USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=14 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 33 SER OG : rot -135:sc= 1.19 USER MOD Set 1.2: A 39 TYR OH : rot 32:sc= 0.552 USER MOD Single : A 17 GLN : amide:sc= -0.606 X(o=-0.61,f=-0.14) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 101:sc= 0.445 USER MOD Single : A 26 GLN :FLIP amide:sc= -4.15! C(o=-9.5!,f=-4.2!) USER MOD Single : A 43 HIS : no HD1:sc= -3.05! X(o=-3!,f=-2.7) USER MOD Single : A 44 HIS : no HD1:sc= -2.85! C(o=-2.9!,f=-4.6!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -165:sc= -0.117 (180deg=-0.987) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot 180:sc= -0.018 USER MOD Single : A 87 THR OG1 : rot -160:sc= -1.45 USER MOD Single : A 88 MET CE :methyl -178:sc= -8.81! (180deg=-8.92!) USER MOD Single : A 89 GLN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.491 K(o=-0.49,f=-2.6) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.134 K(o=-0.13,f=-1.7!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 70:sc= -2.1 USER MOD Single : A 120 THR OG1 : rot 103:sc= 0.539 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 156 N GLU A 11 -10.563 10.919 1.287 1.00 0.00 N ATOM 157 CA GLU A 11 -9.515 11.771 1.913 1.00 0.00 C ATOM 158 C GLU A 11 -8.459 10.877 2.565 1.00 0.00 C ATOM 159 O GLU A 11 -7.336 11.287 2.789 1.00 0.00 O ATOM 160 CB GLU A 11 -10.154 12.667 2.977 1.00 0.00 C ATOM 161 CG GLU A 11 -9.648 14.101 2.806 1.00 0.00 C ATOM 162 CD GLU A 11 -10.307 15.003 3.851 1.00 0.00 C ATOM 163 OE1 GLU A 11 -11.386 15.503 3.576 1.00 0.00 O ATOM 164 OE2 GLU A 11 -9.722 15.179 4.907 1.00 0.00 O ATOM 0 HA GLU A 11 -9.046 12.393 1.150 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.240 12.640 2.886 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.908 12.299 3.973 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.564 14.131 2.916 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.877 14.461 1.803 1.00 0.00 H new ATOM 171 N GLU A 12 -8.809 9.657 2.868 1.00 0.00 N ATOM 172 CA GLU A 12 -7.826 8.734 3.501 1.00 0.00 C ATOM 173 C GLU A 12 -6.821 8.265 2.449 1.00 0.00 C ATOM 174 O GLU A 12 -5.625 8.292 2.660 1.00 0.00 O ATOM 175 CB GLU A 12 -8.563 7.521 4.076 1.00 0.00 C ATOM 176 CG GLU A 12 -9.546 7.982 5.155 1.00 0.00 C ATOM 177 CD GLU A 12 -9.098 7.452 6.517 1.00 0.00 C ATOM 178 OE1 GLU A 12 -8.135 7.979 7.049 1.00 0.00 O ATOM 179 OE2 GLU A 12 -9.724 6.526 7.006 1.00 0.00 O ATOM 0 H GLU A 12 -9.734 9.260 2.704 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.301 9.254 4.302 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.097 6.998 3.283 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.848 6.815 4.499 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.595 9.071 5.175 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.549 7.622 4.925 1.00 0.00 H new ATOM 186 N LEU A 13 -7.300 7.834 1.315 1.00 0.00 N ATOM 187 CA LEU A 13 -6.377 7.362 0.245 1.00 0.00 C ATOM 188 C LEU A 13 -5.462 8.511 -0.183 1.00 0.00 C ATOM 189 O LEU A 13 -4.265 8.347 -0.321 1.00 0.00 O ATOM 190 CB LEU A 13 -7.194 6.884 -0.956 1.00 0.00 C ATOM 191 CG LEU A 13 -8.369 6.033 -0.469 1.00 0.00 C ATOM 192 CD1 LEU A 13 -8.964 5.260 -1.647 1.00 0.00 C ATOM 193 CD2 LEU A 13 -7.877 5.046 0.592 1.00 0.00 C ATOM 0 H LEU A 13 -8.292 7.788 1.083 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.771 6.539 0.623 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.561 7.739 -1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.564 6.302 -1.629 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.132 6.681 -0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.801 4.654 -1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.314 5.962 -2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.202 4.612 -2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.713 4.439 0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.113 4.399 0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.454 5.596 1.432 1.00 0.00 H new ATOM 205 N ILE A 14 -6.013 9.674 -0.397 1.00 0.00 N ATOM 206 CA ILE A 14 -5.176 10.833 -0.819 1.00 0.00 C ATOM 207 C ILE A 14 -4.154 11.151 0.275 1.00 0.00 C ATOM 208 O ILE A 14 -2.965 11.207 0.030 1.00 0.00 O ATOM 209 CB ILE A 14 -6.072 12.052 -1.048 1.00 0.00 C ATOM 210 CG1 ILE A 14 -6.893 11.847 -2.323 1.00 0.00 C ATOM 211 CG2 ILE A 14 -5.205 13.303 -1.196 1.00 0.00 C ATOM 212 CD1 ILE A 14 -8.019 12.882 -2.381 1.00 0.00 C ATOM 0 H ILE A 14 -7.009 9.872 -0.298 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.654 10.586 -1.743 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.743 12.175 -0.198 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.252 11.943 -3.199 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.310 10.840 -2.341 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.844 14.171 -1.359 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.619 13.449 -0.289 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.533 13.182 -2.046 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.602 12.734 -3.290 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -8.666 12.765 -1.511 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.592 13.885 -2.383 1.00 0.00 H new ATOM 224 N GLU A 15 -4.606 11.363 1.481 1.00 0.00 N ATOM 225 CA GLU A 15 -3.661 11.679 2.589 1.00 0.00 C ATOM 226 C GLU A 15 -2.558 10.620 2.639 1.00 0.00 C ATOM 227 O GLU A 15 -1.384 10.929 2.590 1.00 0.00 O ATOM 228 CB GLU A 15 -4.420 11.687 3.918 1.00 0.00 C ATOM 229 CG GLU A 15 -4.980 13.087 4.179 1.00 0.00 C ATOM 230 CD GLU A 15 -5.717 13.101 5.519 1.00 0.00 C ATOM 231 OE1 GLU A 15 -5.431 12.245 6.339 1.00 0.00 O ATOM 232 OE2 GLU A 15 -6.557 13.967 5.702 1.00 0.00 O ATOM 0 H GLU A 15 -5.590 11.331 1.747 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.215 12.659 2.417 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.231 10.959 3.890 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.755 11.393 4.730 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.171 13.818 4.189 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.659 13.374 3.376 1.00 0.00 H new ATOM 239 N ILE A 16 -2.926 9.373 2.740 1.00 0.00 N ATOM 240 CA ILE A 16 -1.900 8.293 2.798 1.00 0.00 C ATOM 241 C ILE A 16 -0.862 8.506 1.694 1.00 0.00 C ATOM 242 O ILE A 16 0.314 8.264 1.881 1.00 0.00 O ATOM 243 CB ILE A 16 -2.579 6.936 2.603 1.00 0.00 C ATOM 244 CG1 ILE A 16 -3.207 6.489 3.925 1.00 0.00 C ATOM 245 CG2 ILE A 16 -1.542 5.904 2.157 1.00 0.00 C ATOM 246 CD1 ILE A 16 -4.038 5.226 3.697 1.00 0.00 C ATOM 0 H ILE A 16 -3.894 9.054 2.785 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.404 8.319 3.768 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.354 7.023 1.841 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.428 6.296 4.662 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.836 7.283 4.327 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.027 4.938 2.018 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.093 6.223 1.217 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.767 5.815 2.918 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.484 4.909 4.640 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.827 5.435 2.974 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.396 4.432 3.315 1.00 0.00 H new ATOM 258 N GLN A 17 -1.285 8.957 0.545 1.00 0.00 N ATOM 259 CA GLN A 17 -0.317 9.181 -0.567 1.00 0.00 C ATOM 260 C GLN A 17 0.522 10.428 -0.274 1.00 0.00 C ATOM 261 O GLN A 17 1.693 10.486 -0.589 1.00 0.00 O ATOM 262 CB GLN A 17 -1.082 9.378 -1.878 1.00 0.00 C ATOM 263 CG GLN A 17 -0.853 8.171 -2.789 1.00 0.00 C ATOM 264 CD GLN A 17 -1.432 6.916 -2.132 1.00 0.00 C ATOM 265 OE1 GLN A 17 -0.706 6.004 -1.790 1.00 0.00 O ATOM 266 NE2 GLN A 17 -2.720 6.830 -1.941 1.00 0.00 N ATOM 0 H GLN A 17 -2.256 9.180 0.328 1.00 0.00 H new ATOM 0 HA GLN A 17 0.339 8.315 -0.655 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.146 9.498 -1.676 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.747 10.289 -2.373 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.325 8.338 -3.757 1.00 0.00 H new ATOM 0 HG3 GLN A 17 0.213 8.039 -2.973 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.330 7.595 -2.228 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.116 5.998 -1.505 1.00 0.00 H new ATOM 275 N LYS A 18 -0.067 11.424 0.327 1.00 0.00 N ATOM 276 CA LYS A 18 0.699 12.664 0.638 1.00 0.00 C ATOM 277 C LYS A 18 1.880 12.323 1.550 1.00 0.00 C ATOM 278 O LYS A 18 2.984 12.791 1.353 1.00 0.00 O ATOM 279 CB LYS A 18 -0.216 13.662 1.349 1.00 0.00 C ATOM 280 CG LYS A 18 -0.990 14.479 0.312 1.00 0.00 C ATOM 281 CD LYS A 18 -1.682 15.654 1.004 1.00 0.00 C ATOM 282 CE LYS A 18 -2.762 16.230 0.086 1.00 0.00 C ATOM 283 NZ LYS A 18 -3.793 16.924 0.908 1.00 0.00 N ATOM 0 H LYS A 18 -1.045 11.433 0.616 1.00 0.00 H new ATOM 0 HA LYS A 18 1.070 13.102 -0.289 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.910 13.133 2.002 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.374 14.325 1.982 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.312 14.845 -0.459 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.728 13.850 -0.186 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.127 15.325 1.943 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.952 16.425 1.250 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.317 16.927 -0.624 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.222 15.432 -0.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.528 17.316 0.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.224 16.246 1.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.347 17.695 1.445 1.00 0.00 H new ATOM 297 N GLU A 19 1.655 11.515 2.550 1.00 0.00 N ATOM 298 CA GLU A 19 2.763 11.149 3.478 1.00 0.00 C ATOM 299 C GLU A 19 3.785 10.278 2.743 1.00 0.00 C ATOM 300 O GLU A 19 4.959 10.584 2.700 1.00 0.00 O ATOM 301 CB GLU A 19 2.193 10.374 4.667 1.00 0.00 C ATOM 302 CG GLU A 19 3.025 10.670 5.917 1.00 0.00 C ATOM 303 CD GLU A 19 2.298 10.135 7.152 1.00 0.00 C ATOM 304 OE1 GLU A 19 1.079 10.097 7.128 1.00 0.00 O ATOM 305 OE2 GLU A 19 2.973 9.772 8.102 1.00 0.00 O ATOM 0 H GLU A 19 0.752 11.092 2.765 1.00 0.00 H new ATOM 0 HA GLU A 19 3.253 12.056 3.833 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.154 10.657 4.834 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.203 9.305 4.456 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.008 10.206 5.831 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.187 11.744 6.014 1.00 0.00 H new ATOM 312 N GLU A 20 3.347 9.191 2.169 1.00 0.00 N ATOM 313 CA GLU A 20 4.292 8.297 1.443 1.00 0.00 C ATOM 314 C GLU A 20 5.031 9.093 0.365 1.00 0.00 C ATOM 315 O GLU A 20 6.143 8.769 -0.004 1.00 0.00 O ATOM 316 CB GLU A 20 3.508 7.159 0.786 1.00 0.00 C ATOM 317 CG GLU A 20 4.426 5.950 0.591 1.00 0.00 C ATOM 318 CD GLU A 20 4.266 4.991 1.772 1.00 0.00 C ATOM 319 OE1 GLU A 20 3.170 4.486 1.957 1.00 0.00 O ATOM 320 OE2 GLU A 20 5.241 4.779 2.473 1.00 0.00 O ATOM 0 H GLU A 20 2.374 8.883 2.172 1.00 0.00 H new ATOM 0 HA GLU A 20 5.015 7.887 2.148 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.656 6.885 1.407 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.110 7.485 -0.175 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.180 5.440 -0.341 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.463 6.277 0.512 1.00 0.00 H new ATOM 327 N THR A 21 4.426 10.129 -0.147 1.00 0.00 N ATOM 328 CA THR A 21 5.099 10.937 -1.204 1.00 0.00 C ATOM 329 C THR A 21 6.303 11.669 -0.606 1.00 0.00 C ATOM 330 O THR A 21 7.407 11.576 -1.105 1.00 0.00 O ATOM 331 CB THR A 21 4.112 11.960 -1.773 1.00 0.00 C ATOM 332 OG1 THR A 21 2.963 11.282 -2.265 1.00 0.00 O ATOM 333 CG2 THR A 21 4.776 12.734 -2.912 1.00 0.00 C ATOM 0 H THR A 21 3.496 10.451 0.120 1.00 0.00 H new ATOM 0 HA THR A 21 5.438 10.275 -2.001 1.00 0.00 H new ATOM 0 HB THR A 21 3.817 12.657 -0.988 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.236 11.353 -1.611 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.072 13.462 -3.316 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.657 13.252 -2.534 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.072 12.040 -3.699 1.00 0.00 H new ATOM 341 N ARG A 22 6.101 12.396 0.457 1.00 0.00 N ATOM 342 CA ARG A 22 7.236 13.133 1.080 1.00 0.00 C ATOM 343 C ARG A 22 8.333 12.142 1.474 1.00 0.00 C ATOM 344 O ARG A 22 9.499 12.481 1.533 1.00 0.00 O ATOM 345 CB ARG A 22 6.743 13.873 2.325 1.00 0.00 C ATOM 346 CG ARG A 22 6.380 15.313 1.952 1.00 0.00 C ATOM 347 CD ARG A 22 5.332 15.845 2.930 1.00 0.00 C ATOM 348 NE ARG A 22 5.743 15.520 4.324 1.00 0.00 N ATOM 349 CZ ARG A 22 5.172 16.121 5.330 1.00 0.00 C ATOM 350 NH1 ARG A 22 4.242 17.011 5.116 1.00 0.00 N ATOM 351 NH2 ARG A 22 5.530 15.833 6.552 1.00 0.00 N ATOM 0 H ARG A 22 5.200 12.512 0.921 1.00 0.00 H new ATOM 0 HA ARG A 22 