USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 814 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 GLN : amide:sc= -2.99! C(o=-4.5!,f=-4.1!) USER MOD Set 1.2: A 115 TYR OH : rot 15:sc= -1.48 USER MOD Single : A 18 LYS NZ :NH3+ 144:sc= -2.1 (180deg=-3.54!) USER MOD Single : A 21 THR OG1 : rot 85:sc= 0.77 USER MOD Single : A 26 GLN : amide:sc= -0.0703 X(o=-0.07,f=-0.19) USER MOD Single : A 33 SER OG : rot 43:sc= -0.128 USER MOD Single : A 39 TYR OH : rot 75:sc= 0.942 USER MOD Single : A 43 HIS : no HD1:sc= -5.2! C(o=-5.2!,f=-6.7!) USER MOD Single : A 44 HIS : no HE2:sc= -0.455! C(o=-0.46!,f=-7.5!) USER MOD Single : A 52 LYS NZ :NH3+ -155:sc= -1.54 (180deg=-2.29!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -150:sc= -0.286 (180deg=-1.24!) USER MOD Single : A 63 MET CE :methyl -166:sc= -0.015 (180deg=-0.377) 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 -60:sc= -0.423 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.094 USER MOD Single : A 88 MET CE :methyl -157:sc= -2.97 (180deg=-4.69!) USER MOD Single : A 89 GLN : amide:sc= -0.0493 K(o=-0.049,f=-1.3!) USER MOD Single : A 90 SER OG : rot 180:sc=-0.00437 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.34) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 73:sc= 0.365 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 156 N GLU A 11 -10.668 10.216 1.054 1.00 0.00 N ATOM 157 CA GLU A 11 -9.979 11.154 1.985 1.00 0.00 C ATOM 158 C GLU A 11 -8.791 10.448 2.643 1.00 0.00 C ATOM 159 O GLU A 11 -7.653 10.843 2.479 1.00 0.00 O ATOM 160 CB GLU A 11 -10.961 11.610 3.067 1.00 0.00 C ATOM 161 CG GLU A 11 -10.188 12.249 4.222 1.00 0.00 C ATOM 162 CD GLU A 11 -11.163 12.985 5.144 1.00 0.00 C ATOM 163 OE1 GLU A 11 -11.947 12.318 5.799 1.00 0.00 O ATOM 164 OE2 GLU A 11 -11.109 14.204 5.177 1.00 0.00 O ATOM 0 HA GLU A 11 -9.621 12.019 1.426 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.671 12.325 2.651 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.540 10.760 3.429 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.650 11.483 4.781 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.443 12.944 3.834 1.00 0.00 H new ATOM 171 N GLU A 12 -9.046 9.409 3.390 1.00 0.00 N ATOM 172 CA GLU A 12 -7.933 8.681 4.062 1.00 0.00 C ATOM 173 C GLU A 12 -6.889 8.262 3.025 1.00 0.00 C ATOM 174 O GLU A 12 -5.730 8.614 3.120 1.00 0.00 O ATOM 175 CB GLU A 12 -8.487 7.437 4.757 1.00 0.00 C ATOM 176 CG GLU A 12 -9.963 7.657 5.099 1.00 0.00 C ATOM 177 CD GLU A 12 -10.348 6.779 6.291 1.00 0.00 C ATOM 178 OE1 GLU A 12 -9.547 5.941 6.667 1.00 0.00 O ATOM 179 OE2 GLU A 12 -11.438 6.962 6.808 1.00 0.00 O ATOM 0 H GLU A 12 -9.978 9.033 3.564 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.467 9.335 4.798 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.379 6.567 4.109 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.919 7.231 5.664 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.140 8.706 5.335 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.587 7.414 4.239 1.00 0.00 H new ATOM 186 N LEU A 13 -7.288 7.509 2.037 1.00 0.00 N ATOM 187 CA LEU A 13 -6.315 7.065 0.999 1.00 0.00 C ATOM 188 C LEU A 13 -5.427 8.243 0.589 1.00 0.00 C ATOM 189 O LEU A 13 -4.225 8.114 0.474 1.00 0.00 O ATOM 190 CB LEU A 13 -7.077 6.549 -0.224 1.00 0.00 C ATOM 191 CG LEU A 13 -8.259 5.694 0.237 1.00 0.00 C ATOM 192 CD1 LEU A 13 -8.817 4.911 -0.952 1.00 0.00 C ATOM 193 CD2 LEU A 13 -7.790 4.715 1.315 1.00 0.00 C ATOM 0 H LEU A 13 -8.245 7.182 1.904 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.692 6.268 1.404 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.432 7.386 -0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.414 5.961 -0.858 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.037 6.340 0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.659 4.302 -0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.151 5.607 -1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.039 4.265 -1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.632 4.105 1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.012 4.070 0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.392 5.271 2.163 1.00 0.00 H new ATOM 205 N ILE A 14 -6.007 9.391 0.368 1.00 0.00 N ATOM 206 CA ILE A 14 -5.191 10.572 -0.034 1.00 0.00 C ATOM 207 C ILE A 14 -4.183 10.897 1.071 1.00 0.00 C ATOM 208 O ILE A 14 -3.051 11.249 0.806 1.00 0.00 O ATOM 209 CB ILE A 14 -6.107 11.775 -0.261 1.00 0.00 C ATOM 210 CG1 ILE A 14 -6.751 11.672 -1.646 1.00 0.00 C ATOM 211 CG2 ILE A 14 -5.288 13.064 -0.178 1.00 0.00 C ATOM 212 CD1 ILE A 14 -8.097 12.399 -1.639 1.00 0.00 C ATOM 0 H ILE A 14 -7.009 9.562 0.448 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.657 10.346 -0.957 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.884 11.787 0.503 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.094 12.109 -2.398 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.892 10.625 -1.916 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.941 13.921 -0.340 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.827 13.140 0.807 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.511 13.051 -0.942 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.555 12.326 -2.625 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -8.754 11.942 -0.899 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.942 13.448 -1.388 1.00 0.00 H new ATOM 224 N GLU A 15 -4.585 10.783 2.307 1.00 0.00 N ATOM 225 CA GLU A 15 -3.647 11.086 3.425 1.00 0.00 C ATOM 226 C GLU A 15 -2.476 10.102 3.385 1.00 0.00 C ATOM 227 O GLU A 15 -1.328 10.491 3.305 1.00 0.00 O ATOM 228 CB GLU A 15 -4.382 10.948 4.760 1.00 0.00 C ATOM 229 CG GLU A 15 -4.676 12.338 5.331 1.00 0.00 C ATOM 230 CD GLU A 15 -5.792 12.999 4.518 1.00 0.00 C ATOM 231 OE1 GLU A 15 -6.538 12.277 3.876 1.00 0.00 O ATOM 232 OE2 GLU A 15 -5.881 14.214 4.551 1.00 0.00 O ATOM 0 H GLU A 15 -5.521 10.494 2.591 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.273 12.104 3.320 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.312 10.397 4.619 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.776 10.376 5.463 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.972 12.258 6.377 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.776 12.953 5.301 1.00 0.00 H new ATOM 239 N ILE A 16 -2.757 8.829 3.440 1.00 0.00 N ATOM 240 CA ILE A 16 -1.660 7.822 3.403 1.00 0.00 C ATOM 241 C ILE A 16 -0.792 8.058 2.167 1.00 0.00 C ATOM 242 O ILE A 16 0.388 7.769 2.161 1.00 0.00 O ATOM 243 CB ILE A 16 -2.262 6.417 3.338 1.00 0.00 C ATOM 244 CG1 ILE A 16 -3.376 6.294 4.382 1.00 0.00 C ATOM 245 CG2 ILE A 16 -1.172 5.379 3.620 1.00 0.00 C ATOM 246 CD1 ILE A 16 -2.896 6.877 5.712 1.00 0.00 C ATOM 0 H ILE A 16 -3.699 8.443 3.509 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.049 7.918 4.301 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.675 6.242 2.345 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.267 6.822 4.042 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.654 5.248 4.511 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.602 4.378 3.574 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.382 5.470 2.875 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.756 5.549 4.613 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.689 6.789 6.455 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.017 6.330 6.053 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.640 7.928 5.577 1.00 0.00 H new ATOM 258 N GLN A 17 -1.368 8.579 1.119 1.00 0.00 N ATOM 259 CA GLN A 17 -0.577 8.831 -0.117 1.00 0.00 C ATOM 260 C GLN A 17 0.323 10.050 0.096 1.00 0.00 C ATOM 261 O GLN A 17 1.444 10.093 -0.368 1.00 0.00 O ATOM 262 CB GLN A 17 -1.529 9.093 -1.285 1.00 0.00 C ATOM 263 CG GLN A 17 -0.737 9.613 -2.486 1.00 0.00 C ATOM 264 CD GLN A 17 -1.115 8.813 -3.736 1.00 0.00 C ATOM 265 OE1 GLN A 17 -0.342 8.725 -4.669 1.00 0.00 O ATOM 266 NE2 GLN A 17 -2.278 8.224 -3.793 1.00 0.00 N ATOM 0 H GLN A 17 -2.352 8.841 1.066 1.00 0.00 H new ATOM 0 HA GLN A 17 0.039 7.960 -0.341 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.054 8.176 -1.552 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.287 9.820 -0.994 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.947 10.671 -2.642 1.00 0.00 H new ATOM 0 HG3 GLN A 17 0.332 9.525 -2.295 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.926 8.298 -3.009 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.539 7.689 -4.621 1.00 0.00 H new ATOM 275 N LYS A 18 -0.161 11.041 0.795 1.00 0.00 N ATOM 276 CA LYS A 18 0.669 12.253 1.037 1.00 0.00 C ATOM 277 C LYS A 18 1.891 11.872 1.872 1.00 0.00 C ATOM 278 O LYS A 18 2.979 12.371 1.663 1.00 0.00 O ATOM 279 CB LYS A 18 -0.159 13.297 1.790 1.00 0.00 C ATOM 280 CG LYS A 18 -0.562 14.419 0.830 1.00 0.00 C ATOM 281 CD LYS A 18 -1.128 15.596 1.627 1.00 0.00 C ATOM 282 CE LYS A 18 -2.648 15.460 1.729 1.00 0.00 C ATOM 283 NZ LYS A 18 -2.987 14.342 2.653 1.00 0.00 N ATOM 0 H LYS A 18 -1.094 11.063 1.208 1.00 0.00 H new ATOM 0 HA LYS A 18 0.995 12.668 0.083 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.048 12.833 2.217 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.418 13.704 2.620 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.302 14.742 0.249 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.306 14.055 0.121 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.687 15.620 2.623 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.868 16.536 1.141 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.083 16.391 2.093 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.074 15.273 0.