11.874 -12.435 1.00 0.00 C ATOM 1702 CD LYS A 110 -16.123 12.485 -13.727 1.00 0.00 C ATOM 1703 CE LYS A 110 -17.235 13.259 -14.440 1.00 0.00 C ATOM 1704 NZ LYS A 110 -18.327 13.567 -13.474 1.00 0.00 N ATOM 0 H LYS A 110 -14.391 9.484 -10.220 1.00 0.00 H new ATOM 0 HA LYS A 110 -17.161 10.249 -10.487 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -14.958 11.490 -11.174 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -15.010 10.502 -12.620 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -17.591 11.328 -12.640 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -16.919 12.662 -11.725 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -15.290 13.150 -13.502 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -15.738 11.700 -14.378 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -16.837 14.182 -14.861 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -17.626 12.672 -15.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -19.016 14.206 -13.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -18.803 12.685 -13.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -17.926 14.025 -12.631 1.00 0.00 H new ATOM 1718 N PHE A 111 -16.057 7.783 -12.330 1.00 0.00 N ATOM 1719 CA PHE A 111 -16.513 6.723 -13.273 1.00 0.00 C ATOM 1720 C PHE A 111 -16.894 5.467 -12.486 1.00 0.00 C ATOM 1721 O PHE A 111 -18.057 5.164 -12.307 1.00 0.00 O ATOM 1722 CB PHE A 111 -15.385 6.392 -14.252 1.00 0.00 C ATOM 1723 CG PHE A 111 -15.490 7.289 -15.461 1.00 0.00 C ATOM 1724 CD1 PHE A 111 -16.580 7.167 -16.332 1.00 0.00 C ATOM 1725 CD2 PHE A 111 -14.498 8.244 -15.712 1.00 0.00 C ATOM 1726 CE1 PHE A 111 -16.677 8.000 -17.453 1.00 0.00 C ATOM 1727 CE2 PHE A 111 -14.595 9.077 -16.834 1.00 0.00 C ATOM 1728 CZ PHE A 111 -15.684 8.955 -17.704 1.00 0.00 C ATOM 0 H PHE A 111 -15.109 7.667 -11.971 1.00 0.00 H new ATOM 0 HA PHE A 111 -17.381 7.079 -13.827 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -14.418 6.527 -13.768 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -15.447 5.347 -14.555 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -17.346 6.430 -16.139 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -13.658 8.339 -15.040 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -17.518 7.906 -18.124 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -13.829 9.813 -17.028 1.00 0.00 H new ATOM 0 HZ PHE A 111 -15.759 9.597 -18.569 1.00 0.00 H new ATOM 1738 N ASP A 112 -15.922 4.732 -12.017 1.00 0.00 N ATOM 1739 CA ASP A 112 -16.230 3.496 -11.245 1.00 0.00 C ATOM 1740 C ASP A 112 -14.987 2.603 -11.194 1.00 0.00 C ATOM 1741 O ASP A 112 -15.054 1.410 -11.410 1.00 0.00 O ATOM 1742 CB ASP A 112 -17.376 2.743 -11.925 1.00 0.00 C ATOM 1743 CG ASP A 112 -18.678 2.999 -11.164 1.00 0.00 C ATOM 1744 OD1 ASP A 112 -18.742 3.991 -10.457 1.00 0.00 O ATOM 1745 OD2 ASP A 112 -19.588 2.198 -11.298 1.00 0.00 O ATOM 0 H ASP A 112 -14.929 4.934 -12.135 1.00 0.00 H new ATOM 0 