7.637 13.853 0.366 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.875 13.364 2.743 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.516 13.869 3.094 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.270 15.942 1.978 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.994 15.350 0.933 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.225 16.923 2.813 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.360 15.403 2.714 1.00 0.00 H new ATOM 0 HE ARG A 22 6.472 14.827 4.492 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.962 17.236 4.162 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.795 17.481 5.903 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.257 15.137 6.720 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.083 16.304 7.339 1.00 0.00 H new ATOM 365 N ASP A 23 7.971 10.917 1.745 1.00 0.00 N ATOM 366 CA ASP A 23 8.994 9.905 2.136 1.00 0.00 C ATOM 367 C ASP A 23 9.792 9.482 0.900 1.00 0.00 C ATOM 368 O ASP A 23 11.006 9.511 0.893 1.00 0.00 O ATOM 369 CB ASP A 23 8.297 8.682 2.739 1.00 0.00 C ATOM 370 CG ASP A 23 8.807 8.452 4.163 1.00 0.00 C ATOM 371 OD1 ASP A 23 8.348 9.146 5.055 1.00 0.00 O ATOM 372 OD2 ASP A 23 9.649 7.586 4.337 1.00 0.00 O ATOM 0 H ASP A 23 7.011 10.573 1.713 1.00 0.00 H new ATOM 0 HA ASP A 23 9.670 10.337 2.873 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.218 8.834 2.748 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.490 7.802 2.126 1.00 0.00 H new ATOM 377 N ILE A 24 9.118 9.087 -0.146 1.00 0.00 N ATOM 378 CA ILE A 24 9.837 8.661 -1.379 1.00 0.00 C ATOM 379 C ILE A 24 10.647 9.837 -1.928 1.00 0.00 C ATOM 380 O ILE A 24 11.842 9.740 -2.129 1.00 0.00 O ATOM 381 CB ILE A 24 8.823 8.200 -2.427 1.00 0.00 C ATOM 382 CG1 ILE A 24 8.175 6.893 -1.964 1.00 0.00 C ATOM 383 CG2 ILE A 24 9.534 7.971 -3.762 1.00 0.00 C ATOM 384 CD1 ILE A 24 6.934 6.604 -2.812 1.00 0.00 C ATOM 0 H ILE A 24 8.100 9.041 -0.199 1.00 0.00 H new ATOM 0 HA ILE A 24 10.511 7.837 -1.142 1.00 0.00 H new ATOM 0 HB ILE A 24 8.056 8.964 -2.552 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.887 6.072 -2.052 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.900 6.965 -0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.810 7.642 -4.508 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.998 8.901 -4.091 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.301 7.206 -3.639 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.475 5.673 -2.480 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.220 7.420 -2.702 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.222 6.513 -3.859 1.00 0.00 H new ATOM 396 N ILE A 25 10.009 10.950 -2.173 1.00 0.00 N ATOM 397 CA ILE A 25 10.748 12.128 -2.707 1.00 0.00 C ATOM 398 C ILE A 25 11.923 12.450 -1.778 1.00 0.00 C ATOM 399 O ILE A 25 12.963 12.906 -2.212 1.00 0.00 O ATOM 400 CB ILE A 25 9.804 13.333 -2.785 1.00 0.00 C ATOM 401 CG1 ILE A 25 9.101 13.342 -4.145 1.00 0.00 C ATOM 402 CG2 ILE A 25 10.605 14.626 -2.621 1.00 0.00 C ATOM 403 CD1 ILE A 25 8.542 11.949 -4.444 1.00 0.00 C ATOM 0 H ILE A 25 9.010 11.093 -2.026 1.00 0.00 H new ATOM 0 HA ILE A 25 11.125 11.904 -3.705 1.00 0.00 H new ATOM 0 HB ILE A 25 9.063 13.262 -1.989 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.295 14.076 -4.144 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.801 13.639 -4.926 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.931 15.481 -2.677 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.107 14.623 -1.654 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.348 14.697 -3.415 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.042 11.958 -5.413 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.358 11.226 -4.463 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.828 11.670 -3.669 1.00 0.00 H new ATOM 415 N GLN A 26 11.767 12.216 -0.503 1.00 0.00 N ATOM 416 CA GLN A 26 12.874 12.509 0.451 1.00 0.00 C ATOM 417 C GLN A 26 14.030 11.533 0.213 1.00 0.00 C ATOM 418 O GLN A 26 15.147 11.931 -0.052 1.00 0.00 O ATOM 419 CB GLN A 26 12.357 12.356 1.887 1.00 0.00 C ATOM 420 CG GLN A 26 13.503 11.927 2.809 1.00 0.00 C ATOM 421 CD GLN A 26 14.699 12.859 2.608 1.00 0.00 C ATOM 422 OE1 GLN A 26 15.833 12.364 2.191 1.00 0.00 O flip ATOM 423 NE2 GLN A 26 14.603 14.049 2.832 1.00 0.00 N flip ATOM 0 H GLN A 26 10.920 11.834 -0.081 1.00 0.00 H new ATOM 0 HA GLN A 26 13.229 13.528 0.297 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.933 13.299 2.233 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.557 11.617 1.918 1.00 0.00 H new ATOM 0 HG2 GLN A 26 13.177 11.956 3.849 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.791 10.898 2.594 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.718 14.437 3.158 1.00 0.00 H new ATOM 0 HE22 GLN A 26 15.408 14.660 2.694 1.00 0.00 H new ATOM 432 N ALA A 27 13.771 10.257 0.307 1.00 0.00 N ATOM 433 CA ALA A 27 14.855 9.257 0.092 1.00 0.00 C ATOM 434 C ALA A 27 15.543 9.519 -1.251 1.00 0.00 C ATOM 435 O ALA A 27 16.751 9.624 -1.329 1.00 0.00 O ATOM 436 CB ALA A 27 14.254 7.848 0.093 1.00 0.00 C ATOM 0 H ALA A 27 12.855 9.864 0.524 1.00 0.00 H new ATOM 0 HA ALA A 27 15.589 9.342 0.893 1.00 0.00 H new ATOM 0 HB1 ALA A 27 15.045 7.115 -0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.770 7.660 1.051 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.519 7.765 -0.707 1.00 0.00 H new ATOM 442 N LEU A 28 14.786 9.621 -2.308 1.00 0.00 N ATOM 443 CA LEU A 28 15.400 9.870 -3.644 1.00 0.00 C ATOM 444 C LEU A 28 16.213 11.165 -3.602 1.00 0.00 C ATOM 445 O LEU A 28 17.346 11.211 -4.036 1.00 0.00 O ATOM 446 CB LEU A 28 14.298 9.996 -4.698 1.00 0.00 C ATOM 447 CG LEU A 28 14.002 8.617 -5.291 1.00 0.00 C ATOM 448 CD1 LEU A 28 12.504 8.489 -5.567 1.00 0.00 C ATOM 449 CD2 LEU A 28 14.778 8.451 -6.599 1.00 0.00 C ATOM 0 H LEU A 28 13.769 9.543 -2.305 1.00 0.00 H new ATOM 0 HA LEU A 28 16.056 9.038 -3.900 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.396 10.412 -4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 28 14.609 10.683 -5.485 1.00 0.00 H new ATOM 0 HG LEU A 28 14.306 7.844 -4.585 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.295 7.506 -5.989 1.00 0.00 H new ATOM 0 HD12 LEU A 28 11.951 8.609 -4.635 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.197 9.260 -6.273 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.569 7.469 -7.024 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.472 9.224 -7.304 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.846 8.541 -6.402 1.00 0.00 H new ATOM 461 N LEU A 29 15.643 12.217 -3.084 1.00 0.00 N ATOM 462 CA LEU A 29 16.386 13.506 -3.016 1.00 0.00 C ATOM 463 C LEU A 29 17.728 13.282 -2.318 1.00 0.00 C ATOM 464 O LEU A 29 18.757 13.749 -2.765 1.00 0.00 O ATOM 465 CB LEU A 29 15.564 14.526 -2.227 1.00 0.00 C ATOM 466 CG LEU A 29 14.662 15.306 -3.185 1.00 0.00 C ATOM 467 CD1 LEU A 29 13.736 16.222 -2.384 1.00 0.00 C ATOM 468 CD2 LEU A 29 15.527 16.151 -4.122 1.00 0.00 C ATOM 0 H LEU A 29 14.696 12.240 -2.705 1.00 0.00 H new ATOM 0 HA LEU A 29 16.559 13.881 -4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.960 14.018 -1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.226 15.210 -1.696 1.00 0.00 H new ATOM 0 HG LEU A 29 14.064 14.608 -3.770 1.00 0.00 H new ATOM 0 HD11 LEU A 29 13.094 16.777 -3.067 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.120 15.621 -1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.333 16.921 -1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.886 16.708 -4.806 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.124 16.849 -3.535 1.00 0.00 H new ATOM 0 HD23 LEU A 29 16.188 15.499 -4.694 1.00 0.00 H new ATOM 480 N GLU A 30 17.727 12.568 -1.226 1.00 0.00 N ATOM 481 CA GLU A 30 19.003 12.312 -0.502 1.00 0.00 C ATOM 482 C GLU A 30 19.893 11.397 -1.345 1.00 0.00 C ATOM 483 O GLU A 30 21.104 11.472 -1.294 1.00 0.00 O ATOM 484 CB GLU A 30 18.702 11.636 0.837 1.00 0.00 C ATOM 485 CG GLU A 30 18.859 12.649 1.972 1.00 0.00 C ATOM 486 CD GLU A 30 18.385 12.024 3.285 1.00 0.00 C ATOM 487 OE1 GLU A 30 18.422 10.809 3.387 1.00 0.00 O ATOM 488 OE2 GLU A 30 17.992 12.771 4.167 1.00 0.00 O ATOM 0 H GLU A 30 16.897 12.151 -0.804 1.00 0.00 H new ATOM 0 HA GLU A 30 19.517 13.257 -0.326 1.00 0.00 H new ATOM 0 HB2 GLU A 30 17.689 11.234 0.833 1.00 0.00 H new ATOM 0 HB3 GLU A 30 19.378 10.795 0.991 1.00 0.00 H new ATOM 0 HG2 GLU A 30 19.902 12.955 2.058 1.00 0.00 H new ATOM 0 HG3 GLU A 30 18.280 13.547 1.755 1.00 0.00 H new ATOM 495 N ASP A 31 19.301 10.532 -2.124 1.00 0.00 N ATOM 496 CA ASP A 31 20.111 9.613 -2.970 1.00 0.00 C ATOM 497 C ASP A 31 20.959 10.432 -3.946 1.00 0.00 C ATOM 498 O ASP A 31 22.083 10.087 -4.247 1.00 0.00 O ATOM 499 CB ASP A 31 19.181 8.684 -3.754 1.00 0.00 C ATOM 500 CG ASP A 31 18.859 7.452 -2.906 1.00 0.00 C ATOM 501 OD1 ASP A 31 19.288 7.414 -1.764 1.00 0.00 O ATOM 502 OD2 ASP A 31 18.189 6.567 -3.413 1.00 0.00 O ATOM 0 H ASP A 31 18.290 10.423 -2.210 1.00 0.00 H new ATOM 0 HA ASP A 31 20.765 9.016 -2.334 1.00 0.00 H new ATOM 0 HB2 ASP A 31 18.262 9.208 -4.017 1.00 0.00 H new ATOM 0 HB3 ASP A 31 19.654 8.382 -4.689 1.00 0.00 H new ATOM 507 N GLY A 32 20.430 11.519 -4.440 1.00 0.00 N ATOM 508 CA GLY A 32 21.211 12.358 -5.390 1.00 0.00 C ATOM 509 C GLY A 32 20.433 12.528 -6.697 1.00 0.00 C ATOM 510 O GLY A 32 20.979 12.926 -7.707 1.00 0.00 O ATOM 0 H GLY A 32 19.493 11.861 -4.227 1.00 0.00 H new ATOM 0 HA2 GLY A 32 21.412 13.333 -4.947 1.00 0.00 H new ATOM 0 HA3 GLY A 32 22.177 11.894 -5.589 1.00 0.00 H new ATOM 514 N SER A 33 19.162 12.232 -6.689 1.00 0.00 N ATOM 515 CA SER A 33 18.358 12.382 -7.934 1.00 0.00 C ATOM 516 C SER A 33 18.631 13.756 -8.550 1.00 0.00 C ATOM 517 O SER A 33 19.457 14.507 -8.071 1.00 0.00 O ATOM 518 CB SER A 33 16.871 12.257 -7.601 1.00 0.00 C ATOM 519 OG SER A 33 16.178 11.742 -8.730 1.00 0.00 O ATOM 0 H SER A 33 18.647 11.894 -5.876 1.00 0.00 H new ATOM 0 HA SER A 33 18.635 11.602 -8.644 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.733 11.598 -6.744 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.466 13.230 -7.324 1.00 0.00 H new ATOM 0 HG SER A 33 15.354 12.254 -8.869 1.00 0.00 H new ATOM 525 N ASP A 34 17.945 14.093 -9.609 1.00 0.00 N ATOM 526 CA ASP A 34 18.171 15.419 -10.250 1.00 0.00 C ATOM 527 C ASP A 34 16.835 15.986 -10.736 1.00 0.00 C ATOM 528 O ASP A 34 16.430 15.770 -11.861 1.00 0.00 O ATOM 529 CB ASP A 34 19.119 15.253 -11.440 1.00 0.00 C ATOM 530 CG ASP A 34 20.526 15.702 -11.040 1.00 0.00 C ATOM 531 OD1 ASP A 34 20.850 15.589 -9.870 1.00 0.00 O ATOM 532 OD2 ASP A 34 21.253 16.150 -11.911 1.00 0.00 O ATOM 0 H ASP A 34 17.239 13.508 -10.057 1.00 0.00 H new ATOM 0 HA ASP A 34 18.613 16.103 -9.525 1.00 0.00 H new ATOM 0 HB2 ASP A 34 19.136 14.212 -11.762 1.00 0.00 H new ATOM 0 HB3 ASP A 34 18.765 15.842 -12.286 1.00 0.00 H new ATOM 537 N PRO A 35 16.158 16.709 -9.886 1.00 0.00 N ATOM 538 CA PRO A 35 14.840 17.327 -10.216 1.00 0.00 C ATOM 539 C PRO A 35 14.903 18.190 -11.481 1.00 0.00 C ATOM 540 O PRO A 35 13.893 18.511 -12.075 1.00 0.00 O ATOM 541 CB PRO A 35 14.519 18.197 -8.998 1.00 0.00 C ATOM 542 CG PRO A 35 15.342 17.647 -7.879 1.00 0.00 C ATOM 543 CD PRO A 35 16.580 17.016 -8.511 1.00 0.00 C ATOM 0 HA PRO A 35 14.084 16.568 -10.418 1.00 0.00 H new ATOM 0 HB2 PRO A 35 14.765 19.242 -9.188 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.456 18.158 -8.758 1.00 0.00 H new ATOM 0 HG2 PRO A 35 15.623 18.436 -7.182 1.00 0.00 H new ATOM 0 HG3 PRO A 35 14.778 16.907 -7.312 1.00 0.00 H new ATOM 0 HD2 PRO A 35 17.428 17.700 -8.497 1.00 0.00 H new ATOM 0 HD3 PRO A 35 16.887 16.117 -7.977 1.00 0.00 H new ATOM 551 N ASP A 36 16.081 18.572 -11.893 1.00 0.00 N ATOM 552 CA ASP A 36 16.206 19.417 -13.115 1.00 0.00 C ATOM 553 C ASP A 36 16.323 18.521 -14.350 1.00 0.00 C ATOM 554 O ASP A 36 16.661 18.972 -15.427 1.00 0.00 O ATOM 555 CB ASP A 36 17.456 20.294 -13.004 1.00 0.00 C ATOM 556 CG ASP A 36 18.609 19.467 -12.429 1.00 0.00 C ATOM 557 OD1 ASP A 36 19.063 18.565 -13.112 1.00 0.00 O ATOM 558 OD2 ASP A 36 19.018 19.754 -11.316 1.00 0.00 O ATOM 0 H ASP A 36 16.962 18.336 -11.437 1.00 0.00 H new ATOM 0 HA ASP A 36 15.323 20.049 -13.208 1.00 0.00 H new ATOM 0 HB2 ASP A 36 17.728 20.684 -13.985 1.00 0.00 H new ATOM 0 HB3 ASP A 36 17.255 21.153 -12.363 1.00 0.00 H new ATOM 563 N ALA A 37 16.046 17.254 -14.205 1.00 0.00 N ATOM 564 CA ALA A 37 16.144 16.331 -15.372 1.00 0.00 C ATOM 565 C ALA A 37 14.780 15.687 -15.629 1.00 0.00 C ATOM 566 O ALA A 37 14.689 14.598 -16.160 1.00 0.00 O ATOM 567 CB ALA A 37 17.176 15.241 -15.074 1.00 0.00 C ATOM 0 H ALA A 37 15.756 16.818 -13.330 1.00 0.00 H new ATOM 0 HA ALA A 37 16.452 16.892 -16.254 1.00 0.00 H new ATOM 0 HB1 ALA A 37 17.248 14.566 -15.927 1.00 0.00 H new ATOM 0 HB2 ALA A 37 18.148 15.700 -14.891 1.00 0.00 H new ATOM 0 HB3 ALA A 37 16.868 14.680 -14.192 