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.841 14.585 3.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.160 13.477 2.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.196 14.182 3.309 1.00 0.00 H new ATOM 297 N GLU A 19 1.723 10.986 2.816 1.00 0.00 N ATOM 298 CA GLU A 19 2.877 10.570 3.661 1.00 0.00 C ATOM 299 C GLU A 19 3.822 9.697 2.831 1.00 0.00 C ATOM 300 O GLU A 19 5.025 9.864 2.866 1.00 0.00 O ATOM 301 CB GLU A 19 2.368 9.774 4.865 1.00 0.00 C ATOM 302 CG GLU A 19 1.256 10.559 5.562 1.00 0.00 C ATOM 303 CD GLU A 19 1.161 10.123 7.025 1.00 0.00 C ATOM 304 OE1 GLU A 19 2.172 9.701 7.564 1.00 0.00 O ATOM 305 OE2 GLU A 19 0.080 10.218 7.583 1.00 0.00 O ATOM 0 H GLU A 19 0.837 10.533 3.038 1.00 0.00 H new ATOM 0 HA GLU A 19 3.411 11.453 4.012 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.994 8.803 4.541 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.185 9.584 5.561 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.460 11.628 5.503 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.305 10.387 5.058 1.00 0.00 H new ATOM 312 N GLU A 20 3.286 8.770 2.083 1.00 0.00 N ATOM 313 CA GLU A 20 4.155 7.893 1.250 1.00 0.00 C ATOM 314 C GLU A 20 4.942 8.755 0.261 1.00 0.00 C ATOM 315 O GLU A 20 6.155 8.703 0.207 1.00 0.00 O ATOM 316 CB GLU A 20 3.288 6.894 0.479 1.00 0.00 C ATOM 317 CG GLU A 20 4.087 5.616 0.220 1.00 0.00 C ATOM 318 CD GLU A 20 3.834 4.615 1.348 1.00 0.00 C ATOM 319 OE1 GLU A 20 4.366 4.820 2.427 1.00 0.00 O ATOM 320 OE2 GLU A 20 3.113 3.660 1.116 1.00 0.00 O ATOM 0 H GLU A 20 2.286 8.583 2.014 1.00 0.00 H new ATOM 0 HA GLU A 20 4.847 7.349 1.893 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.388 6.663 1.048 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.965 7.331 -0.466 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.797 5.182 -0.737 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.150 5.847 0.157 1.00 0.00 H new ATOM 327 N THR A 21 4.262 9.548 -0.520 1.00 0.00 N ATOM 328 CA THR A 21 4.971 10.414 -1.502 1.00 0.00 C ATOM 329 C THR A 21 6.131 11.127 -0.804 1.00 0.00 C ATOM 330 O THR A 21 7.274 11.006 -1.196 1.00 0.00 O ATOM 331 CB THR A 21 3.999 11.455 -2.066 1.00 0.00 C ATOM 332 OG1 THR A 21 2.707 10.875 -2.191 1.00 0.00 O ATOM 333 CG2 THR A 21 4.486 11.923 -3.438 1.00 0.00 C ATOM 0 H THR A 21 3.246 9.633 -0.520 1.00 0.00 H new ATOM 0 HA THR A 21 5.355 9.800 -2.316 1.00 0.00 H new ATOM 0 HB THR A 21 3.951 12.310 -1.391 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.233 10.944 -1.336 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.793 12.663 -3.837 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.476 12.368 -3.340 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.537 11.071 -4.116 1.00 0.00 H new ATOM 341 N ARG A 22 5.844 11.869 0.230 1.00 0.00 N ATOM 342 CA ARG A 22 6.929 12.588 0.955 1.00 0.00 C ATOM 343 C ARG A 22 8.062 11.612 1.275 1.00 0.00 C ATOM 344 O ARG A 22 9.226 11.952 1.206 1.00 0.00 O ATOM 345 CB ARG A 22 6.371 13.165 2.259 1.00 0.00 C ATOM 346 CG ARG A 22 6.792 14.629 2.395 1.00 0.00 C ATOM 347 CD ARG A 22 6.074 15.254 3.592 1.00 0.00 C ATOM 348 NE ARG A 22 6.188 14.343 4.767 1.00 0.00 N ATOM 349 CZ ARG A 22 5.901 14.779 5.964 1.00 0.00 C ATOM 350 NH1 ARG A 22 5.518 16.016 6.133 1.00 0.00 N ATOM 351 NH2 ARG A 22 5.998 13.980 6.990 1.00 0.00 N ATOM 0 H ARG A 22 4.905 12.008 0.604 1.00 0.00 H new ATOM 0 HA ARG A 22 7.311 13.396 0.331 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.284 13.087 2.267 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.738 12.590 3.109 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.872 14.698 2.528 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.548 15.175 1.484 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.511 16.225 3.826 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.025 15.426 3.352 1.00 0.00 H new ATOM 0 HE ARG A 22 6.491 13.378 4.636 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.443 16.641 5.330 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.294 16.357 7.068 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.298 13.014 6.858 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.774 14.321 7.925 1.00 0.00 H new ATOM 365 N ASP A 23 7.731 10.398 1.624 1.00 0.00 N ATOM 366 CA ASP A 23 8.790 9.401 1.948 1.00 0.00 C ATOM 367 C ASP A 23 9.603 9.091 0.691 1.00 0.00 C ATOM 368 O ASP A 23 10.813 8.983 0.733 1.00 0.00 O ATOM 369 CB ASP A 23 8.139 8.115 2.462 1.00 0.00 C ATOM 370 CG ASP A 23 9.176 7.285 3.220 1.00 0.00 C ATOM 371 OD1 ASP A 23 10.227 7.824 3.525 1.00 0.00 O ATOM 372 OD2 ASP A 23 8.902 6.126 3.481 1.00 0.00 O ATOM 0 H ASP A 23 6.774 10.054 1.699 1.00 0.00 H new ATOM 0 HA ASP A 23 9.449 9.809 2.715 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.301 8.356 3.117 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.737 7.540 1.628 1.00 0.00 H new ATOM 377 N ILE A 24 8.950 8.947 -0.430 1.00 0.00 N ATOM 378 CA ILE A 24 9.686 8.643 -1.688 1.00 0.00 C ATOM 379 C ILE A 24 10.448 9.888 -2.148 1.00 0.00 C ATOM 380 O ILE A 24 11.662 9.897 -2.204 1.00 0.00 O ATOM 381 CB ILE A 24 8.688 8.223 -2.768 1.00 0.00 C ATOM 382 CG1 ILE A 24 8.019 6.909 -2.354 1.00 0.00 C ATOM 383 CG2 ILE A 24 9.422 8.025 -4.094 1.00 0.00 C ATOM 384 CD1 ILE A 24 6.781 6.667 -3.219 1.00 0.00 C ATOM 0 H ILE A 24 7.938 9.027 -0.528 1.00 0.00 H new ATOM 0 HA ILE A 24 10.394 7.833 -1.512 1.00 0.00 H new ATOM 0 HB ILE A 24 7.931 8.998 -2.887 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.720 6.082 -2.465 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.737 6.949 -1.302 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.710 7.726 -4.863 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.902 8.959 -4.387 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.179 7.249 -3.979 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.307 5.731 -2.922 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.077 7.489 -3.085 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.075 6.608 -4.267 1.00 0.00 H new ATOM 396 N ILE A 25 9.748 10.939 -2.477 1.00 0.00 N ATOM 397 CA ILE A 25 10.438 12.180 -2.930 1.00 0.00 C ATOM 398 C ILE A 25 11.699 12.395 -2.092 1.00 0.00 C ATOM 399 O ILE A 25 12.725 12.816 -2.590 1.00 0.00 O ATOM 400 CB ILE A 25 9.502 13.376 -2.757 1.00 0.00 C ATOM 401 CG1 ILE A 25 8.176 13.095 -3.468 1.00 0.00 C ATOM 402 CG2 ILE A 25 10.150 14.622 -3.364 1.00 0.00 C ATOM 403 CD1 ILE A 25 8.450 12.687 -4.916 1.00 0.00 C ATOM 0 H ILE A 25 8.730 10.992 -2.452 1.00 0.00 H new ATOM 0 HA ILE A 25 10.711 12.082 -3.981 1.00 0.00 H new ATOM 0 HB ILE A 25 9.317 13.541 -1.696 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.635 12.302 -2.952 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.542 13.982 -3.442 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.483 15.475 -3.241 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.094 14.824 -2.859 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.335 14.456 -4.425 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.506 12.487 -5.422 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.973 13.494 -5.429 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.067 11.789 -4.930 1.00 0.00 H new ATOM 415 N GLN A 26 11.633 12.108 -0.820 1.00 0.00 N ATOM 416 CA GLN A 26 12.828 12.294 0.050 1.00 0.00 C ATOM 417 C GLN A 26 13.899 11.271 -0.333 1.00 0.00 C ATOM 418 O GLN A 26 15.024 11.618 -0.635 1.00 0.00 O ATOM 419 CB GLN A 26 12.430 12.089 1.513 1.00 0.00 C ATOM 420 CG GLN A 26 11.603 13.285 1.990 1.00 0.00 C ATOM 421 CD GLN A 26 12.534 14.456 2.307 1.00 0.00 C ATOM 422 OE1 GLN A 26 12.750 15.317 1.477 1.00 0.00 O ATOM 423 NE2 GLN A 26 13.099 14.526 3.482 1.00 0.00 N ATOM 0 H GLN A 26 10.803 11.753 -0.346 1.00 0.00 H new ATOM 0 HA GLN A 26 13.221 13.302 -0.082 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.854 11.170 1.619 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.321 11.980 2.131 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.886 13.574 1.222 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.029 13.013 2.876 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.918 13.804 4.179 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.721 15.303 3.703 1.00 0.00 H new ATOM 432 N ALA A 27 13.557 10.013 -0.325 1.00 0.00 N ATOM 433 CA ALA A 27 14.553 8.965 -0.689 1.00 0.00 C ATOM 434 C ALA A 27 15.184 9.308 -2.041 1.00 0.00 C ATOM 435 O ALA A 27 16.389 9.288 -2.196 1.00 0.00 O ATOM 436 CB ALA A 27 13.852 7.609 -0.781 1.00 0.00 C ATOM 0 H ALA A 27 12.630 9.664 -0.082 1.00 0.00 H new ATOM 0 HA ALA A 27 15.331 8.921 0.073 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.578 6.841 -1.047 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.403 7.366 0.182 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.074 7.652 -1.543 1.00 0.00 H new ATOM 442 N LEU A 28 14.382 9.622 -3.021 1.00 0.00 N ATOM 443 CA LEU A 28 14.939 9.968 -4.359 1.00 0.00 C ATOM 444 C LEU A 28 15.944 11.110 -4.207 1.00 0.00 C ATOM 445 O LEU A 28 17.081 11.010 -4.625 1.00 0.00 O ATOM 446 CB LEU A 28 13.806 10.409 -5.288 1.00 0.00 C ATOM 447 CG LEU A 28 13.185 9.184 -5.959 1.00 0.00 C ATOM 448 CD1 LEU A 28 11.877 9.585 -6.644 1.00 0.00 C ATOM 449 CD2 LEU A 28 14.156 8.627 -7.004 1.00 0.00 C ATOM 0 H LEU A 28 13.365 9.654 -2.953 1.00 0.00 H new ATOM 0 HA