HA ASP A 112 -16.525 3.764 -10.230 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -17.477 3.070 -12.960 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -17.160 1.675 -11.948 1.00 0.00 H new ATOM 1750 N ILE A 113 -13.848 3.174 -10.907 1.00 0.00 N ATOM 1751 CA ILE A 113 -12.603 2.360 -10.842 1.00 0.00 C ATOM 1752 C ILE A 113 -11.908 2.601 -9.500 1.00 0.00 C ATOM 1753 O ILE A 113 -12.033 3.655 -8.907 1.00 0.00 O ATOM 1754 CB ILE A 113 -11.668 2.766 -11.982 1.00 0.00 C ATOM 1755 CG1 ILE A 113 -11.536 4.290 -12.011 1.00 0.00 C ATOM 1756 CG2 ILE A 113 -12.246 2.281 -13.312 1.00 0.00 C ATOM 1757 CD1 ILE A 113 -10.470 4.690 -13.032 1.00 0.00 C ATOM 0 H ILE A 113 -13.727 4.168 -10.715 1.00 0.00 H new ATOM 0 HA ILE A 113 -12.853 1.303 -10.938 1.00 0.00 H new ATOM 0 HB ILE A 113 -10.687 2.317 -11.826 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -12.492 4.744 -12.271 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -11.266 4.661 -11.022 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -11.580 2.570 -14.125 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -12.344 1.196 -13.292 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -13.226 2.731 -13.468 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -10.376 5.776 -13.053 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -9.514 4.248 -12.752 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -10.760 4.332 -14.020 1.00 0.00 H new ATOM 1769 N ILE A 114 -11.178 1.634 -9.017 1.00 0.00 N ATOM 1770 CA ILE A 114 -10.479 1.809 -7.712 1.00 0.00 C ATOM 1771 C ILE A 114 -9.022 2.205 -7.959 1.00 0.00 C ATOM 1772 O ILE A 114 -8.223 1.414 -8.419 1.00 0.00 O ATOM 1773 CB ILE A 114 -10.527 0.494 -6.932 1.00 0.00 C ATOM 1774 CG1 ILE A 114 -9.463 0.517 -5.830 1.00 0.00 C ATOM 1775 CG2 ILE A 114 -10.250 -0.673 -7.880 1.00 0.00 C ATOM 1776 CD1 ILE A 114 -9.623 1.787 -4.991 1.00 0.00 C ATOM 0 H ILE A 114 -11.035 0.731 -9.469 1.00 0.00 H new ATOM 0 HA ILE A 114 -10.972 2.593 -7.137 1.00 0.00 H new ATOM 0 HB ILE A 114 -11.514 0.373 -6.485 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -9.561 -0.365 -5.197 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -8.467 0.483 -6.271 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -10.284 -1.610 -7.324 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -11.005 -0.690 -8.666 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -9.263 -0.552 -8.327 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -8.866 1.803 -4.207 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.503 2.662 -5.629 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -10.614 1.801 -4.538 1.00 0.00 H new ATOM 1788 N TYR A 115 -8.668 3.424 -7.651 1.00 0.00 N ATOM 1789 CA TYR A 115 -7.263 3.870 -7.864 1.00 0.00 C ATOM 1790 C TYR A 115 -6.444 3.580 -6.607 1.00 0.00 C ATOM 1791 O TYR A 115 -6.812 3.958 -5.512 1.00 0.00 O ATOM 1792 CB TYR A 115 -7.242 5.374 -8.148 1.00 0.00 C ATOM 