1.00 0.00 H new ATOM 573 N LEU A 38 13.719 16.349 -15.257 1.00 0.00 N ATOM 574 CA LEU A 38 12.366 15.770 -15.482 1.00 0.00 C ATOM 575 C LEU A 38 12.292 14.387 -14.833 1.00 0.00 C ATOM 576 O LEU A 38 13.300 13.768 -14.555 1.00 0.00 O ATOM 577 CB LEU A 38 12.109 15.645 -16.986 1.00 0.00 C ATOM 578 CG LEU A 38 11.686 17.005 -17.546 1.00 0.00 C ATOM 579 CD1 LEU A 38 11.775 16.979 -19.073 1.00 0.00 C ATOM 580 CD2 LEU A 38 10.244 17.309 -17.127 1.00 0.00 C ATOM 0 H LEU A 38 13.731 17.265 -14.808 1.00 0.00 H new ATOM 0 HA LEU A 38 11.612 16.420 -15.039 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.009 15.296 -17.492 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.331 14.905 -17.173 1.00 0.00 H new ATOM 0 HG LEU A 38 12.348 17.777 -17.154 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.474 17.948 -19.472 1.00 0.00 H new ATOM 0 HD12 LEU A 38 12.801 16.766 -19.374 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.114 16.205 -19.463 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.945 18.278 -17.527 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.581 16.536 -17.516 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.178 17.330 -16.039 1.00 0.00 H new ATOM 592 N TYR A 39 11.107 13.897 -14.589 1.00 0.00 N ATOM 593 CA TYR A 39 10.972 12.554 -13.957 1.00 0.00 C ATOM 594 C TYR A 39 9.789 11.813 -14.584 1.00 0.00 C ATOM 595 O TYR A 39 9.030 12.373 -15.350 1.00 0.00 O ATOM 596 CB TYR A 39 10.736 12.720 -12.453 1.00 0.00 C ATOM 597 CG TYR A 39 11.757 11.912 -11.684 1.00 0.00 C ATOM 598 CD1 TYR A 39 13.064 12.392 -11.539 1.00 0.00 C ATOM 599 CD2 TYR A 39 11.394 10.685 -11.116 1.00 0.00 C ATOM 600 CE1 TYR A 39 14.008 11.645 -10.826 1.00 0.00 C ATOM 601 CE2 TYR A 39 12.339 9.938 -10.402 1.00 0.00 C ATOM 602 CZ TYR A 39 13.646 10.417 -10.258 1.00 0.00 C ATOM 603 OH TYR A 39 14.577 9.680 -9.553 1.00 0.00 O ATOM 0 H TYR A 39 10.227 14.368 -14.800 1.00 0.00 H new ATOM 0 HA TYR A 39 11.885 11.981 -14.119 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.809 13.772 -12.178 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.729 12.392 -12.195 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.344 13.339 -11.977 1.00 0.00 H new ATOM 0 HD2 TYR A 39 10.386 10.315 -11.228 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.016 12.015 -10.714 1.00 0.00 H new ATOM 0 HE2 TYR A 39 12.059 8.992 -9.962 1.00 0.00 H new ATOM 0 HH TYR A 39 15.207 10.286 -9.110 1.00 0.00 H new ATOM 613 N GLU A 40 9.626 10.557 -14.267 1.00 0.00 N ATOM 614 CA GLU A 40 8.492 9.784 -14.850 1.00 0.00 C ATOM 615 C GLU A 40 7.625 9.215 -13.724 1.00 0.00 C ATOM 616 O GLU A 40 8.112 8.580 -12.811 1.00 0.00 O ATOM 617 CB GLU A 40 9.041 8.635 -15.699 1.00 0.00 C ATOM 618 CG GLU A 40 8.181 8.473 -16.953 1.00 0.00 C ATOM 619 CD GLU A 40 8.539 7.160 -17.652 1.00 0.00 C ATOM 620 OE1 GLU A 40 8.619 6.152 -16.970 1.00 0.00 O ATOM 621 OE2 GLU A 40 8.727 7.186 -18.858 1.00 0.00 O ATOM 0 H GLU A 40 10.228 10.034 -13.631 1.00 0.00 H new ATOM 0 HA GLU A 40 7.889 10.443 -15.474 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.075 8.836 -15.978 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.041 7.710 -15.122 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.124 8.478 -16.685 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.343 9.313 -17.629 1.00 0.00 H new ATOM 628 N ILE A 41 6.339 9.435 -13.788 1.00 0.00 N ATOM 629 CA ILE A 41 5.438 8.904 -12.726 1.00 0.00 C ATOM 630 C ILE A 41 4.379 8.004 -13.367 1.00 0.00 C ATOM 631 O ILE A 41 3.724 8.382 -14.319 1.00 0.00 O ATOM 632 CB ILE A 41 4.753 10.068 -12.008 1.00 0.00 C ATOM 633 CG1 ILE A 41 5.786 10.829 -11.174 1.00 0.00 C ATOM 634 CG2 ILE A 41 3.657 9.527 -11.087 1.00 0.00 C ATOM 635 CD1 ILE A 41 6.736 11.587 -12.102 1.00 0.00 C ATOM 0 H ILE A 41 5.874 9.959 -14.529 1.00 0.00 H new ATOM 0 HA ILE A 41 6.020 8.329 -12.006 1.00 0.00 H new ATOM 0 HB ILE A 41 4.311 10.739 -12.744 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.284 11.526 -10.503 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.348 10.134 -10.550 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.169 10.357 -10.576 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.921 8.982 -11.678 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.099 8.856 -10.350 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.471 12.129 -11.507 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.248 10.880 -12.755 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.167 12.293 -12.707 1.00 0.00 H new ATOM 647 N GLU A 42 4.207 6.816 -12.857 1.00 0.00 N ATOM 648 CA GLU A 42 3.190 5.896 -13.442 1.00 0.00 C ATOM 649 C GLU A 42 2.099 5.617 -12.407 1.00 0.00 C ATOM 650 O GLU A 42 2.357 5.552 -11.221 1.00 0.00 O ATOM 651 CB GLU A 42 3.862 4.581 -13.841 1.00 0.00 C ATOM 652 CG GLU A 42 4.677 4.045 -12.663 1.00 0.00 C ATOM 653 CD GLU A 42 5.142 2.621 -12.969 1.00 0.00 C ATOM 654 OE1 GLU A 42 5.750 2.426 -14.009 1.00 0.00 O ATOM 655 OE2 GLU A 42 4.882 1.747 -12.158 1.00 0.00 O ATOM 0 H GLU A 42 4.725 6.442 -12.062 1.00 0.00 H new ATOM 0 HA GLU A 42 2.745 6.359 -14.323 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.109 3.851 -14.138 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.510 4.739 -14.703 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.538 4.688 -12.480 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.073 4.054 -11.755 1.00 0.00 H new ATOM 662 N HIS A 43 0.882 5.450 -12.847 1.00 0.00 N ATOM 663 CA HIS A 43 -0.224 5.173 -11.889 1.00 0.00 C ATOM 664 C HIS A 43 -0.893 3.846 -12.250 1.00 0.00 C ATOM 665 O HIS A 43 -0.868 3.415 -13.386 1.00 0.00 O ATOM 666 CB HIS A 43 -1.256 6.301 -11.963 1.00 0.00 C ATOM 667 CG HIS A 43 -0.550 7.614 -12.159 1.00 0.00 C ATOM 668 ND1 HIS A 43 -0.662 8.658 -11.251 1.00 0.00 N ATOM 669 CD2 HIS A 43 0.281 8.069 -13.153 1.00 0.00 C ATOM 670 CE1 HIS A 43 0.083 9.679 -11.713 1.00 0.00 C ATOM 671 NE2 HIS A 43 0.677 9.370 -12.866 1.00 0.00 N ATOM 0 H HIS A 43 0.606 5.493 -13.828 1.00 0.00 H new ATOM 0 HA HIS A 43 0.178 5.113 -10.878 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.948 6.122 -12.786 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.848 6.327 -11.048 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.580 7.504 -14.023 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.187 10.630 -11.212 1.00 0.00 H new ATOM 0 HE2 HIS A 43 1.293 9.964 -13.421 1.00 0.00 H new ATOM 679 N HIS A 44 -1.491 3.194 -11.291 1.00 0.00 N ATOM 680 CA HIS A 44 -2.163 1.896 -11.577 1.00 0.00 C ATOM 681 C HIS A 44 -3.645 2.003 -11.215 1.00 0.00 C ATOM 682 O HIS A 44 -4.003 2.528 -10.178 1.00 0.00 O ATOM 683 CB HIS A 44 -1.511 0.790 -10.743 1.00 0.00 C ATOM 684 CG HIS A 44 -1.231 -0.403 -11.614 1.00 0.00 C ATOM 685 ND1 HIS A 44 -2.074 -1.506 -11.654 1.00 0.00 N ATOM 686 CD2 HIS A 44 -0.205 -0.686 -12.483 1.00 0.00 C ATOM 687 CE1 HIS A 44 -1.546 -2.391 -12.519 1.00 0.00 C ATOM 688 NE2 HIS A 44 -0.408 -1.939 -13.050 1.00 0.00 N ATOM 0 H HIS A 44 -1.543 3.505 -10.321 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.063 1.658 -12.636 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.584 1.154 -10.299 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -2.168 0.506 -9.921 1.00 0.00 H new ATOM 0 HD2 HIS A 44 0.631 -0.035 -12.693 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -1.988 -3.348 -12.754 1.00 0.00 H new ATOM 0 HE2 HIS A 44 0.187 -2.413 -13.729 1.00 0.00 H new ATOM 696 N LEU A 45 -4.511 1.513 -12.059 1.00 0.00 N ATOM 697 CA LEU A 45 -5.968 1.592 -11.760 1.00 0.00 C ATOM 698 C LEU A 45 -6.670 0.337 -12.286 1.00 0.00 C ATOM 699 O LEU A 45 -6.291 -0.220 -13.300 1.00 0.00 O ATOM 700 CB LEU A 45 -6.561 2.829 -12.440 1.00 0.00 C ATOM 701 CG LEU A 45 -5.661 4.038 -12.183 1.00 0.00 C ATOM 702 CD1 LEU A 45 -4.464 4.000 -13.137 1.00 0.00 C ATOM 703 CD2 LEU A 45 -6.461 5.323 -12.417 1.00 0.00 C ATOM 0 H LEU A 45 -4.272 1.062 -12.942 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.112 1.663 -10.682 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.657 2.656 -13.512 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.563 3.021 -12.057 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.302 4.012 -11.154 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.824 4.863 -12.952 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.896 3.085 -12.972 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.819 4.026 -14.167 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.823 6.187 -12.235 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.819 5.347 -13.446 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.312 5.351 -11.737 1.00 0.00 H new ATOM 715 N PHE A 46 -7.690 -0.112 -11.606 1.00 0.00 N ATOM 716 CA PHE A 46 -8.413 -1.328 -12.070 1.00 0.00 C ATOM 717 C PHE A 46 -9.903 -1.018 -12.219 1.00 0.00 C ATOM 718 O PHE A 46 -10.407 -0.058 -11.669 1.00 0.00 O ATOM 719 CB PHE A 46 -8.224 -2.458 -11.055 1.00 0.00 C ATOM 720 CG PHE A 46 -7.337 -1.984 -9.929 1.00 0.00 C ATOM 721 CD1 PHE A 46 -6.022 -1.582 -10.194 1.00 0.00 C ATOM 722 CD2 PHE A 46 -7.830 -1.947 -8.619 1.00 0.00 C ATOM 723 CE1 PHE A 46 -5.200 -1.144 -9.148 1.00 0.00 C ATOM 724 CE2 PHE A 46 -7.008 -1.508 -7.574 1.00 0.00 C ATOM 725 CZ PHE A 46 -5.693 -1.107 -7.838 1.00 0.00 C ATOM 0 H PHE A 46 -8.052 0.310 -10.751 1.00 0.00 H new ATOM 0 HA PHE A 46 -8.011 -1.637 -13.035 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -9.191 -2.773 -10.662 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -7.779 -3.326 -11.541 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.642 -1.610 -11.205 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -8.844 -2.257 -8.415 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.186 -0.835 -9.352 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -7.389 -1.479 -6.564 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.059 -0.769 -7.032 1.00 0.00 H new ATOM 735 N ALA A 47 -10.610 -1.823 -12.963 1.00 0.00 N ATOM 736 CA ALA A 47 -12.068 -1.578 -13.150 1.00 0.00 C ATOM 737 C ALA A 47 -12.814 -2.913 -13.160 1.00 0.00 C ATOM 738 O ALA A 47 -12.225 -3.965 -13.009 1.00 0.00 O ATOM 739 CB ALA A 47 -12.297 -0.849 -14.475 1.00 0.00 C ATOM 0 H ALA A 47 -10.241 -2.640 -13.450 1.00 0.00 H new ATOM 0 HA ALA A 47 -12.442 -0.963 -12.331 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.363 -0.670 -14.612 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.768 0.104 -14.462 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -11.924 -1.461 -15.296 1.00 0.00 H new ATOM 745 N GLU A 48 -14.108 -2.881 -13.326 1.00 0.00 N ATOM 746 CA GLU A 48 -14.889 -4.151 -13.333 1.00 0.00 C ATOM 747 C GLU A 48 -15.384 -4.457 -14.749 1.00 0.00 C ATOM 748 O GLU A 48 -15.292 -5.575 -15.218 1.00 0.00 O ATOM 749 CB GLU A 48 -16.091 -4.009 -12.395 1.00 0.00 C ATOM 750 CG GLU A 48 -15.896 -4.907 -11.173 1.00 0.00 C ATOM 751 CD GLU A 48 -16.130 -6.366 -11.568 1.00 0.00 C ATOM 752 OE1 GLU A 48 -15.215 -6.968 -12.107 1.00 0.00 O ATOM 753 OE2 GLU A 48 -17.221 -6.857 -11.326 1.00 0.00 O ATOM 0 H GLU A 48 -14.658 -2.032 -13.457 1.00 0.00 H new ATOM 0 HA GLU A 48 -14.249 -4.966 -12.996 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -16.200 -2.971 -12.082 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -17.007 -4.283 -12.918 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -14.889 -4.784 -10.775 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -16.588 -4.618 -10.382 1.00 0.00 H new ATOM 760 N ASP A 49 -15.918 -3.482 -15.432 1.00 0.00 N ATOM 761 CA ASP A 49 -16.426 -3.734 -16.811 1.00 0.00 C ATOM 762 C ASP A 49 -15.411 -3.238 -17.840 1.00 0.00 C ATOM 763 O ASP A 49 -14.758 -2.231 -17.648 1.00 0.00 O ATOM 764 CB ASP A 49 -17.751 -2.994 -17.009 1.00 0.00 C ATOM 765 CG ASP A 49 -18.506 -3.607 -18.189 1.00 0.00 C ATOM 766 OD1 ASP A 49 -18.263 -3.185 -19.307 1.00 0.00 O ATOM 767 OD2 ASP A 49 -19.316 -4.489 -17.954 1.00 0.00 O ATOM 0 H ASP A 49 -16.025 -2.525 -15.097 1.00 0.00 H new ATOM 0 HA ASP A 49 -16.579 -4.805 -16.945 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -18.355 -3.059 -16.104 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -17.565 -1.936 -17.193 1.00 0.00 H new ATOM 772 N PHE A 50 -15.276 -3.934 -18.936 1.00 0.00 N ATOM 773 CA PHE A 50 -14.307 -3.498 -19.980 1.00 0.00 C ATOM 774 C PHE A 50 -14.757 -2.151 -20.549 1.00 0.00 C ATOM 775 O PHE A 50 -13.953 -1.340 -20.962 1.00 0.00 O ATOM 776 CB PHE A 50 -14.258 -4.538 -21.103 1.00 0.00 C ATOM 777 CG PHE A 50 -15.315 -5.592 -20.868 1.00 0.00 C ATOM 778 CD1 PHE A 50 -15.135 -6.553 -19.866 1.00 0.00 C ATOM 779 CD2 PHE A 50 -16.474 -5.609 -21.654 1.00 0.00 C ATOM 780 CE1 PHE A 50 -16.113 -7.530 -19.649 1.00 0.00 C ATOM 781 CE2 PHE A 50 -17.453 -6.586 -21.436 1.00 0.00 C ATOM 782 CZ PHE A 50 -17.273 -7.547 -20.434 1.00 0.00 C ATOM 0 H PHE A 50 -15.795 -4.785 -19.153 1.00 0.00 H new ATOM 0 HA PHE A 50 -13.315 -3.399 -19.540 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -14.420 -4.055 -22.066 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -13.272 -5.000 -21.141 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -14.241 -6.540 -19.260 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -16.613 -4.869 -22.428 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -15.973 -8.271 -18.876 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -18.347 -6.598 -22.041 1.00 0.00 H new ATOM 0 HZ PHE A 50 -18.028 -8.301 -20.266 1.00 0.00 H new ATOM 792 N ASP A 51 -16.040 -1.905 -20.571 1.00 0.00 N ATOM 793 CA ASP A 51 -16.543 -0.610 -21.109 1.00 0.00 C ATOM 794 C ASP A 51 -16.179 0.515 -20.138 1.00 0.00 C ATOM 795 O ASP A 51 -15.313 1.323 -20.407 1.00 0.00 O ATOM 796 CB ASP A 51 -18.064 -0.678 -21.264 1.00 0.00 C ATOM 797 CG ASP A 51 -18.446 -1.967 -21.994 1.00 0.00 C ATOM 798 OD1 ASP A 51 -17.674 -2.401 -22.833 1.00 0.00 O ATOM 799 OD2 ASP A 51 -19.504 -2.498 -21.702 1.00 0.00 O ATOM 0 H ASP A 51 -16.761 -2.546 -20.239 1.00 0.00 H new ATOM 0 HA ASP A 51 -16.089 -0.416 -22.081 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -18.542 -0.647 -20.285 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -18.422 0.188 -21.821 1.00 0.00 H new ATOM 804 N LYS A 52 -16.831 0.572 -19.009 1.00 0.00 N ATOM 805 CA LYS A 52 -16.517 1.643 -18.021 1.00 0.00 C ATOM 806 C LYS A 52 -15.003 1.856 -17.979 1.00 0.00 C ATOM 807 O LYS A 52 -14.525 2.960 -17.811 1.00 0.00 O ATOM 808 CB LYS A 52 -17.015 1.222 -16.636 1.00 0.00 C ATOM 809 CG LYS A 52 -16.723 2.332 -15.623 1.00 0.00 C ATOM 810 CD LYS A 52 -17.948 3.241 -15.493 1.00 0.00 C ATOM 811 CE LYS A 52 -19.089 2.473 -14.821 1.00 0.00 C ATOM 812 NZ LYS A 52 -20.278 2.466 -15.719 1.00 0.00 N ATOM 0 H LYS A 52 -17.567 -0.076 -18.728 1.00 0.00 H new ATOM 0 HA LYS A 52 -17.010 2.570 -18.313 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -18.086 1.020 -16.670 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -16.526 0.298 -16.328 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.474 1.898 -14.654 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.858 2.913 -15.944 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -17.697 4.125 -14.907 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -18.261 3.589 -16.477 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -18.777 1.451 -14.605 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -19.342 2.937 -13.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -21.054 1.944 -15.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -20.580 3.444 -15.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -20.031 2.005 -16.618 1.00 0.00 H new ATOM 826 N LEU A 53 -14.247 0.804 -18.131 1.00 0.00 N ATOM 827 CA LEU A 53 -12.763 0.938 -18.101 1.00 0.00 C ATOM 828 C LEU A 53 -12.300 1.746 -19.317 1.00 0.00 C ATOM 829 O LEU A 53 -11.600 2.731 -19.188 1.00 0.00 O ATOM 830 CB LEU A 53 -12.129 -0.455 -18.142 1.00 0.00 C ATOM 831 CG LEU A 53 -10.703 -0.387 -17.592 1.00 0.00 C ATOM 832 CD1 LEU A 53 -10.185 -1.804 -17.331 1.00 0.00 C ATOM 833 CD2 LEU A 53 -9.797 0.306 -18.613 1.00 0.00 C ATOM 0 H LEU A 53 -14.593 -0.145 -18.275 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.460 1.451 -17.188 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -12.724 -1.154 -17.553 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -12.117 -0.830 -19.165 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.701 0.177 -16.659 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.169 -1.754 -16.939 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.830 -2.299 -16.605 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.187 -2.369 -18.263 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.780 0.355 -18.223 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.801 -0.259 -19.545 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.164 1.315 -18.799 1.00 0.00 H new ATOM 845 N GLU A 54 -12.686 1.338 -20.495 1.00 0.00 N ATOM 846 CA GLU A 54 -12.268 2.085 -21.716 1.00 0.00 C ATOM 847 C GLU A 54 -12.694 3.549 -21.591 1.00 0.00 C ATOM 848 O GLU A 54 -12.109 4.428 -22.194 1.00 0.00 O ATOM 849 CB GLU A 54 -12.933 1.465 -22.947 1.00 0.00 C ATOM 850 CG GLU A 54 -12.438 2.179 -24.206 1.00 0.00 C ATOM 851 CD GLU A 54 -12.548 1.237 -25.405 1.00 0.00 C ATOM 852 OE1 GLU A 54 -12.119 0.100 -25.283 1.00 0.00 O ATOM 853 OE2 GLU A 54 -13.058 1.666 -26.427 1.00 0.00 O ATOM 0 H GLU A 54 -13.272 0.521 -20.665 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.184 2.029 -21.821 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.700 0.402 -23.003 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -14.017 1.550 -22.870 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.028 3.079 -24.382 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.404 2.497 -24.074 1.00 0.00 H new ATOM 860 N LYS A 55 -13.708 3.821 -20.816 1.00 0.00 N ATOM 861 CA LYS A 55 -14.167 5.229 -20.656 1.00 0.00 C ATOM 862 C LYS A 55 -13.212 5.970 -19.719 1.00 0.00 C ATOM 863 O LYS A 55 -12.522 6.886 -20.119 1.00 0.00 O ATOM 864 CB LYS A 55 -15.578 5.241 -20.065 1.00 0.00 C ATOM 865 CG LYS A 55 -16.524 4.478 -20.993 1.00 0.00 C ATOM 866 CD LYS A 55 -16.536 5.145 -22.370 1.00 0.00 C ATOM 867 CE LYS A 55 -17.939 5.050 -22.972 1.00 0.00 C ATOM 868 NZ LYS A 55 -17.997 5.848 -24.229 1.00 0.00 N ATOM 0 H LYS A 55 -14.238 3.129 -20.287 1.00 0.00 H new ATOM 0 HA LYS A 55 -14.178 5.723 -21.628 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -15.574 4.783 -19.076 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -15.923 6.267 -19.940 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -16.204 3.440 -21.083 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -17.530 4.466 -20.574 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -16.237 6.189 -22.282 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -15.814 4.660 -23.027 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -18.188 4.009 -23.178 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -18.677 5.419 -22.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -18.951 5.783 -24.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -17.777 6.843 -24.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -17.303 5.476 -24.909 1.00 0.00 H new ATOM 882 N ALA A 56 -13.162 5.580 -18.475 1.00 0.00 N ATOM 883 CA ALA A 56 -12.246 6.264 -17.520 1.00 0.00 C ATOM 884 C ALA A 56 -10.855 6.365 -18.148 1.00 0.00 C ATOM 885 O ALA A 56 -10.189 7.377 -18.048 1.00 0.00 O ATOM 886 CB ALA A 56 -12.165 5.457 -16.222 1.00 0.00 C ATOM 0 H ALA A 56 -13.714 4.819 -18.080 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.623 7.263 -17.299 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.495 5.958 -15.523 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.158 5.379 -15.779 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.785 4.459 -16.437 1.00 0.00 H new ATOM 892 N ALA A 57 -10.414 5.325 -18.803 1.00 0.00 N ATOM 893 CA ALA A 57 -9.070 5.364 -19.443 1.00 0.00 C ATOM 894 C ALA A 57 -9.073 6.414 -20.556 1.00 0.00 C ATOM 895 O ALA A 57 -8.197 7.250 -20.636 1.00 0.00 O ATOM 896 CB ALA A 57 -8.744 3.991 -20.037 1.00 0.00 C ATOM 0 H ALA A 57 -10.927 4.451 -18.922 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.318 5.621 -18.697 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.760 4.021 -20.505 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.746 3.242 -19.245 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -9.493 3.731 -20.784 1.00 0.00 H new ATOM 902 N VAL A 58 -10.057 6.378 -21.414 1.00 0.00 N ATOM 903 CA VAL A 58 -10.118 7.377 -22.518 1.00 0.00 C ATOM 904 C VAL A 58 -9.960 8.783 -21.934 1.00 0.00 C ATOM 905 O VAL A 58 -9.109 9.546 -22.349 1.00 0.00 O ATOM 906 CB VAL A 58 -11.466 7.268 -23.233 1.00 0.00 C ATOM 907 CG1 VAL A 58 -11.719 8.540 -24.045 1.00 0.00 C ATOM 908 CG2 VAL A 58 -11.445 6.061 -24.174 1.00 0.00 C ATOM 0 H VAL A 58 -10.820 5.701 -21.398 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.316 7.185 -23.231 1.00 0.00 H new ATOM 0 HB VAL A 58 -12.259 7.144 -22.496 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.680 8.462 -24.554 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.731 9.401 -23.377 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -10.926 8.664 -24.783 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -12.405 5.981 -24.685 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.651 6.188 -24.910 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -11.264 5.154 -23.598 1.00 0.00 H new ATOM 918 N GLU A 59 -10.769 9.131 -20.970 1.00 0.00 N ATOM 919 CA GLU A 59 -10.659 10.485 -20.358 1.00 0.00 C ATOM 920 C GLU A 59 -9.207 10.737 -19.945 1.00 0.00 C ATOM 921 O GLU A 59 -8.672 11.810 -20.141 1.00 0.00 O ATOM 922 CB GLU A 59 -11.561 10.560 -19.124 1.00 0.00 C ATOM 923 CG GLU A 59 -12.827 11.348 -19.464 1.00 0.00 C ATOM 924 CD GLU A 59 -12.463 12.807 -19.749 1.00 0.00 C ATOM 925 OE1 GLU A 59 -12.373 13.570 -18.802 1.00 0.00 O ATOM 926 OE2 GLU A 59 -12.280 13.134 -20.910 1.00 0.00 O ATOM 0 H GLU A 59 -11.501 8.536 -20.581 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.969 11.240 -21.081 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.823 9.556 -18.791 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.031 11.040 -18.302 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.318 10.909 -20.332 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.534 11.294 -18.636 1.00 0.00 H new ATOM 933 N ALA A 60 -8.565 9.751 -19.378 1.00 0.00 N ATOM 934 CA ALA A 60 -7.147 9.929 -18.956 1.00 0.00 C ATOM 935 C ALA A 60 -6.319 10.402 -20.152 1.00 0.00 C ATOM 936 O ALA A 60 -5.698 11.445 -20.116 1.00 0.00 O ATOM 937 CB ALA A 60 -6.596 8.596 -18.444 1.00 0.00 C ATOM 0 H ALA A 60 -8.962 8.830 -19.189 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.092 10.671 -18.160 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.559 8.726 -18.135 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.189 8.260 -17.593 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.648 7.852 -19.239 1.00 0.00 H new ATOM 943 N PHE A 61 -6.306 9.643 -21.212 1.00 0.00 N ATOM 944 CA PHE A 61 -5.520 10.051 -22.410 1.00 0.00 C ATOM 945 C PHE A 61 -5.819 11.515 -22.741 1.00 0.00 C ATOM 946 O PHE A 61 -4.941 12.353 -22.747 1.00 0.00 O ATOM 947 CB PHE A 61 -5.908 9.169 -23.599 1.00 0.00 C ATOM 948 CG PHE A 61 -5.147 9.615 -24.825 1.00 0.00 C ATOM 949 CD1 PHE A 61 -5.527 10.782 -25.499 1.00 0.00 C ATOM 950 CD2 PHE A 61 -4.061 8.862 -25.288 1.00 0.00 C ATOM 951 CE1 PHE A 61 -4.823 11.196 -26.635 1.00 0.00 C ATOM 952 CE2 PHE A 61 -3.356 9.277 -26.423 1.00 0.00 C ATOM 953 CZ PHE A 61 -3.736 10.443 -27.097 1.00 0.00 C ATOM 0 H PHE A 61 -6.805 8.758 -21.301 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.456 9.935 -22.204 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.685 8.125 -23.379 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.981 9.235 -23.780 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.364 11.363 -25.142 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.768 7.961 -24.769 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.117 12.095 -27.155 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.518 8.697 -26.779 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.191 10.762 -27.973 1.00 0.00 H new ATOM 963 N LYS A 62 -7.056 11.827 -23.017 1.00 0.00 N ATOM 964 CA LYS A 62 -7.415 13.235 -23.348 1.00 0.00 C ATOM 965 C LYS A 62 -6.806 14.179 -22.308 1.00 0.00 C ATOM 966 O LYS A 62 -6.283 15.225 -22.637 1.00 0.00 O ATOM 967 CB LYS A 62 -8.938 13.386 -23.347 1.00 0.00 C ATOM 968 CG LYS A 62 -9.541 12.497 -24.437 1.00 0.00 C ATOM 969 CD LYS A 62 -10.526 13.315 -25.275 1.00 0.00 C ATOM 970 CE LYS A 62 -9.752 14.181 -26.270 1.00 0.00 C ATOM 971 NZ LYS A 62 -9.761 13.529 -27.609 1.00 0.00 N ATOM 0 H LYS A 62 -7.834 11.167 -23.028 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.025 13.486 -24.335 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.341 13.109 -22.373 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.211 14.427 -23.520 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.751 12.096 -25.073 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.050 11.645 -23.986 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.207 12.650 -25.807 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.136 13.944 -24.627 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.202 15.172 -26.333 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.726 14.318 -25.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.235 14.118 -28.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.312 12.593 -27.