LEU A 28 15.436 9.095 -4.783 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.047 10.949 -4.722 1.00 0.00 H new ATOM 0 HB3 LEU A 28 14.188 11.095 -6.044 1.00 0.00 H new ATOM 0 HG LEU A 28 12.983 8.422 -5.206 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.434 8.711 -7.123 1.00 0.00 H new ATOM 0 HD12 LEU A 28 11.185 9.982 -5.902 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.079 10.347 -7.396 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.714 7.753 -7.483 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.358 9.390 -7.756 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.089 8.341 -6.518 1.00 0.00 H new ATOM 461 N LEU A 29 15.533 12.195 -3.612 1.00 0.00 N ATOM 462 CA LEU A 29 16.463 13.344 -3.432 1.00 0.00 C ATOM 463 C LEU A 29 17.691 12.890 -2.642 1.00 0.00 C ATOM 464 O LEU A 29 18.725 13.528 -2.660 1.00 0.00 O ATOM 465 CB LEU A 29 15.747 14.462 -2.670 1.00 0.00 C ATOM 466 CG LEU A 29 15.164 15.465 -3.667 1.00 0.00 C ATOM 467 CD1 LEU A 29 14.027 14.807 -4.454 1.00 0.00 C ATOM 468 CD2 LEU A 29 14.624 16.681 -2.909 1.00 0.00 C ATOM 0 H LEU A 29 14.593 12.336 -3.242 1.00 0.00 H new ATOM 0 HA LEU A 29 16.779 13.713 -4.408 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.953 14.044 -2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 29 16.444 14.963 -1.999 1.00 0.00 H new ATOM 0 HG LEU A 29 15.944 15.783 -4.359 1.00 0.00 H new ATOM 0 HD11 LEU A 29 13.613 15.524 -5.164 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.412 13.942 -4.994 1.00 0.00 H new ATOM 0 HD13 LEU A 29 13.246 14.486 -3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.208 17.397 -3.618 1.00 0.00 H new ATOM 0 HD22 LEU A 29 13.845 16.362 -2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.434 17.151 -2.352 1.00 0.00 H new ATOM 480 N GLU A 30 17.589 11.789 -1.947 1.00 0.00 N ATOM 481 CA GLU A 30 18.751 11.294 -1.156 1.00 0.00 C ATOM 482 C GLU A 30 19.709 10.532 -2.074 1.00 0.00 C ATOM 483 O GLU A 30 20.905 10.521 -1.863 1.00 0.00 O ATOM 484 CB GLU A 30 18.256 10.360 -0.050 1.00 0.00 C ATOM 485 CG GLU A 30 19.281 10.324 1.087 1.00 0.00 C ATOM 486 CD GLU A 30 18.630 9.741 2.343 1.00 0.00 C ATOM 487 OE1 GLU A 30 17.465 10.023 2.567 1.00 0.00 O ATOM 488 OE2 GLU A 30 19.310 9.025 3.060 1.00 0.00 O ATOM 0 H GLU A 30 16.750 11.211 -1.893 1.00 0.00 H new ATOM 0 HA GLU A 30 19.272 12.142 -0.711 1.00 0.00 H new ATOM 0 HB2 GLU A 30 17.292 10.703 0.326 1.00 0.00 H new ATOM 0 HB3 GLU A 30 18.104 9.357 -0.448 1.00 0.00 H new ATOM 0 HG2 GLU A 30 20.141 9.720 0.797 1.00 0.00 H new ATOM 0 HG3 GLU A 30 19.651 11.329 1.289 1.00 0.00 H new ATOM 495 N ASP A 31 19.195 9.888 -3.087 1.00 0.00 N ATOM 496 CA ASP A 31 20.083 9.123 -4.009 1.00 0.00 C ATOM 497 C ASP A 31 19.562 9.241 -5.443 1.00 0.00 C ATOM 498 O ASP A 31 19.737 8.349 -6.250 1.00 0.00 O ATOM 499 CB ASP A 31 20.096 7.650 -3.597 1.00 0.00 C ATOM 500 CG ASP A 31 21.132 7.433 -2.492 1.00 0.00 C ATOM 501 OD1 ASP A 31 21.613 8.418 -1.956 1.00 0.00 O ATOM 502 OD2 ASP A 31 21.427 6.286 -2.201 1.00 0.00 O ATOM 0 H ASP A 31 18.201 9.858 -3.316 1.00 0.00 H new ATOM 0 HA ASP A 31 21.093 9.529 -3.955 1.00 0.00 H new ATOM 0 HB2 ASP A 31 19.108 7.352 -3.246 1.00 0.00 H new ATOM 0 HB3 ASP A 31 20.331 7.024 -4.458 1.00 0.00 H new ATOM 507 N GLY A 32 18.923 10.329 -5.771 1.00 0.00 N ATOM 508 CA GLY A 32 18.395 10.490 -7.156 1.00 0.00 C ATOM 509 C GLY A 32 17.837 11.903 -7.335 1.00 0.00 C ATOM 510 O GLY A 32 16.824 12.104 -7.976 1.00 0.00 O ATOM 0 H GLY A 32 18.743 11.112 -5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 32 19.188 10.307 -7.881 1.00 0.00 H new ATOM 0 HA3 GLY A 32 17.614 9.754 -7.346 1.00 0.00 H new ATOM 514 N SER A 33 18.489 12.884 -6.774 1.00 0.00 N ATOM 515 CA SER A 33 17.994 14.283 -6.916 1.00 0.00 C ATOM 516 C SER A 33 17.908 14.646 -8.400 1.00 0.00 C ATOM 517 O SER A 33 17.217 14.006 -9.167 1.00 0.00 O ATOM 518 CB SER A 33 18.955 15.242 -6.211 1.00 0.00 C ATOM 519 OG SER A 33 18.974 14.949 -4.820 1.00 0.00 O ATOM 0 H SER A 33 19.342 12.778 -6.224 1.00 0.00 H new ATOM 0 HA SER A 33 17.006 14.364 -6.464 1.00 0.00 H new ATOM 0 HB2 SER A 33 19.957 15.144 -6.629 1.00 0.00 H new ATOM 0 HB3 SER A 33 18.642 16.273 -6.373 1.00 0.00 H new ATOM 0 HG SER A 33 19.000 13.978 -4.691 1.00 0.00 H new ATOM 525 N ASP A 34 18.604 15.671 -8.809 1.00 0.00 N ATOM 526 CA ASP A 34 18.561 16.075 -10.243 1.00 0.00 C ATOM 527 C ASP A 34 17.108 16.278 -10.674 1.00 0.00 C ATOM 528 O ASP A 34 16.677 15.771 -11.690 1.00 0.00 O ATOM 529 CB ASP A 34 19.194 14.978 -11.101 1.00 0.00 C ATOM 530 CG ASP A 34 20.718 15.107 -11.051 1.00 0.00 C ATOM 531 OD1 ASP A 34 21.255 15.860 -11.847 1.00 0.00 O ATOM 532 OD2 ASP A 34 21.321 14.450 -10.219 1.00 0.00 O ATOM 0 H ASP A 34 19.200 16.246 -8.213 1.00 0.00 H new ATOM 0 HA ASP A 34 19.113 17.006 -10.373 1.00 0.00 H new ATOM 0 HB2 ASP A 34 18.889 13.996 -10.738 1.00 0.00 H new ATOM 0 HB3 ASP A 34 18.845 15.060 -12.130 1.00 0.00 H new ATOM 537 N PRO A 35 16.358 17.019 -9.903 1.00 0.00 N ATOM 538 CA PRO A 35 14.924 17.301 -10.202 1.00 0.00 C ATOM 539 C PRO A 35 14.760 18.230 -11.409 1.00 0.00 C ATOM 540 O PRO A 35 13.659 18.530 -11.828 1.00 0.00 O ATOM 541 CB PRO A 35 14.410 17.981 -8.931 1.00 0.00 C ATOM 542 CG PRO A 35 15.619 18.565 -8.278 1.00 0.00 C ATOM 543 CD PRO A 35 16.797 17.669 -8.658 1.00 0.00 C ATOM 0 HA PRO A 35 14.378 16.393 -10.458 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.679 18.754 -9.167 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.916 17.265 -8.274 1.00 0.00 H new ATOM 0 HG2 PRO A 35 15.786 19.588 -8.616 1.00 0.00 H new ATOM 0 HG3 PRO A 35 15.495 18.603 -7.196 1.00 0.00 H new ATOM 0 HD2 PRO A 35 17.708 18.249 -8.809 1.00 0.00 H new ATOM 0 HD3 PRO A 35 17.010 16.937 -7.879 1.00 0.00 H new ATOM 551 N ASP A 36 15.845 18.687 -11.971 1.00 0.00 N ATOM 552 CA ASP A 36 15.749 19.593 -13.150 1.00 0.00 C ATOM 553 C ASP A 36 15.704 18.757 -14.431 1.00 0.00 C ATOM 554 O ASP A 36 15.318 19.232 -15.481 1.00 0.00 O ATOM 555 CB ASP A 36 16.967 20.519 -13.185 1.00 0.00 C ATOM 556 CG ASP A 36 17.299 20.981 -11.764 1.00 0.00 C ATOM 557 OD1 ASP A 36 16.692 20.468 -10.839 1.00 0.00 O ATOM 558 OD2 ASP A 36 18.154 21.840 -11.627 1.00 0.00 O ATOM 0 H ASP A 36 16.794 18.472 -11.665 1.00 0.00 H new ATOM 0 HA ASP A 36 14.842 20.193 -13.075 1.00 0.00 H new ATOM 0 HB2 ASP A 36 17.821 19.998 -13.618 1.00 0.00 H new ATOM 0 HB3 ASP A 36 16.764 21.381 -13.821 1.00 0.00 H new ATOM 563 N ALA A 37 16.094 17.514 -14.353 1.00 0.00 N ATOM 564 CA ALA A 37 16.072 16.647 -15.565 1.00 0.00 C ATOM 565 C ALA A 37 14.623 16.328 -15.933 1.00 0.00 C ATOM 566 O ALA A 37 14.025 16.983 -16.765 1.00 0.00 O ATOM 567 CB ALA A 37 16.822 15.345 -15.277 1.00 0.00 C ATOM 0 H ALA A 37 16.427 17.061 -13.502 1.00 0.00 H new ATOM 0 HA ALA A 37 16.554 17.167 -16.393 1.00 0.00 H new ATOM 0 HB1 ALA A 37 16.805 14.712 -16.164 1.00 0.00 H new ATOM 0 HB2 ALA A 37 17.855 15.571 -15.012 1.00 0.00 H new ATOM 0 HB3 ALA A 37 16.341 14.823 -14.450 1.00 0.00 H new ATOM 573 N LEU A 38 14.051 15.328 -15.320 1.00 0.00 N ATOM 574 CA LEU A 38 12.640 14.971 -15.635 1.00 0.00 C ATOM 575 C LEU A 38 12.301 13.622 -14.999 1.00 0.00 C ATOM 576 O LEU A 38 13.154 12.774 -14.827 1.00 0.00 O ATOM 577 CB LEU A 38 12.463 14.879 -17.153 1.00 0.00 C ATOM 578 CG LEU A 38 11.557 16.014 -17.632 1.00 0.00 C ATOM 579 CD1 LEU A 38 11.710 16.189 -19.143 1.00 0.00 C ATOM 580 CD2 LEU A 38 10.102 15.674 -17.303 1.00 0.00 C ATOM 0 H LEU A 38 14.500 14.743 -14.615 1.00 0.00 H new ATOM 0 HA LEU A 38 11.974 15.737 -15.238 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.433 14.941 -17.647 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.029 13.916 -17.421 1.00 0.00 H new ATOM 0 HG LEU A 38 11.839 16.940 -17.131 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.064 16.998 -19.483 1.00 0.00 H new ATOM 0 HD12 LEU A 38 12.747 16.429 -19.378 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.429 15.264 -19.647 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.454 16.481 -17.643 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.822 14.748 -17.805 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.992 15.550 -16.226 1.00 0.00 H new ATOM 592 N TYR A 39 11.061 13.417 -14.649 1.00 0.00 N ATOM 593 CA TYR A 39 10.667 12.123 -14.024 1.00 0.00 C ATOM 594 C TYR A 39 9.330 11.661 -14.608 1.00 0.00 C ATOM 595 O TYR A 39 8.563 12.449 -15.123 1.00 0.00 O ATOM 596 CB TYR A 39 10.524 12.311 -12.512 1.00 0.00 C ATOM 597 CG TYR A 39 11.862 12.101 -11.846 1.00 0.00 C ATOM 598 CD1 TYR A 39 12.824 13.119 -11.872 1.00 0.00 C ATOM 599 CD2 TYR A 39 12.142 10.892 -11.201 1.00 0.00 C ATOM 600 CE1 TYR A 39 14.065 12.926 -11.252 1.00 0.00 C ATOM 601 CE2 TYR A 39 13.383 10.698 -10.581 1.00 0.00 C ATOM 602 CZ TYR A 39 14.345 11.715 -10.607 1.00 0.00 C ATOM 603 OH TYR A 39 15.568 11.524 -9.996 1.00 0.00 O ATOM 0 H TYR A 39 10.304 14.090 -14.769 1.00 0.00 H new ATOM 0 HA TYR A 39 11.431 11.373 -14.227 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.151 13.312 -12.294 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.794 11.605 -12.115 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.609 14.053 -12.370 1.00 0.00 H new ATOM 0 HD2 TYR A 39 11.400 10.107 -11.181 1.00 0.00 H new ATOM 0 HE1 TYR A 39 14.806 13.711 -11.271 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.598 9.764 -10.083 1.00 0.00 H new ATOM 0 HH TYR A 39 15.594 12.023 -9.153 1.00 0.00 H new ATOM 613 N GLU A 40 9.045 10.389 -14.530 1.00 0.00 