1793 CG TYR A 115 -5.866 5.923 -7.853 1.00 0.00 C ATOM 1794 CD1 TYR A 115 -4.839 5.776 -8.794 1.00 0.00 C ATOM 1795 CD2 TYR A 115 -5.619 6.578 -6.642 1.00 0.00 C ATOM 1796 CE1 TYR A 115 -3.564 6.285 -8.521 1.00 0.00 C ATOM 1797 CE2 TYR A 115 -4.343 7.088 -6.369 1.00 0.00 C ATOM 1798 CZ TYR A 115 -3.316 6.941 -7.309 1.00 0.00 C ATOM 1799 OH TYR A 115 -2.059 7.444 -7.040 1.00 0.00 O ATOM 0 H TYR A 115 -9.293 4.130 -7.261 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.835 3.334 -8.711 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -7.505 5.562 -9.189 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.987 5.881 -7.535 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -5.031 5.271 -9.729 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -6.412 6.691 -5.917 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -2.771 6.172 -9.246 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -4.152 7.594 -5.434 1.00 0.00 H new ATOM 0 HH TYR A 115 -1.623 7.700 -7.879 1.00 0.00 H new ATOM 1809 N ASP A 116 -5.335 2.909 -6.751 1.00 0.00 N ATOM 1810 CA ASP A 116 -4.496 2.596 -5.561 1.00 0.00 C ATOM 1811 C ASP A 116 -3.238 1.848 -6.006 1.00 0.00 C ATOM 1812 O ASP A 116 -3.162 0.637 -5.924 1.00 0.00 O ATOM 1813 CB ASP A 116 -5.295 1.723 -4.591 1.00 0.00 C ATOM 1814 CG ASP A 116 -4.333 0.900 -3.732 1.00 0.00 C ATOM 1815 OD1 ASP A 116 -3.591 1.498 -2.970 1.00 0.00 O ATOM 1816 OD2 ASP A 116 -4.356 -0.314 -3.849 1.00 0.00 O ATOM 0 H ASP A 116 -4.974 2.564 -7.640 1.00 0.00 H new ATOM 0 HA ASP A 116 -4.209 3.522 -5.064 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -5.923 2.348 -3.956 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -5.961 1.061 -5.145 1.00 0.00 H new ATOM 1821 N GLY A 117 -2.248 2.557 -6.475 1.00 0.00 N ATOM 1822 CA GLY A 117 -0.996 1.884 -6.921 1.00 0.00 C ATOM 1823 C GLY A 117 -0.182 2.841 -7.795 1.00 0.00 C ATOM 1824 O GLY A 117 -0.242 2.792 -9.007 1.00 0.00 O ATOM 0 H GLY A 117 -2.252 3.573 -6.568 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -0.408 1.577 -6.056 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -1.237 0.980 -7.480 1.00 0.00 H new ATOM 1828 N TRP A 118 0.583 3.708 -7.189 1.00 0.00 N ATOM 1829 CA TRP A 118 1.402 4.663 -7.987 1.00 0.00 C ATOM 1830 C TRP A 118 2.881 4.475 -7.638 1.00 0.00 C ATOM 1831 O TRP A 118 3.252 4.416 -6.483 1.00 0.00 O ATOM 1832 CB TRP A 118 0.968 6.099 -7.669 1.00 0.00 C ATOM 1833 CG TRP A 118 1.787 6.639 -6.539 1.00 0.00 C ATOM 1834 CD1 TRP A 118 1.481 6.513 -5.227 1.00 0.00 C ATOM 1835 CD2 TRP A 118 3.037 7.385 -6.597 1.00 0.00 C ATOM 1836 NE1 TRP A 118 2.463 7.132 -4.477 1.00 0.00 N ATOM 1837 CE2 TRP A 118 3.444 7.686 -5.276 1.00 0.00 C ATOM 1838 CE3 TRP A 118 3.849 7.825 -7.658 1.00 0.00 C ATOM 1839 CZ2 TRP A 118 4.615 8.397 -5.015 1.00 0.00 C ATOM 1840 CZ3 TRP A 118 5.029 8.542 -7.398 1.00 0.00 C ATOM 1841 CH2 TRP A 118 5.411 8.828 -6.081 1.00 0.00 C ATOM 0 H TRP A 118 0.676 3.796 -6.177 1.00 0.00 H new ATOM 0 HA TRP A 118 1.256 4.474 -9.051 1.00 0.00 H new ATOM 0 HB2 TRP A 118 1.089 6.729 -8.551 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -0.089 6.119 -7.405 1.00 0.00 H new ATOM 0 HD1 TRP A 118 0.611 6.011 -4.830 1.00 0.00 H new ATOM 0 HE1 TRP A 118 2.463 7.175 -3.458 1.00 0.00 H new ATOM 0 HE3 TRP A 118 3.564 7.611 -8.677 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 4.905 8.613 -3.