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.742 13.420 -27.935 1.00 0.00 H new ATOM 985 N MET A 63 -6.870 13.820 -21.054 1.00 0.00 N ATOM 986 CA MET A 63 -6.293 14.702 -19.998 1.00 0.00 C ATOM 987 C MET A 63 -4.774 14.771 -20.163 1.00 0.00 C ATOM 988 O MET A 63 -4.138 15.722 -19.754 1.00 0.00 O ATOM 989 CB MET A 63 -6.628 14.133 -18.614 1.00 0.00 C ATOM 990 CG MET A 63 -7.961 14.707 -18.122 1.00 0.00 C ATOM 991 SD MET A 63 -8.080 14.494 -16.328 1.00 0.00 S ATOM 992 CE MET A 63 -8.047 12.685 -16.307 1.00 0.00 C ATOM 0 H MET A 63 -7.295 12.957 -20.716 1.00 0.00 H new ATOM 0 HA MET A 63 -6.716 15.702 -20.093 1.00 0.00 H new ATOM 0 HB2 MET A 63 -6.686 13.046 -18.663 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.834 14.378 -17.909 1.00 0.00 H new ATOM 0 HG2 MET A 63 -8.032 15.764 -18.380 1.00 0.00 H new ATOM 0 HG3 MET A 63 -8.792 14.202 -18.615 1.00 0.00 H new ATOM 0 HE1 MET A 63 -8.374 12.326 -15.331 1.00 0.00 H new ATOM 0 HE2 MET A 63 -8.715 12.300 -17.077 1.00 0.00 H new ATOM 0 HE3 MET A 63 -7.032 12.337 -16.500 1.00 0.00 H new ATOM 1002 N GLY A 64 -4.187 13.771 -20.761 1.00 0.00 N ATOM 1003 CA GLY A 64 -2.708 13.783 -20.953 1.00 0.00 C ATOM 1004 C GLY A 64 -2.073 12.671 -20.118 1.00 0.00 C ATOM 1005 O GLY A 64 -1.157 12.900 -19.352 1.00 0.00 O ATOM 0 H GLY A 64 -4.666 12.947 -21.125 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.467 13.643 -22.007 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.301 14.750 -20.659 1.00 0.00 H new ATOM 1009 N PHE A 65 -2.551 11.466 -20.260 1.00 0.00 N ATOM 1010 CA PHE A 65 -1.975 10.337 -19.476 1.00 0.00 C ATOM 1011 C PHE A 65 -1.714 9.155 -20.411 1.00 0.00 C ATOM 1012 O PHE A 65 -2.621 8.615 -21.011 1.00 0.00 O ATOM 1013 CB PHE A 65 -2.965 9.917 -18.388 1.00 0.00 C ATOM 1014 CG PHE A 65 -2.790 10.800 -17.177 1.00 0.00 C ATOM 1015 CD1 PHE A 65 -1.653 10.666 -16.372 1.00 0.00 C ATOM 1016 CD2 PHE A 65 -3.765 11.752 -16.858 1.00 0.00 C ATOM 1017 CE1 PHE A 65 -1.491 11.484 -15.247 1.00 0.00 C ATOM 1018 CE2 PHE A 65 -3.603 12.571 -15.734 1.00 0.00 C ATOM 1019 CZ PHE A 65 -2.466 12.437 -14.929 1.00 0.00 C ATOM 0 H PHE A 65 -3.316 11.214 -20.885 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.039 10.651 -19.014 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.986 9.993 -18.762 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.802 8.874 -18.117 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.900 9.932 -16.618 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.643 11.855 -17.479 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.614 11.380 -14.625 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.355 13.306 -15.488 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.341 13.069 -14.062 1.00 0.00 H new ATOM 1029 N GLU A 66 -0.481 8.745 -20.539 1.00 0.00 N ATOM 1030 CA GLU A 66 -0.172 7.597 -21.433 1.00 0.00 C ATOM 1031 C GLU A 66 -0.840 6.336 -20.884 1.00 0.00 C ATOM 1032 O GLU A 66 -0.256 5.596 -20.117 1.00 0.00 O ATOM 1033 CB GLU A 66 1.342 7.393 -21.497 1.00 0.00 C ATOM 1034 CG GLU A 66 1.650 6.063 -22.187 1.00 0.00 C ATOM 1035 CD GLU A 66 2.703 6.284 -23.275 1.00 0.00 C ATOM 1036 OE1 GLU A 66 2.454 7.088 -24.157 1.00 0.00 O ATOM 1037 OE2 GLU A 66 3.741 5.646 -23.205 1.00 0.00 O ATOM 0 H GLU A 66 0.323 9.155 -20.064 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.549 7.800 -22.435 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.807 8.214 -22.043 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.763 7.399 -20.492 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.012 5.338 -21.458 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.741 5.649 -22.624 1.00 0.00 H new ATOM 1044 N VAL A 67 -2.065 6.091 -21.264 1.00 0.00 N ATOM 1045 CA VAL A 67 -2.779 4.884 -20.761 1.00 0.00 C ATOM 1046 C VAL A 67 -2.164 3.626 -21.377 1.00 0.00 C ATOM 1047 O VAL A 67 -1.729 3.625 -22.512 1.00 0.00 O ATOM 1048 CB VAL A 67 -4.255 4.972 -21.148 1.00 0.00 C ATOM 1049 CG1 VAL A 67 -4.384 5.031 -22.672 1.00 0.00 C ATOM 1050 CG2 VAL A 67 -4.993 3.738 -20.623 1.00 0.00 C ATOM 0 H VAL A 67 -2.603 6.677 -21.903 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.687 4.834 -19.676 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.690 5.871 -20.713 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.437 5.094 -22.946 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.858 5.909 -23.048 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.948 4.133 -23.109 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.046 3.799 -20.898 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.556 2.840 -21.059 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.904 3.695 -19.538 1.00 0.00 H new ATOM 1060 N LEU A 68 -2.128 2.551 -20.638 1.00 0.00 N ATOM 1061 CA LEU A 68 -1.546 1.292 -21.179 1.00 0.00 C ATOM 1062 C LEU A 68 -2.571 0.164 -21.048 1.00 0.00 C ATOM 1063 O LEU A 68 -3.259 0.048 -20.053 1.00 0.00 O ATOM 1064 CB LEU A 68 -0.285 0.931 -20.388 1.00 0.00 C ATOM 1065 CG LEU A 68 0.949 1.105 -21.277 1.00 0.00 C ATOM 1066 CD1 LEU A 68 0.974 0.006 -22.341 1.00 0.00 C ATOM 1067 CD2 LEU A 68 0.900 2.478 -21.955 1.00 0.00 C ATOM 0 H LEU A 68 -2.477 2.491 -19.682 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.288 1.431 -22.229 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.203 1.567 -19.506 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.348 -0.098 -20.034 1.00 0.00 H new ATOM 0 HG LEU A 68 1.849 1.035 -20.666 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.853 0.131 -22.973 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.012 -0.969 -21.856 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.075 0.072 -22.953 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.778 2.603 -22.588 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.000 2.551 -22.565 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.887 3.259 -21.195 1.00 0.00 H new ATOM 1079 N GLU A 69 -2.682 -0.668 -22.047 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.665 -1.785 -21.979 1.00 0.00 C ATOM 1081 C GLU A 69 -3.565 -2.476 -20.618 1.00 0.00 C ATOM 1082 O GLU A 69 -2.610 -2.297 -19.887 1.00 0.00 O ATOM 1083 CB GLU A 69 -3.366 -2.797 -23.088 1.00 0.00 C ATOM 1084 CG GLU A 69 -3.808 -2.226 -24.437 1.00 0.00 C ATOM 1085 CD GLU A 69 -5.321 -2.395 -24.595 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -6.048 -1.584 -24.045 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -5.726 -3.333 -25.262 1.00 0.00 O ATOM 0 H GLU A 69 -2.135 -0.622 -22.907 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.672 -1.388 -22.110 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.300 -3.024 -23.109 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.887 -3.734 -22.890 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.541 -1.171 -24.502 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.288 -2.737 -25.247 1.00 0.00 H new ATOM 1094 N ALA A 70 -4.546 -3.265 -20.269 1.00 0.00 N ATOM 1095 CA ALA A 70 -4.508 -3.967 -18.956 1.00 0.00 C ATOM 1096 C ALA A 70 -4.241 -5.456 -19.181 1.00 0.00 C ATOM 1097 O ALA A 70 -4.095 -5.908 -20.299 1.00 0.00 O ATOM 1098 CB ALA A 70 -5.852 -3.794 -18.245 1.00 0.00 C ATOM 0 H ALA A 70 -5.372 -3.453 -20.838 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.714 -3.543 -18.342 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.824 -4.308 -17.284 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.044 -2.733 -18.084 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.646 -4.218 -18.860 1.00 0.00 H new ATOM 1104 N GLU A 71 -4.176 -6.222 -18.127 1.00 0.00 N ATOM 1105 CA GLU A 71 -3.920 -7.683 -18.281 1.00 0.00 C ATOM 1106 C GLU A 71 -4.630 -8.444 -17.160 1.00 0.00 C ATOM 1107 O GLU A 71 -4.352 -8.249 -15.993 1.00 0.00 O ATOM 1108 CB GLU A 71 -2.415 -7.949 -18.206 1.00 0.00 C ATOM 1109 CG GLU A 71 -1.867 -7.423 -16.876 1.00 0.00 C ATOM 1110 CD GLU A 71 -0.613 -6.585 -17.135 1.00 0.00 C ATOM 1111 OE1 GLU A 71 0.044 -6.829 -18.133 1.00 0.00 O ATOM 1112 OE2 GLU A 71 -0.332 -5.713 -16.330 1.00 0.00 O ATOM 0 H GLU A 71 -4.289 -5.900 -17.166 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.299 -8.019 -19.246 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.219 -9.018 -18.295 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.907 -7.462 -19.038 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.623 -6.820 -16.373 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.630 -8.256 -16.214 1.00 0.00 H new ATOM 1119 N GLU A 72 -5.545 -9.310 -17.501 1.00 0.00 N ATOM 1120 CA GLU A 72 -6.269 -10.079 -16.451 1.00 0.00 C ATOM 1121 C GLU A 72 -5.278 -10.524 -15.372 1.00 0.00 C ATOM 1122 O GLU A 72 -4.363 -11.280 -15.630 1.00 0.00 O ATOM 1123 CB GLU A 72 -6.929 -11.309 -17.078 1.00 0.00 C ATOM 1124 CG GLU A 72 -6.482 -11.444 -18.536 1.00 0.00 C ATOM 1125 CD GLU A 72 -7.060 -12.732 -19.129 1.00 0.00 C ATOM 1126 OE1 GLU A 72 -8.086 -13.177 -18.642 1.00 0.00 O ATOM 1127 OE2 GLU A 72 -6.466 -13.250 -20.061 1.00 0.00 O ATOM 0 H GLU A 72 -5.822 -9.518 -18.460 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.036 -9.447 -16.003 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.657 -12.205 -16.519 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.014 -11.218 -17.027 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.819 -10.582 -19.112 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.394 -11.460 -18.594 1.00 0.00 H new ATOM 1134 N THR A 73 -5.456 -10.061 -14.166 1.00 0.00 N ATOM 1135 CA THR A 73 -4.525 -10.458 -13.072 1.00 0.00 C ATOM 1136 C THR A 73 -5.298 -11.243 -12.010 1.00 0.00 C ATOM 1137 O THR A 73 -6.273 -11.906 -12.302 1.00 0.00 O ATOM 1138 CB THR A 73 -3.915 -9.205 -12.440 1.00 0.00 C ATOM 1139 OG1 THR A 73 -2.911 -9.587 -11.509 1.00 0.00 O ATOM 1140 CG2 THR A 73 -5.006 -8.412 -11.719 1.00 0.00 C ATOM 0 H THR A 73 -6.205 -9.426 -13.890 1.00 0.00 H new ATOM 0 HA THR A 73 -3.728 -11.081 -13.478 1.00 0.00 H new ATOM 0 HB THR A 73 -3.472 -8.584 -13.219 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.518 -8.786 -11.104 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.570 -7.520 -11.269 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.776 -8.119 -12.433 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.451 -9.031 -10.940 1.00 0.00 H new ATOM 1223 N LYS A 80 -10.600 -12.445 -11.155 1.00 0.00 N ATOM 1224 CA LYS A 80 -9.946 -12.027 -12.428 1.00 0.00 C ATOM 1225 C LYS A 80 -10.510 -10.675 -12.869 1.00 0.00 C ATOM 1226 O LYS A 80 -11.650 -10.571 -13.275 1.00 0.00 O ATOM 1227 CB LYS A 80 -10.220 -13.074 -13.511 1.00 0.00 C ATOM 1228 CG LYS A 80 -11.718 -13.388 -13.556 1.00 0.00 C ATOM 1229 CD LYS A 80 -12.282 -12.998 -14.924 1.00 0.00 C ATOM 1230 CE LYS A 80 -13.811 -13.025 -14.878 1.00 0.00 C ATOM 1231 NZ LYS A 80 -14.344 -11.692 -15.274 1.00 0.00 N ATOM 0 HA LYS A 80 -8.871 -11.939 -12.273 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.887 -12.704 -14.481 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.654 -13.982 -13.304 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.883 -14.450 -13.372 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.238 -12.843 -12.768 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.934 -12.003 -15.201 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.919 -13.686 -15.687 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.192 -13.795 -15.549 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.151 -13.281 -13.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.383 -11.710 -15.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.991 -10.968 -14.