N ATOM 614 CA GLU A 40 7.757 9.881 -15.079 1.00 0.00 C ATOM 615 C GLU A 40 6.942 9.238 -13.955 1.00 0.00 C ATOM 616 O GLU A 40 7.340 8.246 -13.377 1.00 0.00 O ATOM 617 CB GLU A 40 8.040 8.840 -16.164 1.00 0.00 C ATOM 618 CG GLU A 40 9.264 9.267 -16.977 1.00 0.00 C ATOM 619 CD GLU A 40 10.525 8.613 -16.404 1.00 0.00 C ATOM 620 OE1 GLU A 40 10.396 7.588 -15.753 1.00 0.00 O ATOM 621 OE2 GLU A 40 11.598 9.147 -16.626 1.00 0.00 O ATOM 0 H GLU A 40 9.648 9.681 -14.110 1.00 0.00 H new ATOM 0 HA GLU A 40 7.193 10.709 -15.509 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.215 7.865 -15.710 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.174 8.737 -16.818 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.137 8.979 -18.021 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.365 10.352 -16.956 1.00 0.00 H new ATOM 628 N ILE A 41 5.804 9.794 -13.643 1.00 0.00 N ATOM 629 CA ILE A 41 4.966 9.211 -12.558 1.00 0.00 C ATOM 630 C ILE A 41 4.086 8.104 -13.138 1.00 0.00 C ATOM 631 O ILE A 41 3.515 8.245 -14.203 1.00 0.00 O ATOM 632 CB ILE A 41 4.082 10.304 -11.955 1.00 0.00 C ATOM 633 CG1 ILE A 41 4.965 11.368 -11.298 1.00 0.00 C ATOM 634 CG2 ILE A 41 3.157 9.689 -10.904 1.00 0.00 C ATOM 635 CD1 ILE A 41 5.793 12.078 -12.371 1.00 0.00 C ATOM 0 H ILE A 41 5.419 10.625 -14.091 1.00 0.00 H new ATOM 0 HA ILE A 41 5.609 8.796 -11.782 1.00 0.00 H new ATOM 0 HB ILE A 41 3.483 10.763 -12.742 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.347 12.090 -10.764 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.623 10.906 -10.562 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.527 10.467 -10.474 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.529 8.930 -11.371 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.755 9.230 -10.117 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.422 12.836 -11.903 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.422 11.351 -12.885 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.126 12.554 -13.090 1.00 0.00 H new ATOM 647 N GLU A 42 3.971 7.000 -12.452 1.00 0.00 N ATOM 648 CA GLU A 42 3.130 5.885 -12.971 1.00 0.00 C ATOM 649 C GLU A 42 1.917 5.685 -12.060 1.00 0.00 C ATOM 650 O GLU A 42 2.047 5.514 -10.864 1.00 0.00 O ATOM 651 CB GLU A 42 3.958 4.599 -13.007 1.00 0.00 C ATOM 652 CG GLU A 42 5.399 4.929 -13.398 1.00 0.00 C ATOM 653 CD GLU A 42 6.149 3.638 -13.728 1.00 0.00 C ATOM 654 OE1 GLU A 42 5.984 3.147 -14.832 1.00 0.00 O ATOM 655 OE2 GLU A 42 6.874 3.162 -12.870 1.00 0.00 O ATOM 0 H GLU A 42 4.423 6.822 -11.555 1.00 0.00 H new ATOM 0 HA GLU A 42 2.788 6.129 -13.977 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.937 4.113 -12.031 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.528 3.897 -13.722 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.409 5.598 -14.259 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.897 5.453 -12.582 1.00 0.00 H new ATOM 662 N HIS A 43 0.737 5.699 -12.619 1.00 0.00 N ATOM 663 CA HIS A 43 -0.487 5.505 -11.792 1.00 0.00 C ATOM 664 C HIS A 43 -1.201 4.231 -12.247 1.00 0.00 C ATOM 665 O HIS A 43 -1.442 4.029 -13.420 1.00 0.00 O ATOM 666 CB HIS A 43 -1.419 6.706 -11.967 1.00 0.00 C ATOM 667 CG HIS A 43 -0.824 7.905 -11.283 1.00 0.00 C ATOM 668 ND1 HIS A 43 -0.441 7.884 -9.949 1.00 0.00 N ATOM 669 CD2 HIS A 43 -0.539 9.171 -11.735 1.00 0.00 C ATOM 670 CE1 HIS A 43 0.048 9.100 -9.647 1.00 0.00 C ATOM 671 NE2 HIS A 43 0.010 9.919 -10.699 1.00 0.00 N ATOM 0 H HIS A 43 0.568 5.837 -13.615 1.00 0.00 H new ATOM 0 HA HIS A 43 -0.211 5.416 -10.741 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.566 6.914 -13.027 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -2.400 6.483 -11.547 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.714 9.529 -12.739 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.425 9.379 -8.674 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.319 10.890 -10.736 1.00 0.00 H new ATOM 679 N HIS A 44 -1.535 3.364 -11.330 1.00 0.00 N ATOM 680 CA HIS A 44 -2.224 2.102 -11.719 1.00 0.00 C ATOM 681 C HIS A 44 -3.684 2.141 -11.259 1.00 0.00 C ATOM 682 O HIS A 44 -3.983 2.504 -10.139 1.00 0.00 O ATOM 683 CB HIS A 44 -1.514 0.916 -11.064 1.00 0.00 C ATOM 684 CG HIS A 44 -0.029 1.057 -11.261 1.00 0.00 C ATOM 685 ND1 HIS A 44 0.805 1.552 -10.268 1.00 0.00 N ATOM 686 CD2 HIS A 44 0.786 0.781 -12.332 1.00 0.00 C ATOM 687 CE1 HIS A 44 2.059 1.559 -10.756 1.00 0.00 C ATOM 688 NE2 HIS A 44 2.100 1.098 -12.008 1.00 0.00 N ATOM 0 H HIS A 44 -1.361 3.475 -10.331 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.195 1.995 -12.803 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -1.750 0.878 -10.000 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.864 -0.019 -11.501 1.00 0.00 H new ATOM 0 HD1 HIS A 44 0.519 1.855 -9.337 1.00 0.00 H new ATOM 0 HD2 HIS A 44 0.457 0.380 -13.279 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.924 1.895 -10.204 1.00 0.00 H new ATOM 696 N LEU A 45 -4.591 1.767 -12.118 1.00 0.00 N ATOM 697 CA LEU A 45 -6.032 1.777 -11.738 1.00 0.00 C ATOM 698 C LEU A 45 -6.698 0.498 -12.251 1.00 0.00 C ATOM 699 O LEU A 45 -6.388 0.013 -13.323 1.00 0.00 O ATOM 700 CB LEU A 45 -6.714 2.997 -12.361 1.00 0.00 C ATOM 701 CG LEU A 45 -6.261 4.264 -11.635 1.00 0.00 C ATOM 702 CD1 LEU A 45 -5.000 4.814 -12.305 1.00 0.00 C ATOM 703 CD2 LEU A 45 -7.372 5.314 -11.704 1.00 0.00 C ATOM 0 H LEU A 45 -4.396 1.454 -13.069 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.126 1.826 -10.653 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.465 3.064 -13.420 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.797 2.895 -12.294 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.045 4.028 -10.593 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.677 5.717 -11.787 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.208 4.067 -12.259 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.215 5.050 -13.347 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.051 6.218 -11.187 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.586 5.549 -12.747 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.271 4.924 -11.228 1.00 0.00 H new ATOM 715 N PHE A 46 -7.609 -0.053 -11.498 1.00 0.00 N ATOM 716 CA PHE A 46 -8.288 -1.302 -11.947 1.00 0.00 C ATOM 717 C PHE A 46 -9.791 -1.052 -12.078 1.00 0.00 C ATOM 718 O PHE A 46 -10.335 -0.143 -11.482 1.00 0.00 O ATOM 719 CB PHE A 46 -8.041 -2.415 -10.925 1.00 0.00 C ATOM 720 CG PHE A 46 -7.205 -1.878 -9.787 1.00 0.00 C ATOM 721 CD1 PHE A 46 -5.912 -1.403 -10.035 1.00 0.00 C ATOM 722 CD2 PHE A 46 -7.723 -1.858 -8.488 1.00 0.00 C ATOM 723 CE1 PHE A 46 -5.137 -0.905 -8.981 1.00 0.00 C ATOM 724 CE2 PHE A 46 -6.947 -1.361 -7.434 1.00 0.00 C ATOM 725 CZ PHE A 46 -5.654 -0.884 -7.681 1.00 0.00 C ATOM 0 H PHE A 46 -7.913 0.306 -10.593 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.887 -1.603 -12.915 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -8.991 -2.792 -10.546 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -7.532 -3.253 -11.400 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.513 -1.421 -11.038 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -8.721 -2.226 -8.298 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.140 -0.537 -9.171 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -7.346 -1.346 -6.430 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.056 -0.500 -6.868 1.00 0.00 H new ATOM 735 N ALA A 47 -10.466 -1.852 -12.859 1.00 0.00 N ATOM 736 CA ALA A 47 -11.933 -1.663 -13.032 1.00 0.00 C ATOM 737 C ALA A 47 -12.628 -3.026 -13.031 1.00 0.00 C ATOM 738 O ALA A 47 -11.989 -4.060 -13.014 1.00 0.00 O ATOM 739 CB ALA A 47 -12.201 -0.957 -14.362 1.00 0.00 C ATOM 0 H ALA A 47 -10.064 -2.628 -13.384 1.00 0.00 H new ATOM 0 HA ALA A 47 -12.320 -1.058 -12.212 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.274 -0.818 -14.490 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.706 0.014 -14.364 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -11.813 -1.564 -15.180 1.00 0.00 H new ATOM 745 N GLU A 48 -13.933 -3.036 -13.047 1.00 0.00 N ATOM 746 CA GLU A 48 -14.669 -4.330 -13.046 1.00 0.00 C ATOM 747 C GLU A 48 -15.332 -4.544 -14.408 1.00 0.00 C ATOM 748 O GLU A 48 -15.527 -5.660 -14.846 1.00 0.00 O ATOM 749 CB GLU A 48 -15.743 -4.305 -11.956 1.00 0.00 C ATOM 750 CG GLU A 48 -15.074 -4.231 -10.581 1.00 0.00 C ATOM 751 CD GLU A 48 -16.082 -4.626 -9.500 1.00 0.00 C ATOM 752 OE1 GLU A 48 -16.350 -5.809 -9.372 1.00 0.00 O ATOM 753 OE2 GLU A 48 -16.570 -3.738 -8.820 1.00 0.00 O ATOM 0 H GLU A 48 -14.521 -2.203 -13.061 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.970 -5.143 -12.851 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -16.401 -3.448 -12.099 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -16.364 -5.198 -12.022 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -14.211 -4.896 -10.549 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.706 -3.222 -10.398 1.00 0.00 H new ATOM 760 N ASP A 49 -15.680 -3.482 -15.083 1.00 0.00 N ATOM 761 CA ASP A 49 -16.332 -3.627 -16.415 1.00 0.00 C ATOM 762 C ASP A 49 -15.461 -2.968 -17.487 1.00 0.00 C ATOM 763 O ASP A 49 -14.984 -1.862 -17.321 1.00 0.00 O ATOM 764 CB ASP A 49 -17.705 -2.953 -16.387 1.00 0.00 C ATOM 765 CG ASP A 49 -18.612 -3.597 -17.438 1.00 0.00 C ATOM 766 OD1 ASP A 49 -18.089 -4.091 -18.422 1.00 0.00 O ATOM 767 OD2 ASP A 49 -19.816 -3.584 -17.239 1.00 0.00 O ATOM 0 H ASP A 49 -15.541 -2.521 -14.770 1.00 0.00 H new ATOM 0 HA