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 5.646 8.875 -8.219 1.00 0.00 H new ATOM 0 HH2 TRP A 118 6.319 9.381 -5.889 1.00 0.00 H new ATOM 1852 N GLY A 119 3.728 4.379 -8.626 1.00 0.00 N ATOM 1853 CA GLY A 119 5.178 4.194 -8.342 1.00 0.00 C ATOM 1854 C GLY A 119 6.006 5.043 -9.308 1.00 0.00 C ATOM 1855 O GLY A 119 5.513 5.523 -10.309 1.00 0.00 O ATOM 0 H GLY A 119 3.479 4.421 -9.614 1.00 0.00 H new ATOM 0 HA2 GLY A 119 5.396 4.480 -7.313 1.00 0.00 H new ATOM 0 HA3 GLY A 119 5.447 3.143 -8.445 1.00 0.00 H new ATOM 1859 N THR A 120 7.263 5.232 -9.013 1.00 0.00 N ATOM 1860 CA THR A 120 8.125 6.049 -9.912 1.00 0.00 C ATOM 1861 C THR A 120 9.482 5.360 -10.078 1.00 0.00 C ATOM 1862 O THR A 120 9.944 4.659 -9.199 1.00 0.00 O ATOM 1863 CB THR A 120 8.331 7.435 -9.295 1.00 0.00 C ATOM 1864 OG1 THR A 120 9.496 8.031 -9.848 1.00 0.00 O ATOM 1865 CG2 THR A 120 8.492 7.301 -7.781 1.00 0.00 C ATOM 0 H THR A 120 7.730 4.856 -8.188 1.00 0.00 H new ATOM 0 HA THR A 120 7.646 6.150 -10.886 1.00 0.00 H new ATOM 0 HB THR A 120 7.466 8.062 -9.512 1.00 0.00 H new ATOM 0 HG1 THR A 120 9.627 8.919 -9.455 1.00 0.00 H new ATOM 0 HG21 THR A 120 8.639 8.288 -7.342 1.00 0.00 H new ATOM 0 HG22 THR A 120 7.596 6.845 -7.359 1.00 0.00 H new ATOM 0 HG23 THR A 120 9.356 6.674 -7.561 1.00 0.00 H new ATOM 1873 N TYR A 121 10.124 5.553 -11.197 1.00 0.00 N ATOM 1874 CA TYR A 121 11.449 4.907 -11.416 1.00 0.00 C ATOM 1875 C TYR A 121 12.536 5.983 -11.486 1.00 0.00 C ATOM 1876 O TYR A 121 12.383 6.989 -12.150 1.00 0.00 O ATOM 1877 CB TYR A 121 11.424 4.121 -12.731 1.00 0.00 C ATOM 1878 CG TYR A 121 11.922 2.716 -12.492 1.00 0.00 C ATOM 1879 CD1 TYR A 121 13.230 2.504 -12.037 1.00 0.00 C ATOM 1880 CD2 TYR A 121 11.077 1.624 -12.725 1.00 0.00 C ATOM 1881 CE1 TYR A 121 13.692 1.202 -11.816 1.00 0.00 C ATOM 1882 CE2 TYR A 121 11.540 0.321 -12.504 1.00 0.00 C ATOM 1883 CZ TYR A 121 12.847 0.110 -12.049 1.00 0.00 C ATOM 1884 OH TYR A 121 13.302 -1.175 -11.831 1.00 0.00 O ATOM 0 H TYR A 121 9.789 6.130 -11.969 1.00 0.00 H new ATOM 0 HA TYR A 121 11.662 4.228 -10.591 1.00 0.00 H new ATOM 0 HB2 TYR A 121 10.411 4.095 -13.131 1.00 0.00 H new ATOM 0 HB3 TYR A 121 12.048 4.617 -13.475 1.00 0.00 H new ATOM 0 HD1 TYR A 121 13.882 3.346 -11.857 1.00 0.00 H new ATOM 0 HD2 TYR A 121 10.068 1.787 -13.075 1.00 0.00 H new ATOM 0 HE1 TYR A 121 14.701 1.039 -11.466 1.00 0.00 H new ATOM 0 HE2 TYR A 121 10.889 -0.521 -12.685 1.00 0.00 H new ATOM 0 HH TYR A 121 12.589 -1.814 -12.040 1.00 0.00 H new