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.031 -11.466 -16.240 1.00 0.00 H new ATOM 1245 N LEU A 81 -9.720 -9.639 -12.796 1.00 0.00 N ATOM 1246 CA LEU A 81 -10.211 -8.294 -13.213 1.00 0.00 C ATOM 1247 C LEU A 81 -9.212 -7.664 -14.185 1.00 0.00 C ATOM 1248 O LEU A 81 -8.109 -8.145 -14.356 1.00 0.00 O ATOM 1249 CB LEU A 81 -10.357 -7.400 -11.981 1.00 0.00 C ATOM 1250 CG LEU A 81 -9.010 -7.297 -11.261 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -8.646 -5.823 -11.063 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -9.107 -7.984 -9.897 1.00 0.00 C ATOM 0 H LEU A 81 -8.755 -9.665 -12.466 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.179 -8.397 -13.704 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.700 -6.408 -12.277 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.110 -7.810 -11.308 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.241 -7.784 -11.861 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.687 -5.751 -10.550 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.577 -5.332 -12.034 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.415 -5.336 -10.464 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.148 -7.911 -9.384 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.877 -7.497 -9.298 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.365 -9.034 -10.036 1.00 0.00 H new ATOM 1264 N LEU A 82 -9.587 -6.589 -14.824 1.00 0.00 N ATOM 1265 CA LEU A 82 -8.657 -5.932 -15.784 1.00 0.00 C ATOM 1266 C LEU A 82 -7.962 -4.752 -15.099 1.00 0.00 C ATOM 1267 O LEU A 82 -8.595 -3.926 -14.467 1.00 0.00 O ATOM 1268 CB LEU A 82 -9.445 -5.427 -16.995 1.00 0.00 C ATOM 1269 CG LEU A 82 -10.157 -6.603 -17.667 1.00 0.00 C ATOM 1270 CD1 LEU A 82 -11.346 -7.042 -16.809 1.00 0.00 C ATOM 1271 CD2 LEU A 82 -10.656 -6.173 -19.048 1.00 0.00 C ATOM 0 H LEU A 82 -10.496 -6.138 -14.722 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.908 -6.653 -16.113 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -10.173 -4.678 -16.682 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.773 -4.942 -17.703 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.461 -7.435 -17.773 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.852 -7.880 -17.289 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.991 -7.348 -15.825 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -12.043 -6.211 -16.701 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.164 -7.010 -19.528 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -11.351 -5.340 -18.941 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.809 -5.862 -19.660 1.00 0.00 H new ATOM 1283 N CYS A 83 -6.665 -4.668 -15.220 1.00 0.00 N ATOM 1284 CA CYS A 83 -5.926 -3.544 -14.579 1.00 0.00 C ATOM 1285 C CYS A 83 -5.107 -2.803 -15.636 1.00 0.00 C ATOM 1286 O CYS A 83 -4.171 -3.339 -16.196 1.00 0.00 O ATOM 1287 CB CYS A 83 -4.992 -4.096 -13.500 1.00 0.00 C ATOM 1288 SG CYS A 83 -4.224 -5.625 -14.091 1.00 0.00 S ATOM 0 H CYS A 83 -6.085 -5.330 -15.736 1.00 0.00 H new ATOM 0 HA CYS A 83 -6.637 -2.855 -14.124 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -4.224 -3.361 -13.258 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -5.550 -4.288 -12.584 1.00 0.00 H new ATOM 0 HG CYS A 83 -3.429 -6.093 -13.175 1.00 0.00 H new ATOM 1294 N PHE A 84 -5.445 -1.571 -15.911 1.00 0.00 N ATOM 1295 CA PHE A 84 -4.678 -0.801 -16.931 1.00 0.00 C ATOM 1296 C PHE A 84 -3.696 0.133 -16.223 1.00 0.00 C ATOM 1297 O PHE A 84 -3.826 0.410 -15.047 1.00 0.00 O ATOM 1298 CB PHE A 84 -5.640 0.022 -17.793 1.00 0.00 C ATOM 1299 CG PHE A 84 -6.560 0.828 -16.909 1.00 0.00 C ATOM 1300 CD1 PHE A 84 -7.568 0.188 -16.177 1.00 0.00 C ATOM 1301 CD2 PHE A 84 -6.410 2.217 -16.828 1.00 0.00 C ATOM 1302 CE1 PHE A 84 -8.425 0.938 -15.362 1.00 0.00 C ATOM 1303 CE2 PHE A 84 -7.267 2.968 -16.012 1.00 0.00 C ATOM 1304 CZ PHE A 84 -8.275 2.328 -15.281 1.00 0.00 C ATOM 0 H PHE A 84 -6.217 -1.067 -15.474 1.00 0.00 H new ATOM 0 HA PHE A 84 -4.130 -1.493 -17.571 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.077 0.686 -18.449 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.224 -0.639 -18.434 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -7.684 -0.884 -16.241 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.634 2.710 -17.394 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -9.201 0.445 -14.796 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.150 4.040 -15.947 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.937 2.907 -14.654 1.00 0.00 H new ATOM 1314 N ASP A 85 -2.705 0.614 -16.925 1.00 0.00 N ATOM 1315 CA ASP A 85 -1.715 1.521 -16.280 1.00 0.00 C ATOM 1316 C ASP A 85 -1.664 2.855 -17.028 1.00 0.00 C ATOM 1317 O ASP A 85 -2.152 2.978 -18.133 1.00 0.00 O ATOM 1318 CB ASP A 85 -0.331 0.869 -16.312 1.00 0.00 C ATOM 1319 CG ASP A 85 -0.486 -0.654 -16.326 1.00 0.00 C ATOM 1320 OD1 ASP A 85 -0.870 -1.200 -15.304 1.00 0.00 O ATOM 1321 OD2 ASP A 85 -0.217 -1.248 -17.357 1.00 0.00 O ATOM 0 H ASP A 85 -2.539 0.419 -17.912 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.014 1.700 -15.247 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.218 1.198 -17.195 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.249 1.178 -15.443 1.00 0.00 H new ATOM 1326 N ALA A 86 -1.071 3.853 -16.432 1.00 0.00 N ATOM 1327 CA ALA A 86 -0.979 5.180 -17.102 1.00 0.00 C ATOM 1328 C ALA A 86 0.405 5.775 -16.842 1.00 0.00 C ATOM 1329 O ALA A 86 1.100 5.374 -15.928 1.00 0.00 O ATOM 1330 CB ALA A 86 -2.052 6.113 -16.541 1.00 0.00 C ATOM 0 H ALA A 86 -0.645 3.806 -15.506 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.133 5.062 -18.175 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.983 7.084 -17.032 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.038 5.684 -16.721 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.901 6.238 -15.469 1.00 0.00 H new ATOM 1336 N THR A 87 0.819 6.724 -17.635 1.00 0.00 N ATOM 1337 CA THR A 87 2.165 7.328 -17.421 1.00 0.00 C ATOM 1338 C THR A 87 2.099 8.844 -17.620 1.00 0.00 C ATOM 1339 O THR A 87 1.304 9.349 -18.389 1.00 0.00 O ATOM 1340 CB THR A 87 3.155 6.721 -18.419 1.00 0.00 C ATOM 1341 OG1 THR A 87 2.489 5.748 -19.210 1.00 0.00 O ATOM 1342 CG2 THR A 87 4.307 6.063 -17.660 1.00 0.00 C ATOM 0 H THR A 87 0.288 7.106 -18.417 1.00 0.00 H new ATOM 0 HA THR A 87 2.494 7.120 -16.403 1.00 0.00 H new ATOM 0 HB THR A 87 3.550 7.506 -19.064 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.149 5.146 -19.613 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.011 5.631 -18.371 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.817 6.811 -17.053 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.915 5.277 -17.014 1.00 0.00 H new ATOM 1350 N MET A 88 2.937 9.572 -16.931 1.00 0.00 N ATOM 1351 CA MET A 88 2.939 11.056 -17.072 1.00 0.00 C ATOM 1352 C MET A 88 4.311 11.595 -16.657 1.00 0.00 C ATOM 1353 O MET A 88 4.816 11.279 -15.598 1.00 0.00 O ATOM 1354 CB MET A 88 1.860 11.660 -16.171 1.00 0.00 C ATOM 1355 CG MET A 88 1.615 13.116 -16.572 1.00 0.00 C ATOM 1356 SD MET A 88 0.393 13.853 -15.459 1.00 0.00 S ATOM 1357 CE MET A 88 -0.931 14.051 -16.676 1.00 0.00 C ATOM 0 H MET A 88 3.623 9.200 -16.274 1.00 0.00 H new ATOM 0 HA MET A 88 2.734 11.326 -18.108 1.00 0.00 H new ATOM 0 HB2 MET A 88 0.936 11.088 -16.258 1.00 0.00 H new ATOM 0 HB3 MET A 88 2.171 11.607 -15.128 1.00 0.00 H new ATOM 0 HG2 MET A 88 2.548 13.678 -16.528 1.00 0.00 H new ATOM 0 HG3 MET A 88 1.261 13.166 -17.602 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.789 14.531 -16.205 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.577 14.669 -17.501 1.00 0.00 H new ATOM 0 HE3 MET A 88 -1.226 13.073 -17.056 1.00 0.00 H new ATOM 1367 N GLN A 89 4.921 12.400 -17.483 1.00 0.00 N ATOM 1368 CA GLN A 89 6.261 12.951 -17.133 1.00 0.00 C ATOM 1369 C GLN A 89 6.106 14.346 -16.523 1.00 0.00 C ATOM 1370 O GLN A 89 5.270 15.126 -16.934 1.00 0.00 O ATOM 1371 CB GLN A 89 7.119 13.040 -18.397 1.00 0.00 C ATOM 1372 CG GLN A 89 6.815 11.847 -19.306 1.00 0.00 C ATOM 1373 CD GLN A 89 8.045 11.524 -20.155 1.00 0.00 C ATOM 1374 OE1 GLN A 89 8.643 10.374 -20.005 1.00 0.00 O flip ATOM 1375 NE2 GLN A 89 8.467 12.327 -20.964 1.00 0.00 N flip ATOM 0 H GLN A 89 4.550 12.700 -18.385 1.00 0.00 H new ATOM 0 HA GLN A 89 6.742 12.294 -16.408 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.915 13.973 -18.923 1.00 0.00 H new ATOM 0 HB3 GLN A 89 8.176 13.048 -18.132 1.00 0.00 H new ATOM 0 HG2 GLN A 89 6.537 10.981 -18.706 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.965 12.074 -19.950 1.00 0.00 H new ATOM 0 HE21 GLN A 89 8.000 13.226 -21.082 1.00 0.00 H new ATOM 0 HE22 GLN A 89 9.288 12.102 -21.525 1.00 0.00 H new ATOM 1384 N SER A 90 6.911 14.665 -15.546 1.00 0.00 N ATOM 1385 CA SER A 90 6.820 16.010 -14.909 1.00 0.00 C ATOM 1386 C SER A 90 7.977 16.182 -13.923 1.00 0.00 C ATOM 1387 O SER A 90 8.829 15.325 -13.795 1.00 0.00 O ATOM 1388 CB SER A 90 5.490 16.135 -14.163 1.00 0.00 C ATOM 1389 OG SER A 90 5.533 15.336 -12.988 1.00 0.00 O ATOM 0 H SER A 90 7.629 14.051 -15.161 1.00 0.00 H new ATOM 0 HA SER A 90 6.877 16.781 -15.677 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.303 17.177 -13.902 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.669 15.815 -14.804 1.00 0.00 H new ATOM 0 HG SER A 90 4.683 15.415 -12.507 1.00 0.00 H new ATOM 1395 N ALA A 91 8.017 17.284 -13.227 1.00 0.00 N ATOM 1396 CA ALA A 91 9.121 17.509 -12.251 1.00 0.00 C ATOM 1397 C ALA A 91 8.808 16.779 -10.943 1.00 0.00 C ATOM 1398 O ALA A 91 7.909 17.148 -10.215 1.00 0.00 O ATOM 1399 CB ALA A 91 9.259 19.008 -11.977 1.00 0.00 C ATOM 0 H ALA A 91 7.334 18.038 -13.291 1.00 0.00 H new ATOM 0 HA ALA A 91 10.054 17.125 -12.665 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.066 19.175 -11.263 1.00 0.00 H new ATOM 0 HB2 ALA A 91 9.484 19.529 -12.908 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.325 19.390 -11.564 1.00 0.00 H new ATOM 1405 N LEU A 92 9.544 15.744 -10.640 1.00 0.00 N ATOM 1406 CA LEU A 92 9.290 14.992 -9.379 1.00 0.00 C ATOM 1407 C LEU A 92 9.024 15.981 -8.242 1.00 0.00 C ATOM 1408 O LEU A 92 9.938 16.498 -7.632 1.00 0.00 O ATOM 1409 CB LEU A 92 10.515 14.141 -9.036 1.00 0.00 C ATOM 1410 CG LEU A 92 10.172 13.192 -7.883 1.00 0.00 C ATOM 1411 CD1 LEU A 92 9.373 11.993 -8.407 1.00 0.00 C ATOM 1412 CD2 LEU A 92 11.466 12.696 -7.234 1.00 0.00 C ATOM 0 H LEU A 92 10.310 15.387 -11.211 1.00 0.00 H new ATOM 0 HA LEU A 92 8.423 14.345 -9.510 1.00 0.00 H new ATOM 0 HB2 LEU A 92 10.830 13.570 -9.909 1.00 0.00 H new ATOM 0 HB3 LEU A 92 11.350 14.783 -8.756 1.00 0.00 H new ATOM 0 HG LEU A 92 9.570 13.726 -7.148 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.135 11.325 -7.579 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.450 12.344 -8.867 1.00 0.00 H new ATOM 0 HD13 LEU A 92 9.966 11.456 -9.147 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.226 12.020 -6.413 1.00 0.00 H new ATOM 0 HD22 LEU A 92 12.065 12.167 -7.975 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.030 13.546 -6.851 1.00 0.00 H new ATOM 1424 N ASP A 93 7.780 16.249 -7.953 1.00 0.00 N ATOM 1425 CA ASP A 93 7.461 17.205 -6.857 1.00 0.00 C ATOM 1426 C ASP A 93 6.202 16.741 -6.122 1.00 0.00 C ATOM 1427 O ASP A 93 5.244 16.305 -6.728 1.00 0.00 O ATOM 1428 CB ASP A 93 7.225 18.597 -7.446 1.00 0.00 C ATOM 1429 CG ASP A 93 8.483 19.450 -7.264 1.00 0.00 C ATOM 1430 OD1 ASP A 93 9.560 18.944 -7.527 1.00 0.00 O ATOM 1431 OD2 ASP A 93 8.345 20.593 -6.863 1.00 0.00 O ATOM 0 H ASP A 93 6.972 15.847 -8.428 1.00 0.00 H new ATOM 0 HA ASP A 93 8.295 17.244 -6.156 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.977 18.518 -8.504 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.376 19.072 -6.954 1.00 0.00 H new ATOM 1436 N ALA A 94 6.196 16.830 -4.820 1.00 0.00 N ATOM 1437 CA ALA A 94 5.000 16.394 -4.048 1.00 0.00 C ATOM 1438 C ALA A 94 3.779 17.209 -4.484 1.00 0.00 C ATOM 1439 O ALA A 94 2.711 16.674 -4.703 1.00 0.00 O ATOM 1440 CB ALA A 94 5.251 16.612 -2.555 1.00 0.00 C ATOM 0 H ALA A 94 6.969 17.186 -4.258 1.00 0.00 H new ATOM 0 HA ALA A 94 4.814 15.337 -4.237 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.376 16.293 -1.989 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.118 16.029 -2.243 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.439 17.669 -2.368 1.00 0.00 H new ATOM 1446 N LYS A 95 3.926 18.499 -4.610 1.00 0.00 N ATOM 1447 CA LYS A 95 2.771 19.343 -5.030 1.00 0.00 C ATOM 1448 C LYS A 95 2.186 18.797 -6.335 1.00 0.00 C ATOM 1449 O LYS A 95 0.998 18.567 -6.447 1.00 0.00 O ATOM 1450 CB LYS A 95 3.239 20.785 -5.244 1.00 0.00 C ATOM 1451 CG LYS A 95 4.036 21.253 -4.024 1.00 0.00 C ATOM 1452 CD LYS A 95 5.430 21.705 -4.464 1.00 0.00 C ATOM 1453 CE LYS A 95 6.212 22.210 -3.250 1.00 0.00 C ATOM 1454 NZ LYS A 95 7.672 22.151 -3.540 1.00 0.00 N ATOM 0 H LYS A 95 4.795 19.005 -4.441 1.00 0.00 H new ATOM 0 HA LYS A 95 2.007 19.322 -4.253 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.856 20.848 -6.140 1.00 0.00 H new ATOM 0 HB3 LYS A 95 2.380 21.437 -5.402 1.00 0.00 H new ATOM 0 HG2 LYS A 95 3.516 22.074 -3.530 1.00 0.00 H new ATOM 0 HG3 LYS A 95 4.117 20.444 -3.298 1.00 0.00 H new ATOM 0 HD2 LYS A 95 5.961 20.876 -4.933 1.00 0.00 H new ATOM 0 HD3 LYS A 95 5.349 22.495 -5.211 1.00 0.00 H new ATOM 0 HE2 LYS A 95 5.918 23.233 -3.015 1.00 0.00 H new ATOM 0 HE3 LYS A 95 5.979 21.602 -2.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 8.204 22.494 -2.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 7.946 21.169 -3.