ASP A 49 -16.451 -4.685 -16.646 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -18.150 -3.052 -15.397 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -17.602 -1.886 -16.585 1.00 0.00 H new ATOM 772 N PHE A 50 -15.252 -3.638 -18.587 1.00 0.00 N ATOM 773 CA PHE A 50 -14.415 -3.053 -19.672 1.00 0.00 C ATOM 774 C PHE A 50 -15.055 -1.754 -20.165 1.00 0.00 C ATOM 775 O PHE A 50 -14.391 -0.883 -20.693 1.00 0.00 O ATOM 776 CB PHE A 50 -14.323 -4.046 -20.832 1.00 0.00 C ATOM 777 CG PHE A 50 -15.668 -4.144 -21.513 1.00 0.00 C ATOM 778 CD1 PHE A 50 -16.003 -3.242 -22.531 1.00 0.00 C ATOM 779 CD2 PHE A 50 -16.579 -5.132 -21.126 1.00 0.00 C ATOM 780 CE1 PHE A 50 -17.250 -3.331 -23.162 1.00 0.00 C ATOM 781 CE2 PHE A 50 -17.826 -5.221 -21.755 1.00 0.00 C ATOM 782 CZ PHE A 50 -18.162 -4.319 -22.774 1.00 0.00 C ATOM 0 H PHE A 50 -15.626 -4.567 -18.781 1.00 0.00 H new ATOM 0 HA PHE A 50 -13.416 -2.844 -19.289 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -13.565 -3.721 -21.544 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -14.017 -5.025 -20.464 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -15.300 -2.478 -22.829 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -16.320 -5.827 -20.341 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -17.508 -2.637 -23.948 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -18.529 -5.984 -21.455 1.00 0.00 H new ATOM 0 HZ PHE A 50 -19.124 -4.386 -23.260 1.00 0.00 H new ATOM 792 N ASP A 51 -16.342 -1.618 -20.001 1.00 0.00 N ATOM 793 CA ASP A 51 -17.028 -0.378 -20.464 1.00 0.00 C ATOM 794 C ASP A 51 -16.434 0.836 -19.746 1.00 0.00 C ATOM 795 O ASP A 51 -15.694 1.610 -20.323 1.00 0.00 O ATOM 796 CB ASP A 51 -18.521 -0.474 -20.145 1.00 0.00 C ATOM 797 CG ASP A 51 -19.322 0.255 -21.225 1.00 0.00 C ATOM 798 OD1 ASP A 51 -19.538 -0.331 -22.272 1.00 0.00 O ATOM 799 OD2 ASP A 51 -19.706 1.389 -20.986 1.00 0.00 O ATOM 0 H ASP A 51 -16.949 -2.313 -19.566 1.00 0.00 H new ATOM 0 HA ASP A 51 -16.889 -0.268 -21.539 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -18.826 -1.519 -20.094 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -18.724 -0.035 -19.168 1.00 0.00 H new ATOM 804 N LYS A 52 -16.753 1.011 -18.493 1.00 0.00 N ATOM 805 CA LYS A 52 -16.209 2.178 -17.743 1.00 0.00 C ATOM 806 C LYS A 52 -14.680 2.158 -17.799 1.00 0.00 C ATOM 807 O LYS A 52 -14.033 3.180 -17.683 1.00 0.00 O ATOM 808 CB LYS A 52 -16.668 2.108 -16.285 1.00 0.00 C ATOM 809 CG LYS A 52 -15.845 1.057 -15.539 1.00 0.00 C ATOM 810 CD LYS A 52 -16.482 0.784 -14.174 1.00 0.00 C ATOM 811 CE LYS A 52 -16.241 -0.675 -13.782 1.00 0.00 C ATOM 812 NZ LYS A 52 -16.686 -0.893 -12.377 1.00 0.00 N ATOM 0 H LYS A 52 -17.366 0.397 -17.957 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.575 3.100 -18.195 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.551 3.082 -15.809 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -17.727 1.856 -16.238 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.798 0.136 -16.121 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -14.820 1.406 -15.411 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -16.056 1.449 -13.422 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -17.552 0.990 -14.212 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -16.786 -1.338 -14.454 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -15.183 -0.919 -13.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -16.168 -1.698 -11.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -16.495 -0.039 -11.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -17.706 -1.095 -12.363 1.00 0.00 H new ATOM 826 N LEU A 53 -14.095 1.005 -17.979 1.00 0.00 N ATOM 827 CA LEU A 53 -12.608 0.928 -18.041 1.00 0.00 C ATOM 828 C LEU A 53 -12.112 1.700 -19.266 1.00 0.00 C ATOM 829 O LEU A 53 -11.276 2.576 -19.162 1.00 0.00 O ATOM 830 CB LEU A 53 -12.173 -0.537 -18.148 1.00 0.00 C ATOM 831 CG LEU A 53 -10.756 -0.693 -17.593 1.00 0.00 C ATOM 832 CD1 LEU A 53 -10.474 -2.171 -17.321 1.00 0.00 C ATOM 833 CD2 LEU A 53 -9.747 -0.160 -18.613 1.00 0.00 C ATOM 0 H LEU A 53 -14.582 0.115 -18.086 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.183 1.365 -17.137 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -12.863 -1.173 -17.594 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -12.205 -0.861 -19.188 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.666 -0.130 -16.664 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.464 -2.282 -16.926 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.192 -2.551 -16.594 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.564 -2.735 -18.249 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.737 -0.271 -18.218 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.837 -0.723 -19.542 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.947 0.894 -18.806 1.00 0.00 H new ATOM 845 N GLU A 54 -12.620 1.386 -20.425 1.00 0.00 N ATOM 846 CA GLU A 54 -12.179 2.107 -21.651 1.00 0.00 C ATOM 847 C GLU A 54 -12.573 3.580 -21.537 1.00 0.00 C ATOM 848 O GLU A 54 -11.935 4.451 -22.095 1.00 0.00 O ATOM 849 CB GLU A 54 -12.855 1.491 -22.877 1.00 0.00 C ATOM 850 CG GLU A 54 -12.047 0.282 -23.353 1.00 0.00 C ATOM 851 CD GLU A 54 -10.682 0.748 -23.864 1.00 0.00 C ATOM 852 OE1 GLU A 54 -10.623 1.231 -24.982 1.00 0.00 O ATOM 853 OE2 GLU A 54 -9.718 0.612 -23.127 1.00 0.00 O ATOM 0 H GLU A 54 -13.322 0.661 -20.576 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.097 2.024 -21.756 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -13.872 1.187 -22.630 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.928 2.230 -23.675 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.918 -0.427 -22.535 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.585 -0.239 -24.145 1.00 0.00 H new ATOM 860 N LYS A 55 -13.622 3.866 -20.813 1.00 0.00 N ATOM 861 CA LYS A 55 -14.058 5.281 -20.657 1.00 0.00 C ATOM 862 C LYS A 55 -13.017 6.044 -19.837 1.00 0.00 C ATOM 863 O LYS A 55 -12.333 6.914 -20.339 1.00 0.00 O ATOM 864 CB LYS A 55 -15.407 5.321 -19.936 1.00 0.00 C ATOM 865 CG LYS A 55 -16.463 4.613 -20.788 1.00 0.00 C ATOM 866 CD LYS A 55 -17.205 5.642 -21.643 1.00 0.00 C ATOM 867 CE LYS A 55 -18.422 4.982 -22.294 1.00 0.00 C ATOM 868 NZ LYS A 55 -19.275 6.026 -22.928 1.00 0.00 N ATOM 0 H LYS A 55 -14.195 3.179 -20.323 1.00 0.00 H new ATOM 0 HA LYS A 55 -14.158 5.744 -21.639 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -15.326 4.837 -18.963 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -15.704 6.354 -19.754 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -15.990 3.868 -21.427 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -17.167 4.082 -20.147 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -17.521 6.483 -21.026 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -16.541 6.041 -22.410 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -18.099 4.258 -23.042 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -18.995 4.434 -21.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -20.102 5.577 -23.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -19.594 6.701 -22.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -18.726 6.530 -23.653 1.00 0.00 H new ATOM 882 N ALA A 56 -12.887 5.721 -18.578 1.00 0.00 N ATOM 883 CA ALA A 56 -11.886 6.427 -17.730 1.00 0.00 C ATOM 884 C ALA A 56 -10.542 6.462 -18.458 1.00 0.00 C ATOM 885 O ALA A 56 -9.906 7.492 -18.556 1.00 0.00 O ATOM 886 CB ALA A 56 -11.729 5.685 -16.401 1.00 0.00 C ATOM 0 H ALA A 56 -13.430 5.000 -18.102 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.223 7.446 -17.538 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.997 6.201 -15.780 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.688 5.658 -15.884 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.390 4.667 -16.591 1.00 0.00 H new ATOM 892 N ALA A 57 -10.106 5.344 -18.973 1.00 0.00 N ATOM 893 CA ALA A 57 -8.806 5.317 -19.697 1.00 0.00 C ATOM 894 C ALA A 57 -8.811 6.394 -20.782 1.00 0.00 C ATOM 895 O ALA A 57 -8.022 7.317 -20.759 1.00 0.00 O ATOM 896 CB ALA A 57 -8.606 3.943 -20.341 1.00 0.00 C ATOM 0 H ALA A 57 -10.594 4.450 -18.923 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.994 5.508 -18.996 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.654 3.925 -20.871 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.606 3.175 -19.567 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -9.416 3.749 -21.044 1.00 0.00 H new ATOM 902 N VAL A 58 -9.700 6.286 -21.733 1.00 0.00 N ATOM 903 CA VAL A 58 -9.759 7.306 -22.815 1.00 0.00 C ATOM 904 C VAL A 58 -9.771 8.701 -22.190 1.00 0.00 C ATOM 905 O VAL A 58 -9.185 9.631 -22.708 1.00 0.00 O ATOM 906 CB VAL A 58 -11.033 7.107 -23.637 1.00 0.00 C ATOM 907 CG1 VAL A 58 -11.240 8.310 -24.559 1.00 0.00 C ATOM 908 CG2 VAL A 58 -10.900 5.836 -24.481 1.00 0.00 C ATOM 0 H VAL A 58 -10.387 5.535 -21.806 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.890 7.201 -23.464 1.00 0.00 H new ATOM 0 HB VAL A 58 -11.887 7.013 -22.966 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.148 8.168 -25.145 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.333 9.216 -23.960 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -10.387 8.405 -25.230 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -11.807 5.692 -25.068 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.046 5.932 -25.151 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.752 4.978 -23.825 1.00 0.00 H new ATOM 918 N GLU A 59 -10.432 8.853 -21.074 1.00 0.00 N ATOM 919 CA GLU A 59 -10.481 10.185 -20.411 1.00 0.00 C ATOM 920 C GLU A 59 -9.063 10.608 -20.024 1.00 0.00 C ATOM 921 O GLU A 59 -8.617 11.691 -20.349 1.00 0.00 O ATOM 922 CB GLU A 59 -11.349 10.097 -19.153 1.00 0.00 C ATOM 923 CG GLU A 59 -12.657 10.855 -19.382 1.00 0.00 C ATOM 924 CD GLU A 59 -13.486 10.136 -20.448 1.00 0.00 C ATOM 925 OE1 GLU A 59 -12.949 9.879 -21.513 1.00 0.00 O ATOM 926 OE2 GLU A 59 -14.642 9.855 -20.182 1.00 0.00 O ATOM 0 H GLU A 59 -10.940 8.111 -20.593 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.908 10.919 -21.095 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.558 9.054 -18.914 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.816 10.519 -18.301 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.220 10.919 -18.451 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.447 11.877 -19.698 1.00 0.00 H new ATOM 933 N ALA A 60 -8.349 9.759 -19.337 1.00 0.00 N ATOM 934 CA ALA A 60 -6.958 10.111 -18.933 1.00 0.00 C ATOM 935 C ALA A 60 -6.106 10.314 -20.187 1.00 0.00 C ATOM 936 O ALA A 60 -5.351 11.261 -20.290 1.00 0.00 O ATOM 937 CB ALA A 60 -6.368 8.977 -18.092 1.00 0.00 C ATOM 0 H ALA A 60 -8.668 8.837 -19.038 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.968 11.029 -18.345 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.351 9.234 -17.797 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -6.978 8.829 -17.201 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.354 8.058 -18.679 1.00 0.00 H new ATOM 943 N PHE A 61 -6.222 9.434 -21.142 1.00 0.00 N ATOM 944 CA PHE A 61 -5.421 9.577 -22.390 1.00 0.00 C ATOM 945 C PHE A 61 -5.620 10.982 -22.960 1.00 0.00 C ATOM 946 O PHE A 61 -4.712 11.577 -23.507 1.00 0.00 O ATOM 947 CB PHE A 61 -5.886 8.540 -23.415 1.00 0.00 C ATOM 948 CG PHE A 61 -5.377 8.920 -24.785 1.00 0.00 C ATOM 949 CD1 PHE A 61 -4.045 8.667 -25.133 1.00 0.00 C ATOM 950 CD2 PHE A 61 -6.239 9.526 -25.707 1.00 0.00 C ATOM 951 CE1 PHE A 61 -3.575 9.018 -26.404 1.00 0.00 C ATOM 952 CE2 PHE A 61 -5.769 9.877 -26.978 1.00 0.00 C ATOM 953 CZ PHE A 61 -4.437 9.624 -27.326 1.00 0.00 C ATOM 0 H PHE A 61 -6.837 8.621 -21.112 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.366 9.419 -22.168 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.518 7.552 -23.140 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.975 8.484 -23.423 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.380 8.201 -24.421 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.266 9.723 -25.438 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.548 8.821 -26.673 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.434 10.343 -27.690 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.074 9.896 -28.306 1.00 0.00 H new ATOM 963 N LYS A 62 -6.802 11.520 -22.833 1.00 0.00 N ATOM 964 CA LYS A 62 -7.060 12.887 -23.364 1.00 0.00 C ATOM 965 C LYS A 62 -6.336 13.915 -22.492 1.00 0.00 C ATOM 966 O LYS A 62 -5.576 14.729 -22.978 1.00 0.00 O ATOM 967 CB LYS A 62 -8.565 13.165 -23.340 1.00 0.00 C ATOM 968 CG LYS A 62 -8.855 14.470 -24.084 1.00 0.00 C ATOM 969 CD LYS A 62 -9.806 15.336 -23.254 1.00 0.00 C ATOM 970 CE LYS A 62 -9.815 16.759 -23.813 1.00 0.00 C ATOM 971 NZ LYS A 62 -8.442 17.332 -23.730 1.00 0.00 N ATOM 0 H LYS A 62 -7.600 11.071 -22.384 1.00 0.00 H new ATOM 0 HA LYS A 62 -6.694 12.957 -24.388 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.105 12.341 -23.806 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -8.916 13.235 -22.311 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.926 15.008 -24.270 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.298 14.255 -25.056 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -10.812 14.917 -23.279 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.490 15.345 -22.211 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.156 16.753 -24.848 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -10.514 17.378 -23.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.503 18.363 -23.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.941 16.917 -22.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.922 17.116 -24.604 1.00 0.00 H new ATOM 985 N MET A 63 -6.565 13.884 -21.207 1.00 0.00 N ATOM 986 CA MET A 63 -5.888 14.860 -20.307 1.00 0.00 C ATOM 987 C MET A 63 -4.421 14.998 -20.717 1.00 0.00 C ATOM 988 O MET A 63 -3.911 16.089 -20.879 1.00 0.00 O ATOM 989 CB MET A 63 -5.965 14.360 -18.860 1.00 0.00 C ATOM 990 CG MET A 63 -7.301 14.776 -18.236 1.00 0.00 C ATOM 991 SD MET A 63 -7.158 14.741 -16.433 1.00 0.00 S ATOM 992 CE MET A 63 -7.447 12.969 -16.215 1.00 0.00 C ATOM 0 H MET A 63 -7.191 13.226 -20.742 1.00 0.00 H new ATOM 0 HA MET A 63 -6.382 15.828 -20.385 1.00 0.00 H new ATOM 0 HB2 MET A 63 -5.864 13.275 -18.835 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.139 14.771 -18.280 1.00 0.00 H new ATOM 0 HG2 MET A 63 -7.576 15.776 -18.571 1.00 0.00 H new ATOM 0 HG3 MET A 63 -8.093 14.102 -18.562 1.00 0.00 H new ATOM 0 HE1 MET A 63 -7.650 12.760 -15.165 1.00 0.00 H new ATOM 0 HE2 MET A 63 -8.302 12.663 -16.817 1.00 0.00 H new ATOM 0 HE3 MET A 63 -6.563 12.415 -16.531 1.00 0.00 H new ATOM 1002 N GLY A 64 -3.736 13.900 -20.888 1.00 0.00 N ATOM 1003 CA GLY A 64 -2.302 13.970 -21.287 1.00 0.00 C ATOM 1004 C GLY A 64 -1.521 12.858 -20.585 1.00 0.00 C ATOM 1005 O GLY A 64 -0.370 13.021 -20.234 1.00 0.00 O ATOM 0 H GLY A 64 -4.108 12.958 -20.769 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.209 13.867 -22.368 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.887 14.943 -21.023 1.00 0.00 H new ATOM 1009 N PHE A 65 -2.139 11.728 -20.375 1.00 0.00 N ATOM 1010 CA PHE A 65 -1.432 10.607 -19.694 1.00 0.00 C ATOM 1011 C PHE A 65 -1.113 9.511 -20.712 1.00 0.00 C ATOM 1012 O PHE A 65 -1.782 9.368 -21.716 1.00 0.00 O ATOM 1013 CB PHE A 65 -2.327 10.031 -18.597 1.00 0.00 C ATOM 1014 CG PHE A 65 -2.370 10.984 -17.427 1.00 0.00 C ATOM 1015 CD1 PHE A 65 -3.182 12.123 -17.482 1.00 0.00 C ATOM 1016 CD2 PHE A 65 -1.598 10.730 -16.287 1.00 0.00 C ATOM 1017 CE1 PHE A 65 -3.222 13.007 -16.397 1.00 0.00 C ATOM 1018 CE2 PHE A 65 -1.638 11.614 -15.202 1.00 0.00 C ATOM 1019 CZ PHE A 65 -2.451 12.752 -15.258 1.00 0.00 C ATOM 0 H PHE A 65 -3.103 11.533 -20.646 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.506 10.978 -19.254 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.333 9.867 -18.983 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.947 9.061 -18.275 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.777 12.320 -18.361 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.971 9.852 -16.245 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.848 13.886 -16.439 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.042 11.418 -14.323 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.483 13.434 -14.421 1.00 0.00 H new ATOM 1029 N GLU A 66 -0.097 8.731 -20.458 1.00 0.00 N ATOM 1030 CA GLU A 66 0.258 7.642 -21.409 1.00 0.00 C ATOM 1031 C GLU A 66 -0.384 6.334 -20.940 1.00 0.00 C ATOM 1032 O GLU A 66 0.275 5.457 -20.417 1.00 0.00 O ATOM 1033 CB GLU A 66 1.782 7.486 -21.460 1.00 0.00 C ATOM 1034 CG GLU A 66 2.279 7.788 -22.876 1.00 0.00 C ATOM 1035 CD GLU A 66 1.963 6.603 -23.790 1.00 0.00 C ATOM 1036 OE1 GLU A 66 0.853 6.546 -24.291 1.00 0.00 O ATOM 1037 OE2 GLU A 66 2.838 5.773 -23.975 1.00 0.00 O ATOM 0 H GLU A 66 0.501 8.802 -19.634 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.110 7.888 -22.405 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.252 8.163 -20.746 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.064 6.473 -21.172 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.802 8.691 -23.256 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.353 7.976 -22.864 1.00 0.00 H new ATOM 1044 N VAL A 67 -1.669 6.199 -21.122 1.00 0.00 N ATOM 1045 CA VAL A 67 -2.359 4.951 -20.687 1.00 0.00 C ATOM 1046 C VAL A 67 -1.553 3.735 -21.147 1.00 0.00 C ATOM 1047 O VAL A 67 -0.954 3.740 -22.204 1.00 0.00 O ATOM 1048 CB VAL A 67 -3.756 4.897 -21.310 1.00 0.00 C ATOM 1049 CG1 VAL A 67 -3.685 5.363 -22.764 1.00 0.00 C ATOM 1050 CG2 VAL A 67 -4.277 3.460 -21.262 1.00 0.00 C ATOM 0 H VAL A 67 -2.272 6.900 -21.554 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.443 4.944 -19.600 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.429 5.549 -20.752 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.680 5.324 -23.207 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.311 6.386 -22.800 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.013 4.711 -23.323 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.272 3.419 -21.705 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.604 2.810 -21.821 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.327 3.126 -20.226 1.00 0.00 H new ATOM 1060 N LEU A 68 -1.534 2.694 -20.363 1.00 0.00 N ATOM 1061 CA LEU A 68 -0.768 1.479 -20.758 1.00 0.00 C ATOM 1062 C LEU A 68 -1.675 0.252 -20.654 1.00 0.00 C ATOM 1063 O LEU A 68 -2.407 0.089 -19.699 1.00 0.00 O ATOM 1064 CB LEU A 68 0.435 1.307 -19.826 1.00 0.00 C ATOM 1065 CG LEU A 68 1.725 1.311 -20.649 1.00 0.00 C ATOM 1066 CD1 LEU A 68 1.979 2.718 -21.195 1.00 0.00 C ATOM 1067 CD2 LEU A 68 2.896 0.890 -19.758 1.00 0.00 C ATOM 0 H LEU A 68 -2.015 2.632 -19.466 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.417 1.587 -21.784 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.457 2.112 -19.092 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.348 