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 7.887 22.749 -4.363 1.00 0.00 H new ATOM 1468 N LEU A 96 3.011 18.587 -7.324 1.00 0.00 N ATOM 1469 CA LEU A 96 2.502 18.056 -8.621 1.00 0.00 C ATOM 1470 C LEU A 96 1.858 16.688 -8.391 1.00 0.00 C ATOM 1471 O LEU A 96 0.668 16.513 -8.569 1.00 0.00 O ATOM 1472 CB LEU A 96 3.665 17.915 -9.606 1.00 0.00 C ATOM 1473 CG LEU A 96 3.614 19.056 -10.624 1.00 0.00 C ATOM 1474 CD1 LEU A 96 3.868 20.385 -9.913 1.00 0.00 C ATOM 1475 CD2 LEU A 96 4.690 18.836 -11.690 1.00 0.00 C ATOM 0 H LEU A 96 4.016 18.760 -7.290 1.00 0.00 H new ATOM 0 HA LEU A 96 1.761 18.743 -9.031 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.614 17.934 -9.070 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.607 16.954 -10.118 1.00 0.00 H new ATOM 0 HG LEU A 96 2.632 19.078 -11.096 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.832 21.198 -10.638 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.103 20.543 -9.152 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.850 20.363 -9.441 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.655 19.648 -12.416 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.672 18.815 -11.217 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.511 17.888 -12.197 1.00 0.00 H new ATOM 1487 N ILE A 97 2.634 15.716 -7.998 1.00 0.00 N ATOM 1488 CA ILE A 97 2.068 14.359 -7.756 1.00 0.00 C ATOM 1489 C ILE A 97 0.738 14.483 -7.010 1.00 0.00 C ATOM 1490 O ILE A 97 -0.200 13.756 -7.267 1.00 0.00 O ATOM 1491 CB ILE A 97 3.047 13.543 -6.911 1.00 0.00 C ATOM 1492 CG1 ILE A 97 4.208 13.068 -7.788 1.00 0.00 C ATOM 1493 CG2 ILE A 97 2.323 12.332 -6.322 1.00 0.00 C ATOM 1494 CD1 ILE A 97 5.426 12.775 -6.909 1.00 0.00 C ATOM 0 H ILE A 97 3.637 15.803 -7.834 1.00 0.00 H new ATOM 0 HA ILE A 97 1.904 13.860 -8.711 1.00 0.00 H new ATOM 0 HB ILE A 97 3.435 14.164 -6.103 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.919 12.172 -8.338 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.455 13.830 -8.527 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.020 11.749 -5.719 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.497 12.671 -5.696 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.935 11.712 -7.130 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.253 12.437 -7.534 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.719 13.681 -6.379 1.00 0.00 H new ATOM 0 HD13 ILE A 97 5.175 11.998 -6.187 1.00 0.00 H new ATOM 1506 N ASP A 98 0.652 15.396 -6.080 1.00 0.00 N ATOM 1507 CA ASP A 98 -0.613 15.562 -5.311 1.00 0.00 C ATOM 1508 C ASP A 98 -1.745 15.971 -6.258 1.00 0.00 C ATOM 1509 O ASP A 98 -2.787 15.347 -6.299 1.00 0.00 O ATOM 1510 CB ASP A 98 -0.423 16.646 -4.248 1.00 0.00 C ATOM 1511 CG ASP A 98 -0.210 15.990 -2.883 1.00 0.00 C ATOM 1512 OD1 ASP A 98 0.263 14.866 -2.854 1.00 0.00 O ATOM 1513 OD2 ASP A 98 -0.526 16.623 -1.888 1.00 0.00 O ATOM 0 H ASP A 98 1.404 16.034 -5.820 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.869 14.618 -4.830 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.433 17.272 -4.500 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -1.296 17.298 -4.218 1.00 0.00 H new ATOM 1518 N GLU A 99 -1.552 17.016 -7.014 1.00 0.00 N ATOM 1519 CA GLU A 99 -2.619 17.466 -7.951 1.00 0.00 C ATOM 1520 C GLU A 99 -2.885 16.380 -8.998 1.00 0.00 C ATOM 1521 O GLU A 99 -4.017 16.044 -9.282 1.00 0.00 O ATOM 1522 CB GLU A 99 -2.172 18.750 -8.653 1.00 0.00 C ATOM 1523 CG GLU A 99 -1.751 19.782 -7.605 1.00 0.00 C ATOM 1524 CD GLU A 99 -0.787 20.787 -8.239 1.00 0.00 C ATOM 1525 OE1 GLU A 99 -0.677 20.787 -9.454 1.00 0.00 O ATOM 1526 OE2 GLU A 99 -0.173 21.538 -7.498 1.00 0.00 O ATOM 0 H GLU A 99 -0.701 17.578 -7.023 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.534 17.654 -7.389 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -1.341 18.539 -9.326 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -2.984 19.146 -9.263 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -2.628 20.299 -7.215 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -1.272 19.285 -6.761 1.00 0.00 H new ATOM 1533 N GLN A 100 -1.852 15.832 -9.577 1.00 0.00 N ATOM 1534 CA GLN A 100 -2.051 14.773 -10.608 1.00 0.00 C ATOM 1535 C GLN A 100 -2.869 13.625 -10.011 1.00 0.00 C ATOM 1536 O GLN A 100 -3.878 13.220 -10.554 1.00 0.00 O ATOM 1537 CB GLN A 100 -0.691 14.246 -11.069 1.00 0.00 C ATOM 1538 CG GLN A 100 0.140 15.402 -11.633 1.00 0.00 C ATOM 1539 CD GLN A 100 -0.640 16.093 -12.752 1.00 0.00 C ATOM 1540 OE1 GLN A 100 -1.387 15.458 -13.470 1.00 0.00 O ATOM 1541 NE2 GLN A 100 -0.498 17.378 -12.932 1.00 0.00 N ATOM 0 H GLN A 100 -0.880 16.071 -9.381 1.00 0.00 H new ATOM 0 HA GLN A 100 -2.585 15.193 -11.461 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.167 13.781 -10.234 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.826 13.476 -11.829 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.372 16.116 -10.843 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.090 15.028 -12.015 1.00 0.00 H new ATOM 0 HE21 GLN A 100 0.129 17.911 -12.329 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -1.014 17.849 -13.675 1.00 0.00 H new ATOM 1550 N VAL A 101 -2.444 13.097 -8.896 1.00 0.00 N ATOM 1551 CA VAL A 101 -3.201 11.978 -8.269 1.00 0.00 C ATOM 1552 C VAL A 101 -4.609 12.454 -7.912 1.00 0.00 C ATOM 1553 O VAL A 101 -5.594 11.865 -8.312 1.00 0.00 O ATOM 1554 CB VAL A 101 -2.477 11.522 -7.000 1.00 0.00 C ATOM 1555 CG1 VAL A 101 -3.392 10.598 -6.194 1.00 0.00 C ATOM 1556 CG2 VAL A 101 -1.203 10.768 -7.385 1.00 0.00 C ATOM 0 H VAL A 101 -1.607 13.392 -8.393 1.00 0.00 H new ATOM 0 HA VAL A 101 -3.267 11.145 -8.968 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.218 12.392 -6.397 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.876 10.273 -5.290 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.301 11.134 -5.920 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.652 9.727 -6.796 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.686 10.442 -6.482 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.463 9.898 -7.988 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.551 11.426 -7.960 1.00 0.00 H new ATOM 1566 N GLU A 102 -4.713 13.520 -7.167 1.00 0.00 N ATOM 1567 CA GLU A 102 -6.058 14.036 -6.787 1.00 0.00 C ATOM 1568 C GLU A 102 -6.991 13.970 -7.997 1.00 0.00 C ATOM 1569 O GLU A 102 -8.169 13.701 -7.871 1.00 0.00 O ATOM 1570 CB GLU A 102 -5.933 15.487 -6.319 1.00 0.00 C ATOM 1571 CG GLU A 102 -5.642 15.518 -4.817 1.00 0.00 C ATOM 1572 CD GLU A 102 -5.622 16.969 -4.331 1.00 0.00 C ATOM 1573 OE1 GLU A 102 -6.622 17.645 -4.508 1.00 0.00 O ATOM 1574 OE2 GLU A 102 -4.607 17.378 -3.792 1.00 0.00 O ATOM 0 H GLU A 102 -3.924 14.056 -6.805 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.466 13.427 -5.980 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.134 15.988 -6.865 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.854 16.029 -6.533 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -6.402 14.953 -4.277 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -4.684 15.041 -4.611 1.00 0.00 H new ATOM 1581 N LYS A 103 -6.473 14.213 -9.170 1.00 0.00 N ATOM 1582 CA LYS A 103 -7.330 14.164 -10.388 1.00 0.00 C ATOM 1583 C LYS A 103 -7.761 12.718 -10.649 1.00 0.00 C ATOM 1584 O LYS A 103 -8.931 12.394 -10.616 1.00 0.00 O ATOM 1585 CB LYS A 103 -6.542 14.686 -11.591 1.00 0.00 C ATOM 1586 CG LYS A 103 -6.994 16.109 -11.920 1.00 0.00 C ATOM 1587 CD LYS A 103 -6.334 16.567 -13.222 1.00 0.00 C ATOM 1588 CE LYS A 103 -6.713 18.022 -13.503 1.00 0.00 C ATOM 1589 NZ LYS A 103 -5.797 18.927 -12.752 1.00 0.00 N ATOM 0 H LYS A 103 -5.494 14.443 -9.337 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.212 14.786 -10.236 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.474 14.674 -11.372 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.699 14.035 -12.451 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.079 16.143 -12.018 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.726 16.784 -11.107 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -5.251 16.470 -13.146 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.654 15.931 -14.047 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.648 18.226 -14.572 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.746 18.204 -13.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.054 19.917 -12.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -5.880 18.738 -11.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -4.817 18.759 -13.056 1.00 0.00 H new ATOM 1603 N LEU A 104 -6.823 11.849 -10.908 1.00 0.00 N ATOM 1604 CA LEU A 104 -7.179 10.427 -11.171 1.00 0.00 C ATOM 1605 C LEU A 104 -8.045 9.898 -10.025 1.00 0.00 C ATOM 1606 O LEU A 104 -8.758 8.925 -10.171 1.00 0.00 O ATOM 1607 CB LEU A 104 -5.902 9.590 -11.270 1.00 0.00 C ATOM 1608 CG LEU A 104 -4.925 10.263 -12.236 1.00 0.00 C ATOM 1609 CD1 LEU A 104 -3.596 9.508 -12.223 1.00 0.00 C ATOM 1610 CD2 LEU A 104 -5.510 10.240 -13.650 1.00 0.00 C ATOM 0 H LEU A 104 -5.826 12.062 -10.949 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.732 10.359 -12.108 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.445 9.487 -10.286 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.139 8.585 -11.618 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.760 11.295 -11.927 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.899 9.987 -12.911 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.179 9.522 -11.216 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.761 8.476 -12.533 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.815 10.719 -14.339 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.674 9.208 -13.959 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.459 10.777 -13.660 1.00 0.00 H new ATOM 1622 N VAL A 105 -7.990 10.532 -8.886 1.00 0.00 N ATOM 1623 CA VAL A 105 -8.811 10.066 -7.733 1.00 0.00 C ATOM 1624 C VAL A 105 -10.274 10.445 -7.966 1.00 0.00 C ATOM 1625 O VAL A 105 -11.127 9.596 -8.132 1.00 0.00 O ATOM 1626 CB VAL A 105 -8.310 10.728 -6.449 1.00 0.00 C ATOM 1627 CG1 VAL A 105 -9.374 10.599 -5.358 1.00 0.00 C ATOM 1628 CG2 VAL A 105 -7.022 10.040 -5.989 1.00 0.00 C ATOM 0 H VAL A 105 -7.412 11.353 -8.704 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.726 8.983 -7.639 1.00 0.00 H new ATOM 0 HB VAL A 105 -8.111 11.783 -6.639 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.016 11.071 -4.443 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.291 11.089 -5.684 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.574 9.545 -5.168 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.664 10.512 -5.074 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -7.221 8.985 -5.800 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.263 10.133 -6.765 1.00 0.00 H new ATOM 1638 N ASN A 106 -10.571 11.715 -7.980 1.00 0.00 N ATOM 1639 CA ASN A 106 -11.979 12.148 -8.203 1.00 0.00 C ATOM 1640 C ASN A 106 -12.534 11.456 -9.451 1.00 0.00 C ATOM 1641 O ASN A 106 -13.595 10.864 -9.424 1.00 0.00 O ATOM 1642 CB ASN A 106 -12.021 13.666 -8.398 1.00 0.00 C ATOM 1643 CG ASN A 106 -12.024 14.356 -7.033 1.00 0.00 C ATOM 1644 OD1 ASN A 106 -12.601 13.855 -6.087 1.00 0.00 O ATOM 1645 ND2 ASN A 106 -11.401 15.493 -6.888 1.00 0.00 N ATOM 0 H ASN A 106 -9.900 12.471 -7.847 1.00 0.00 H new ATOM 0 HA ASN A 106 -12.585 11.877 -7.338 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -11.159 13.992 -8.980 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.911 13.946 -8.961 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -11.398 15.961 -5.982 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -10.917 15.914 -7.681 1.00 0.00 H new ATOM 1652 N LEU A 107 -11.825 11.528 -10.544 1.00 0.00 N ATOM 1653 CA LEU A 107 -12.310 10.875 -11.793 1.00 0.00 C ATOM 1654 C LEU A 107 -12.600 9.398 -11.525 1.00 0.00 C ATOM 1655 O LEU A 107 -13.622 8.872 -11.919 1.00 0.00 O ATOM 1656 CB LEU A 107 -11.237 10.994 -12.878 1.00 0.00 C ATOM 1657 CG LEU A 107 -11.558 10.031 -14.022 1.00 0.00 C ATOM 1658 CD1 LEU A 107 -11.277 10.718 -15.359 1.00 0.00 C ATOM 1659 CD2 LEU A 107 -10.680 8.783 -13.898 1.00 0.00 C ATOM 0 H LEU A 107 -10.930 12.011 -10.626 1.00 0.00 H new ATOM 0 HA LEU A 107 -13.224 11.367 -12.126 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -11.194 12.017 -13.251 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -10.256 10.766 -12.461 1.00 0.00 H new ATOM 0 HG LEU A 107 -12.609 9.745 -13.973 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.505 10.033 -16.175 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -11.899 11.609 -15.448 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -10.226 11.003 -15.408 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.908 8.096 -14.713 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.630 9.070 -13.948 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.877 8.293 -12.944 1.00 0.00 H new ATOM 1671 N ALA A 108 -11.704 8.721 -10.860 1.00 0.00 N ATOM 1672 CA ALA A 108 -11.925 7.275 -10.570 1.00 0.00 C ATOM 1673 C ALA A 108 -13.285 7.088 -9.892 1.00 0.00 C ATOM 1674 O ALA A 108 -14.169 6.442 -10.421 1.00 0.00 O ATOM 1675 CB ALA A 108 -10.818 6.769 -9.642 1.00 0.00 C ATOM 0 H ALA A 108 -10.829 9.106 -10.505 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.907 6.711 -11.503 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -10.977 5.712 -9.428 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -9.850 6.900 -10.125 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -10.838 7.334 -8.710 1.00 0.00 H new ATOM 1681 N GLU A 109 -13.460 7.644 -8.725 1.00 0.00 N ATOM 1682 CA GLU A 109 -14.760 7.494 -8.012 1.00 0.00 C ATOM 1683 