0.373 -19.272 1.00 0.00 H new ATOM 0 HG LEU A 68 1.629 0.612 -21.480 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.898 2.720 -21.781 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.144 3.019 -21.828 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.076 3.418 -20.365 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.816 0.892 -20.342 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.991 1.590 -18.928 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.715 -0.112 -19.369 1.00 0.00 H new ATOM 1079 N GLU A 69 -1.633 -0.613 -21.630 1.00 0.00 N ATOM 1080 CA GLU A 69 -2.495 -1.826 -21.585 1.00 0.00 C ATOM 1081 C GLU A 69 -2.533 -2.369 -20.157 1.00 0.00 C ATOM 1082 O GLU A 69 -1.695 -2.049 -19.337 1.00 0.00 O ATOM 1083 CB GLU A 69 -1.925 -2.891 -22.526 1.00 0.00 C ATOM 1084 CG GLU A 69 -2.865 -4.096 -22.565 1.00 0.00 C ATOM 1085 CD GLU A 69 -2.316 -5.139 -23.539 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -1.154 -5.488 -23.409 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -3.066 -5.572 -24.399 1.00 0.00 O ATOM 0 H GLU A 69 -1.039 -0.532 -22.456 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.506 -1.568 -21.901 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.804 -2.479 -23.528 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.936 -3.199 -22.187 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.961 -4.528 -21.569 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.862 -3.783 -22.874 1.00 0.00 H new ATOM 1094 N ALA A 70 -3.504 -3.186 -19.848 1.00 0.00 N ATOM 1095 CA ALA A 70 -3.599 -3.744 -18.470 1.00 0.00 C ATOM 1096 C ALA A 70 -3.150 -5.207 -18.472 1.00 0.00 C ATOM 1097 O ALA A 70 -2.842 -5.773 -19.502 1.00 0.00 O ATOM 1098 CB ALA A 70 -5.046 -3.658 -17.983 1.00 0.00 C ATOM 0 H ALA A 70 -4.235 -3.491 -20.491 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.954 -3.169 -17.805 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.115 -4.066 -16.975 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.366 -2.616 -17.975 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.689 -4.230 -18.651 1.00 0.00 H new ATOM 1104 N GLU A 71 -3.116 -5.823 -17.322 1.00 0.00 N ATOM 1105 CA GLU A 71 -2.693 -7.248 -17.247 1.00 0.00 C ATOM 1106 C GLU A 71 -3.713 -8.032 -16.416 1.00 0.00 C ATOM 1107 O GLU A 71 -3.951 -7.731 -15.263 1.00 0.00 O ATOM 1108 CB GLU A 71 -1.309 -7.334 -16.591 1.00 0.00 C ATOM 1109 CG GLU A 71 -1.180 -8.648 -15.818 1.00 0.00 C ATOM 1110 CD GLU A 71 0.297 -8.931 -15.534 1.00 0.00 C ATOM 1111 OE1 GLU A 71 1.131 -8.379 -16.233 1.00 0.00 O ATOM 1112 OE2 GLU A 71 0.568 -9.694 -14.623 1.00 0.00 O ATOM 0 H GLU A 71 -3.364 -5.398 -16.429 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.641 -7.673 -18.250 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.532 -7.272 -17.352 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.163 -6.490 -15.917 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.736 -8.588 -14.882 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.613 -9.465 -16.394 1.00 0.00 H new ATOM 1119 N GLU A 72 -4.323 -9.031 -16.995 1.00 0.00 N ATOM 1120 CA GLU A 72 -5.332 -9.828 -16.242 1.00 0.00 C ATOM 1121 C GLU A 72 -4.685 -10.441 -14.997 1.00 0.00 C ATOM 1122 O GLU A 72 -4.181 -11.545 -15.028 1.00 0.00 O ATOM 1123 CB GLU A 72 -5.871 -10.946 -17.138 1.00 0.00 C ATOM 1124 CG GLU A 72 -5.007 -11.056 -18.396 1.00 0.00 C ATOM 1125 CD GLU A 72 -5.330 -12.362 -19.124 1.00 0.00 C ATOM 1126 OE1 GLU A 72 -6.044 -13.172 -18.558 1.00 0.00 O ATOM 1127 OE2 GLU A 72 -4.858 -12.530 -20.236 1.00 0.00 O ATOM 0 H GLU A 72 -4.166 -9.329 -17.958 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.151 -9.176 -15.938 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.867 -11.893 -16.598 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.906 -10.740 -17.412 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.192 -10.206 -19.053 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.951 -11.028 -18.128 1.00 0.00 H new ATOM 1134 N THR A 73 -4.704 -9.735 -13.900 1.00 0.00 N ATOM 1135 CA THR A 73 -4.097 -10.281 -12.653 1.00 0.00 C ATOM 1136 C THR A 73 -5.204 -10.581 -11.641 1.00 0.00 C ATOM 1137 O THR A 73 -6.260 -11.071 -11.990 1.00 0.00 O ATOM 1138 CB THR A 73 -3.124 -9.258 -12.061 1.00 0.00 C ATOM 1139 OG1 THR A 73 -2.694 -9.704 -10.782 1.00 0.00 O ATOM 1140 CG2 THR A 73 -3.820 -7.904 -11.923 1.00 0.00 C ATOM 0 H THR A 73 -5.113 -8.805 -13.813 1.00 0.00 H new ATOM 0 HA THR A 73 -3.555 -11.198 -12.885 1.00 0.00 H new ATOM 0 HB THR A 73 -2.263 -9.153 -12.721 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.069 -9.052 -10.401 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.124 -7.179 -11.501 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.150 -7.563 -12.904 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.683 -8.004 -11.265 1.00 0.00 H new ATOM 1223 N LYS A 80 -10.289 -12.219 -11.270 1.00 0.00 N ATOM 1224 CA LYS A 80 -9.673 -11.652 -12.504 1.00 0.00 C ATOM 1225 C LYS A 80 -10.135 -10.204 -12.684 1.00 0.00 C ATOM 1226 O LYS A 80 -11.305 -9.935 -12.867 1.00 0.00 O ATOM 1227 CB LYS A 80 -10.104 -12.479 -13.717 1.00 0.00 C ATOM 1228 CG LYS A 80 -9.277 -13.764 -13.779 1.00 0.00 C ATOM 1229 CD LYS A 80 -9.806 -14.658 -14.904 1.00 0.00 C ATOM 1230 CE LYS A 80 -8.834 -15.817 -15.140 1.00 0.00 C ATOM 1231 NZ LYS A 80 -9.533 -17.108 -14.886 1.00 0.00 N ATOM 0 HA LYS A 80 -8.587 -11.680 -12.414 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.165 -12.720 -13.648 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.967 -11.902 -14.631 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.228 -13.526 -13.952 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.331 -14.290 -12.826 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -10.791 -15.044 -14.642 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -9.924 -14.077 -15.819 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.459 -15.789 -16.163 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.971 -15.722 -14.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.874 -17.897 -15.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.870 -17.132 -13.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -10.343 -17.197 -15.532 1.00 0.00 H new ATOM 1245 N LEU A 81 -9.225 -9.271 -12.636 1.00 0.00 N ATOM 1246 CA LEU A 81 -9.611 -7.843 -12.807 1.00 0.00 C ATOM 1247 C LEU A 81 -8.611 -7.157 -13.738 1.00 0.00 C ATOM 1248 O LEU A 81 -7.426 -7.423 -13.695 1.00 0.00 O ATOM 1249 CB LEU A 81 -9.605 -7.146 -11.444 1.00 0.00 C ATOM 1250 CG LEU A 81 -8.218 -7.266 -10.815 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -7.501 -5.916 -10.896 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -8.357 -7.679 -9.348 1.00 0.00 C ATOM 0 H LEU A 81 -8.230 -9.436 -12.486 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.610 -7.783 -13.239 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.874 -6.096 -11.560 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.352 -7.596 -10.790 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.641 -8.018 -11.353 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.511 -6.002 -10.447 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.401 -5.619 -11.940 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.079 -5.164 -10.359 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.368 -7.765 -8.899 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.935 -6.927 -8.811 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.867 -8.640 -9.287 1.00 0.00 H new ATOM 1264 N LEU A 82 -9.077 -6.282 -14.586 1.00 0.00 N ATOM 1265 CA LEU A 82 -8.151 -5.587 -15.523 1.00 0.00 C ATOM 1266 C LEU A 82 -7.464 -4.423 -14.805 1.00 0.00 C ATOM 1267 O LEU A 82 -8.102 -3.611 -14.164 1.00 0.00 O ATOM 1268 CB LEU A 82 -8.943 -5.056 -16.719 1.00 0.00 C ATOM 1269 CG LEU A 82 -9.232 -6.202 -17.689 1.00 0.00 C ATOM 1270 CD1 LEU A 82 -9.740 -7.416 -16.909 1.00 0.00 C ATOM 1271 CD2 LEU A 82 -10.298 -5.761 -18.694 1.00 0.00 C ATOM 0 H LEU A 82 -10.059 -6.019 -14.670 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.394 -6.290 -15.870 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.877 -4.608 -16.380 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.378 -4.272 -17.224 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.318 -6.468 -18.220 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -9.946 -8.233 -17.601 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.982 -7.731 -16.191 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.654 -7.151 -16.378 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -10.505 -6.577 -19.386 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -11.212 -5.496 -18.162 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.938 -4.896 -19.250 1.00 0.00 H new ATOM 1283 N CYS A 83 -6.166 -4.338 -14.913 1.00 0.00 N ATOM 1284 CA CYS A 83 -5.430 -3.228 -14.243 1.00 0.00 C ATOM 1285 C CYS A 83 -4.623 -2.453 -15.288 1.00 0.00 C ATOM 1286 O CYS A 83 -3.562 -2.874 -15.702 1.00 0.00 O ATOM 1287 CB CYS A 83 -4.479 -3.809 -13.194 1.00 0.00 C ATOM 1288 SG CYS A 83 -3.497 -5.135 -13.939 1.00 0.00 S ATOM 0 H CYS A 83 -5.583 -4.990 -15.437 1.00 0.00 H new ATOM 0 HA CYS A 83 -6.140 -2.558 -13.759 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -3.823 -3.028 -12.810 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -5.046 -4.194 -12.347 1.00 0.00 H new ATOM 0 HG CYS A 83 -4.289 -6.068 -14.377 1.00 0.00 H new ATOM 1294 