C GLU A 109 -15.904 7.966 -8.914 1.00 0.00 C ATOM 1684 O GLU A 109 -16.953 7.355 -8.972 1.00 0.00 O ATOM 1685 CB GLU A 109 -14.738 8.335 -6.735 1.00 0.00 C ATOM 1686 CG GLU A 109 -14.044 7.552 -5.619 1.00 0.00 C ATOM 1687 CD GLU A 109 -12.701 7.023 -6.127 1.00 0.00 C ATOM 1688 OE1 GLU A 109 -12.712 6.198 -7.025 1.00 0.00 O ATOM 1689 OE2 GLU A 109 -11.683 7.452 -5.608 1.00 0.00 O ATOM 0 H GLU A 109 -12.758 8.197 -8.233 1.00 0.00 H new ATOM 0 HA GLU A 109 -14.913 6.445 -7.758 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -14.214 9.274 -6.915 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -15.755 8.589 -6.437 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -13.890 8.194 -4.752 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -14.674 6.724 -5.295 1.00 0.00 H new ATOM 1696 N LYS A 110 -15.712 9.049 -9.615 1.00 0.00 N ATOM 1697 CA LYS A 110 -16.792 9.558 -10.509 1.00 0.00 C ATOM 1698 C LYS A 110 -17.223 8.453 -11.477 1.00 0.00 C ATOM 1699 O LYS A 110 -18.357 8.401 -11.908 1.00 0.00 O ATOM 1700 CB LYS A 110 -16.271 10.757 -11.305 1.00 0.00 C ATOM 1701 CG LYS A 110 -16.215 11.991 -10.398 1.00 0.00 C ATOM 1702 CD LYS A 110 -17.072 13.108 -10.998 1.00 0.00 C ATOM 1703 CE LYS A 110 -16.815 14.412 -10.241 1.00 0.00 C ATOM 1704 NZ LYS A 110 -15.806 15.225 -10.979 1.00 0.00 N ATOM 0 H LYS A 110 -14.856 9.603 -9.608 1.00 0.00 H new ATOM 0 HA LYS A 110 -17.647 9.863 -9.905 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -15.279 10.540 -11.702 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -16.921 10.950 -12.159 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -16.575 11.738 -9.401 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -15.184 12.328 -10.289 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -16.834 13.236 -12.054 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -18.128 12.843 -10.938 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -17.744 14.973 -10.136 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -16.458 14.196 -9.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -15.631 16.112 -10.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -14.918 14.689 -11.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -16.164 15.442 -11.931 1.00 0.00 H new ATOM 1718 N PHE A 111 -16.327 7.570 -11.823 1.00 0.00 N ATOM 1719 CA PHE A 111 -16.688 6.474 -12.764 1.00 0.00 C ATOM 1720 C PHE A 111 -17.077 5.225 -11.969 1.00 0.00 C ATOM 1721 O PHE A 111 -18.238 4.890 -11.846 1.00 0.00 O ATOM 1722 CB PHE A 111 -15.486 6.155 -13.656 1.00 0.00 C ATOM 1723 CG PHE A 111 -15.394 7.178 -14.762 1.00 0.00 C ATOM 1724 CD1 PHE A 111 -15.289 8.539 -14.450 1.00 0.00 C ATOM 1725 CD2 PHE A 111 -15.417 6.767 -16.100 1.00 0.00 C ATOM 1726 CE1 PHE A 111 -15.205 9.488 -15.476 1.00 0.00 C ATOM 1727 CE2 PHE A 111 -15.332 7.716 -17.125 1.00 0.00 C ATOM 1728 CZ PHE A 111 -15.226 9.077 -16.813 1.00 0.00 C ATOM 0 H PHE A 111 -15.361 7.561 -11.495 1.00 0.00 H new ATOM 0 HA PHE A 111 -17.529 6.787 -13.382 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -14.570 6.159 -13.065 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -15.588 5.155 -14.078 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -15.273 8.857 -13.418 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -15.500 5.718 -16.341 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -15.124 10.538 -15.235 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -15.348 7.399 -18.157 1.00 0.00 H new ATOM 0 HZ PHE A 111 -15.160 9.809 -17.604 1.00 0.00 H new ATOM 1738 N ASP A 112 -16.110 4.534 -11.434 1.00 0.00 N ATOM 1739 CA ASP A 112 -16.411 3.304 -10.649 1.00 0.00 C ATOM 1740 C ASP A 112 -15.145 2.453 -10.551 1.00 0.00 C ATOM 1741 O ASP A 112 -15.197 1.239 -10.555 1.00 0.00 O ATOM 1742 CB ASP A 112 -17.509 2.503 -11.353 1.00 0.00 C ATOM 1743 CG ASP A 112 -18.853 2.765 -10.670 1.00 0.00 C ATOM 1744 OD1 ASP A 112 -18.922 2.605 -9.462 1.00 0.00 O ATOM 1745 OD2 ASP A 112 -19.789 3.120 -11.366 1.00 0.00 O ATOM 0 H ASP A 112 -15.120 4.769 -11.507 1.00 0.00 H new ATOM 0 HA ASP A 112 -16.750 3.579 -9.650 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -17.562 2.786 -12.404 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -17.274 1.439 -11.321 1.00 0.00 H new ATOM 1750 N ILE A 113 -14.006 3.083 -10.469 1.00 0.00 N ATOM 1751 CA ILE A 113 -12.732 2.318 -10.379 1.00 0.00 C ATOM 1752 C ILE A 113 -12.023 2.656 -9.066 1.00 0.00 C ATOM 1753 O ILE A 113 -12.358 3.614 -8.397 1.00 0.00 O ATOM 1754 CB ILE A 113 -11.832 2.696 -11.556 1.00 0.00 C ATOM 1755 CG1 ILE A 113 -11.776 4.221 -11.680 1.00 0.00 C ATOM 1756 CG2 ILE A 113 -12.401 2.100 -12.847 1.00 0.00 C ATOM 1757 CD1 ILE A 113 -10.610 4.619 -12.587 1.00 0.00 C ATOM 0 H ILE A 113 -13.903 4.098 -10.460 1.00 0.00 H new ATOM 0 HA ILE A 113 -12.946 1.250 -10.409 1.00 0.00 H new ATOM 0 HB ILE A 113 -10.828 2.305 -11.388 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -12.713 4.597 -12.089 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -11.654 4.672 -10.695 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -11.759 2.370 -13.686 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -12.445 1.015 -12.758 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -13.404 2.491 -13.017 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -10.571 5.705 -12.674 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -9.676 4.256 -12.159 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -10.751 4.180 -13.575 1.00 0.00 H new ATOM 1769 N ILE A 114 -11.045 1.879 -8.694 1.00 0.00 N ATOM 1770 CA ILE A 114 -10.312 2.158 -7.426 1.00 0.00 C ATOM 1771 C ILE A 114 -8.866 2.534 -7.749 1.00 0.00 C ATOM 1772 O ILE A 114 -8.095 1.726 -8.228 1.00 0.00 O ATOM 1773 CB ILE A 114 -10.341 0.910 -6.536 1.00 0.00 C ATOM 1774 CG1 ILE A 114 -9.096 0.879 -5.642 1.00 0.00 C ATOM 1775 CG2 ILE A 114 -10.363 -0.341 -7.417 1.00 0.00 C ATOM 1776 CD1 ILE A 114 -8.964 2.209 -4.897 1.00 0.00 C ATOM 0 H ILE A 114 -10.721 1.063 -9.212 1.00 0.00 H new ATOM 0 HA ILE A 114 -10.789 2.985 -6.899 1.00 0.00 H new ATOM 0 HB ILE A 114 -11.233 0.936 -5.910 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -9.168 0.057 -4.929 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -8.207 0.700 -6.246 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -10.384 -1.230 -6.786 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -11.250 -0.325 -8.050 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -9.471 -0.361 -8.043 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -8.078 2.184 -4.262 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -8.872 3.022 -5.617 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -9.848 2.370 -4.280 1.00 0.00 H new ATOM 1788 N TYR A 115 -8.493 3.757 -7.493 1.00 0.00 N ATOM 1789 CA TYR A 115 -7.099 4.191 -7.784 1.00 0.00 C ATOM 1790 C TYR A 115 -6.238 4.011 -6.530 1.00 0.00 C ATOM 1791 O TYR A 115 -6.442 4.666 -5.527 1.00 0.00 O ATOM 1792 CB TYR A 115 -7.107 5.665 -8.204 1.00 0.00 C ATOM 1793 CG TYR A 115 -5.796 6.316 -7.826 1.00 0.00 C ATOM 1794 CD1 TYR A 115 -5.648 6.909 -6.567 1.00 0.00 C ATOM 1795 CD2 TYR A 115 -4.732 6.326 -8.734 1.00 0.00 C ATOM 1796 CE1 TYR A 115 -4.435 7.512 -6.215 1.00 0.00 C ATOM 1797 CE2 TYR A 115 -3.519 6.930 -8.383 1.00 0.00 C ATOM 1798 CZ TYR A 115 -3.369 7.523 -7.123 1.00 0.00 C ATOM 1799 OH TYR A 115 -2.173 8.117 -6.777 1.00 0.00 O ATOM 0 H TYR A 115 -9.096 4.476 -7.094 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.685 3.588 -8.592 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -7.266 5.745 -9.279 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.934 6.185 -7.721 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -6.470 6.901 -5.867 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -4.846 5.868 -9.705 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -4.321 7.969 -5.243 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -2.698 6.939 -9.085 1.00 0.00 H new ATOM 0 HH TYR A 115 -1.727 7.579 -6.090 1.00 0.00 H new ATOM 1809 N ASP A 116 -5.278 3.128 -6.579 1.00 0.00 N ATOM 1810 CA ASP A 116 -4.406 2.907 -5.392 1.00 0.00 C ATOM 1811 C ASP A 116 -3.134 2.173 -5.825 1.00 0.00 C ATOM 1812 O ASP A 116 -3.042 0.965 -5.736 1.00 0.00 O ATOM 1813 CB ASP A 116 -5.155 2.062 -4.358 1.00 0.00 C ATOM 1814 CG ASP A 116 -4.220 1.733 -3.193 1.00 0.00 C ATOM 1815 OD1 ASP A 116 -3.106 1.309 -3.455 1.00 0.00 O ATOM 1816 OD2 ASP A 116 -4.633 1.911 -2.060 1.00 0.00 O ATOM 0 H ASP A 116 -5.060 2.550 -7.391 1.00 0.00 H new ATOM 0 HA ASP A 116 -4.140 3.868 -4.952 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.029 2.603 -3.995 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -5.518 1.143 -4.818 1.00 0.00 H new ATOM 1821 N GLY A 117 -2.153 2.894 -6.295 1.00 0.00 N ATOM 1822 CA GLY A 117 -0.889 2.238 -6.735 1.00 0.00 C ATOM 1823 C GLY A 117 -0.089 3.203 -7.612 1.00 0.00 C ATOM 1824 O GLY A 117 -0.153 3.152 -8.824 1.00 0.00 O ATOM 0 H GLY A 117 -2.172 3.909 -6.393 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -0.298 1.945 -5.867 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -1.114 1.327 -7.290 1.00 0.00 H new ATOM 1828 N TRP A 118 0.666 4.082 -7.010 1.00 0.00 N ATOM 1829 CA TRP A 118 1.469 5.048 -7.813 1.00 0.00 C ATOM 1830 C TRP A 118 2.957 4.855 -7.503 1.00 0.00 C ATOM 1831 O TRP A 118 3.321 4.338 -6.465 1.00 0.00 O ATOM 1832 CB TRP A 118 1.048 6.480 -7.460 1.00 0.00 C ATOM 1833 CG TRP A 118 1.866 6.980 -6.309 1.00 0.00 C ATOM 1834 CD1 TRP A 118 1.643 6.681 -5.009 1.00 0.00 C ATOM 1835 CD2 TRP A 118 3.030 7.856 -6.334 1.00 0.00 C ATOM 1836 NE1 TRP A 118 2.596 7.317 -4.235 1.00 0.00 N ATOM 1837 CE2 TRP A 118 3.473 8.055 -5.005 1.00 0.00 C ATOM 1838 CE3 TRP A 118 3.737 8.493 -7.371 1.00 0.00 C ATOM 1839 CZ2 TRP A 118 4.579 8.854 -4.715 1.00 0.00 C ATOM 1840 CZ3 TRP A 118 4.850 9.299 -7.081 1.00 0.00 C ATOM 1841 CH2 TRP A 118 5.270 9.479 -5.756 1.00 0.00 C ATOM 0 H TRP A 118 0.761 4.173 -5.999 1.00 0.00 H new ATOM 0 HA TRP A 118 1.296 4.873 -8.875 1.00 0.00 H new ATOM 0 HB2 TRP A 118 1.182 7.132 -8.323 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -0.011 6.505 -7.203 1.00 0.00 H new ATOM 0 HD1 TRP A 118 0.850 6.049 -4.636 1.00 0.00 H new ATOM 0 HE1 TRP A 118 2.645 7.249 -3.218 1.00 0.00 H new ATOM 0 HE3 TRP A 118 3.422 8.361 -8.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 4.899 8.989 -3.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 5.386 9.783 -7.884 1.00 0.00 H new ATOM 0 HH2 TRP A 118 6.127 10.100 -5.540 1.00 0.00 H new ATOM 1852 N GLY A 119 3.819 5.268 -8.391 1.00 0.00 N ATOM 1853 CA GLY A 119 5.279 5.107 -8.137 1.00 0.00 C ATOM 1854 C GLY A 119 6.068 5.557 -9.368 1.00 0.00 C ATOM 1855 O GLY A 119 5.560 5.575 -10.472 1.00 0.00 O ATOM 0 H GLY A 119 3.577 5.709 -9.279 1.00 0.00 H new ATOM 0 HA2 GLY A 119 5.574 5.696 -7.268 1.00 0.00 H new ATOM 0 HA3 GLY A 119 5.506 4.066 -7.908 1.00 0.00 H new ATOM 1859 N THR A 120 7.310 5.918 -9.187 1.00 0.00 N ATOM 1860 CA THR A 120 8.134 6.363 -10.346 1.00 0.00 C ATOM 1861 C THR A 120 9.352 5.449 -10.482 1.00 0.00 C ATOM 1862 O THR A 120 9.661 4.673 -9.600 1.00 0.00 O ATOM 1863 CB THR A 120 8.599 7.806 -10.120 1.00 0.00 C ATOM 1864 OG1 THR A 120 9.616 8.125 -11.058 1.00 0.00 O ATOM 1865 CG2 THR A 120 9.146 7.954 -8.699 1.00 0.00 C ATOM 0 H THR A 120 7.789 5.924 -8.286 1.00 0.00 H new ATOM 0 HA THR A 120 7.538 6.314 -11.257 1.00 0.00 H new ATOM 0 HB THR A 120 7.756 8.484 -10.252 1.00 0.00 H new ATOM 0 HG1 THR A 120 9.240 8.680 -11.773 1.00 0.00 H new ATOM 0 HG21 THR A 120 9.476 8.981 -8.541 1.00 0.00 H new ATOM 0 HG22 THR A 120 8.363 7.710 -7.981 1.00 0.00 H new ATOM 0 HG23 THR A 120 9.989 7.277 -8.561 1.00 0.00 H new ATOM 1873 N TYR A 121 10.047 5.532 -11.586 1.00 0.00 N ATOM 1874 CA TYR A 121 11.244 4.666 -11.780 1.00 0.00 C ATOM 1875 C TYR A 121 12.495 5.540 -11.873 1.00 0.00 C ATOM 1876 O TYR A 121 12.454 6.648 -12.370 1.00 0.00 O ATOM 1877 CB TYR A 121 11.085 3.863 -13.075 1.00 0.00 C ATOM 1878 CG TYR A 121 11.369 2.404 -12.806 1.00 0.00 C ATOM 1879 CD1 TYR A 121 10.490 1.653 -12.016 1.00 0.00 C ATOM 1880 CD2 TYR A 121 12.510 1.802 -13.348 1.00 0.00 C ATOM 1881 CE1 TYR A 121 10.753 0.301 -11.768 1.00 0.00 C ATOM 1882 CE2 TYR A 121 12.774 0.449 -13.100 1.00 0.00 C ATOM 1883 CZ TYR A 121 11.894 -0.301 -12.310 1.00 0.00 C ATOM 1884 OH TYR A 121 12.154 -1.635 -12.066 1.00 0.00 O ATOM 0 H TYR A 121 9.837 6.162 -12.360 1.00 0.00 H new ATOM 0 HA TYR A 121 11.341 3.983 -10.936 1.00 0.00 H new ATOM 0 HB2 TYR A 121 10.074 3.981 -13.466 1.00 0.00 H new ATOM 0 HB3 TYR A 121 11.767 4.242 -13.836 1.00 0.00 H new ATOM 0 HD1 TYR A 121 9.609 2.117 -11.598 1.00 0.00 H new ATOM 0 HD2 TYR A 121 13.188 2.381 -13.958 1.00 0.00 H new ATOM 0 HE1 TYR A 121 10.075 -0.278 -11.158 1.00 0.00 H new ATOM 0 HE2 TYR A 121 13.655 -0.015 -13.518 1.00 0.00 H new ATOM 0 HH TYR A 121 12.985 -1.894 -12.517 1.00 0.00 H new