N PHE A 84 -5.119 -1.324 -15.717 1.00 0.00 N ATOM 1295 CA PHE A 84 -4.377 -0.528 -16.738 1.00 0.00 C ATOM 1296 C PHE A 84 -3.466 0.479 -16.035 1.00 0.00 C ATOM 1297 O PHE A 84 -3.783 0.988 -14.979 1.00 0.00 O ATOM 1298 CB PHE A 84 -5.371 0.214 -17.634 1.00 0.00 C ATOM 1299 CG PHE A 84 -6.298 1.049 -16.784 1.00 0.00 C ATOM 1300 CD1 PHE A 84 -7.400 0.455 -16.156 1.00 0.00 C ATOM 1301 CD2 PHE A 84 -6.059 2.419 -16.628 1.00 0.00 C ATOM 1302 CE1 PHE A 84 -8.261 1.231 -15.371 1.00 0.00 C ATOM 1303 CE2 PHE A 84 -6.920 3.196 -15.844 1.00 0.00 C ATOM 1304 CZ PHE A 84 -8.021 2.602 -15.216 1.00 0.00 C ATOM 0 H PHE A 84 -6.002 -0.919 -15.407 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.773 -1.197 -17.350 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.835 0.851 -18.338 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.947 -0.500 -18.224 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -7.586 -0.602 -16.277 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.210 2.877 -17.113 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -9.110 0.773 -14.885 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -6.735 4.253 -15.724 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.686 3.201 -14.612 1.00 0.00 H new ATOM 1314 N ASP A 85 -2.331 0.770 -16.614 1.00 0.00 N ATOM 1315 CA ASP A 85 -1.396 1.740 -15.976 1.00 0.00 C ATOM 1316 C ASP A 85 -1.404 3.055 -16.759 1.00 0.00 C ATOM 1317 O ASP A 85 -1.862 3.119 -17.883 1.00 0.00 O ATOM 1318 CB ASP A 85 0.020 1.159 -15.973 1.00 0.00 C ATOM 1319 CG ASP A 85 -0.046 -0.351 -15.735 1.00 0.00 C ATOM 1320 OD1 ASP A 85 -1.139 -0.850 -15.524 1.00 0.00 O ATOM 1321 OD2 ASP A 85 0.997 -0.982 -15.767 1.00 0.00 O ATOM 0 H ASP A 85 -2.012 0.378 -17.500 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.716 1.927 -14.951 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.511 1.366 -16.924 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.617 1.634 -15.195 1.00 0.00 H new ATOM 1326 N ALA A 86 -0.896 4.104 -16.172 1.00 0.00 N ATOM 1327 CA ALA A 86 -0.866 5.419 -16.876 1.00 0.00 C ATOM 1328 C ALA A 86 0.432 6.148 -16.523 1.00 0.00 C ATOM 1329 O ALA A 86 0.778 6.293 -15.367 1.00 0.00 O ATOM 1330 CB ALA A 86 -2.064 6.262 -16.435 1.00 0.00 C ATOM 0 H ALA A 86 -0.499 4.108 -15.232 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.915 5.260 -17.953 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.042 7.223 -16.949 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.988 5.739 -16.682 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.017 6.426 -15.358 1.00 0.00 H new ATOM 1336 N THR A 87 1.158 6.603 -17.507 1.00 0.00 N ATOM 1337 CA THR A 87 2.436 7.314 -17.221 1.00 0.00 C ATOM 1338 C THR A 87 2.276 8.808 -17.518 1.00 0.00 C ATOM 1339 O THR A 87 1.667 9.197 -18.495 1.00 0.00 O ATOM 1340 CB THR A 87 3.548 6.734 -18.100 1.00 0.00 C ATOM 1341 OG1 THR A 87 2.993 5.780 -18.995 1.00 0.00 O ATOM 1342 CG2 THR A 87 4.599 6.057 -17.217 1.00 0.00 C ATOM 0 H THR A 87 0.922 6.513 -18.495 1.00 0.00 H new ATOM 0 HA THR A 87 2.694 7.183 -16.170 1.00 0.00 H new ATOM 0 HB THR A 87 4.017 7.537 -18.669 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.703 5.409 -19.559 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.390 5.645 -17.844 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.024 6.790 -16.531 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.132 5.254 -16.647 1.00 0.00 H new ATOM 1350 N MET A 88 2.825 9.645 -16.683 1.00 0.00 N ATOM 1351 CA MET A 88 2.715 11.114 -16.913 1.00 0.00 C ATOM 1352 C MET A 88 4.102 11.746 -16.786 1.00 0.00 C ATOM 1353 O MET A 88 4.592 11.982 -15.700 1.00 0.00 O ATOM 1354 CB MET A 88 1.777 11.726 -15.870 1.00 0.00 C ATOM 1355 CG MET A 88 1.596 13.218 -16.155 1.00 0.00 C ATOM 1356 SD MET A 88 0.470 13.432 -17.556 1.00 0.00 S ATOM 1357 CE MET A 88 -0.545 14.744 -16.833 1.00 0.00 C ATOM 0 H MET A 88 3.347 9.375 -15.849 1.00 0.00 H new ATOM 0 HA MET A 88 2.316 11.301 -17.910 1.00 0.00 H new ATOM 0 HB2 MET A 88 0.811 11.221 -15.894 1.00 0.00 H new ATOM 0 HB3 MET A 88 2.186 11.584 -14.870 1.00 0.00 H new ATOM 0 HG2 MET A 88 1.198 13.722 -15.274 1.00 0.00 H new ATOM 0 HG3 MET A 88 2.560 13.677 -16.376 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.521 14.758 -17.318 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.672 14.560 -15.766 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.054 15.706 -16.979 1.00 0.00 H new ATOM 1367 N GLN A 89 4.742 12.019 -17.891 1.00 0.00 N ATOM 1368 CA GLN A 89 6.099 12.629 -17.837 1.00 0.00 C ATOM 1369 C GLN A 89 6.005 14.054 -17.288 1.00 0.00 C ATOM 1370 O GLN A 89 5.306 14.892 -17.823 1.00 0.00 O ATOM 1371 CB GLN A 89 6.699 12.662 -19.243 1.00 0.00 C ATOM 1372 CG GLN A 89 7.275 11.286 -19.585 1.00 0.00 C ATOM 1373 CD GLN A 89 7.348 11.125 -21.103 1.00 0.00 C ATOM 1374 OE1 GLN A 89 7.208 12.085 -21.836 1.00 0.00 O ATOM 1375 NE2 GLN A 89 7.565 9.943 -21.613 1.00 0.00 N ATOM 0 H GLN A 89 4.382 11.845 -18.829 1.00 0.00 H new ATOM 0 HA GLN A 89 6.735 12.033 -17.183 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.935 12.939 -19.969 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.481 13.419 -19.298 1.00 0.00 H new ATOM 0 HG2 GLN A 89 8.268 11.178 -19.149 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.651 10.502 -19.155 1.00 0.00 H new ATOM 0 HE21 GLN A 89 7.683 9.137 -21.000 1.00 0.00 H new ATOM 0 HE22 GLN A 89 7.617 9.826 -22.625 1.00 0.00 H new ATOM 1384 N SER A 90 6.706 14.334 -16.224 1.00 0.00 N ATOM 1385 CA SER A 90 6.664 15.704 -15.636 1.00 0.00 C ATOM 1386 C SER A 90 7.821 15.866 -14.648 1.00 0.00 C ATOM 1387 O SER A 90 8.502 14.917 -14.315 1.00 0.00 O ATOM 1388 CB SER A 90 5.336 15.905 -14.907 1.00 0.00 C ATOM 1389 OG SER A 90 5.251 14.987 -13.825 1.00 0.00 O ATOM 0 H SER A 90 7.308 13.672 -15.735 1.00 0.00 H new ATOM 0 HA SER A 90 6.756 16.446 -16.429 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.262 16.928 -14.538 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.504 15.753 -15.594 1.00 0.00 H new ATOM 0 HG SER A 90 4.401 15.114 -13.354 1.00 0.00 H new ATOM 1395 N ALA A 91 8.051 17.062 -14.176 1.00 0.00 N ATOM 1396 CA ALA A 91 9.167 17.279 -13.212 1.00 0.00 C ATOM 1397 C ALA A 91 8.897 16.486 -11.930 1.00 0.00 C ATOM 1398 O ALA A 91 7.906 15.793 -11.815 1.00 0.00 O ATOM 1399 CB ALA A 91 9.273 18.768 -12.879 1.00 0.00 C ATOM 0 H ALA A 91 7.515 17.896 -14.416 1.00 0.00 H new ATOM 0 HA ALA A 91 10.102 16.940 -13.658 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.089 18.926 -12.174 1.00 0.00 H new ATOM 0 HB2 ALA A 91 9.467 19.332 -13.791 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.338 19.109 -12.434 1.00 0.00 H new ATOM 1405 N LEU A 92 9.774 16.579 -10.967 1.00 0.00 N ATOM 1406 CA LEU A 92 9.568 15.826 -9.697 1.00 0.00 C ATOM 1407 C LEU A 92 9.186 16.799 -8.579 1.00 0.00 C ATOM 1408 O LEU A 92 10.031 17.434 -7.979 1.00 0.00 O ATOM 1409 CB LEU A 92 10.861 15.100 -9.320 1.00 0.00 C ATOM 1410 CG LEU A 92 10.598 14.166 -8.137 1.00 0.00 C ATOM 1411 CD1 LEU A 92 10.192 12.786 -8.656 1.00 0.00 C ATOM 1412 CD2 LEU A 92 11.870 14.040 -7.296 1.00 0.00 C ATOM 0 H LEU A 92 10.623 17.143 -11.005 1.00 0.00 H new ATOM 0 HA LEU A 92 8.767 15.099 -9.833 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.231 14.529 -10.172 1.00 0.00 H new ATOM 0 HB3 LEU A 92 11.634 15.823 -9.061 1.00 0.00 H new ATOM 0 HG LEU A 92 9.794 14.574 -7.524 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.005 12.121 -7.813 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.286 12.875 -9.256 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.995 12.377 -9.269 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.684 13.375 -6.453 1.00 0.00 H new ATOM 0 HD22 LEU A 92 12.673 13.632 -7.910 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.160 15.023 -6.926 1.00 0.00 H new ATOM 1424 N ASP A 93 7.919 16.917 -8.289 1.00 0.00 N ATOM 1425 CA ASP A 93 7.483 17.844 -7.207 1.00 0.00 C ATOM 1426 C ASP A 93 6.325 17.210 -6.435 1.00 0.00 C ATOM 1427 O ASP A 93 5.216 17.117 -6.924 1.00 0.00 O ATOM 1428 CB ASP A 93 7.026 19.169 -7.821 1.00 0.00 C ATOM 1429 CG ASP A 93 6.902 19.015 -9.338 1.00 0.00 C ATOM 1430 OD1 ASP A 93 6.113 18.190 -9.766 1.00 0.00 O ATOM 1431 OD2 ASP A 93 7.598 19.725 -10.045 1.00 0.00 O ATOM 0 H ASP A 93 7.166 16.411 -8.755 1.00 0.00 H new ATOM 0 HA ASP A 93 8.315 18.030 -6.528 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.068 19.467 -7.396 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.740 19.958 -7.582 1.00 0.00 H new ATOM 1436 N ALA A 94 6.573 16.768 -5.232 1.00 0.00 N ATOM 1437 CA ALA A 94 5.489 16.134 -4.429 1.00 0.00 C ATOM 1438 C ALA A 94 4.174 16.882 -4.658 1.00 0.00 C ATOM 1439 O ALA A 94 3.278 16.393 -5.319 1.00 0.00 O ATOM 1440 CB ALA A 94 5.855 16.192 -2.943 1.00 0.00 C ATOM 0 H ALA A 94 7.481 16.819 -4.770 1.00 0.00 H new ATOM 0 HA ALA A 94 5.372 15.095 -4.737 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.063 15.729 -2.355 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.790 15.657 -2.777 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.973 17.232 -2.638 1.00 0.00 H new ATOM 1446 N LYS A 95 4.049 18.059 -4.108 1.00 0.00 N ATOM 1447 CA LYS A 95 2.793 18.843 -4.281 1.00 0.00 C ATOM 1448 C LYS A 95 2.184 18.555 -5.656 1.00 0.00 C ATOM 1449 O LYS A 95 1.069 18.086 -5.764 1.00 0.00 O ATOM 1450 CB LYS A 95 3.104 20.336 -4.161 1.00 0.00 C ATOM 1451 CG LYS A 95 3.335 20.695 -2.689 1.00 0.00 C ATOM 1452 CD LYS A 95 2.228 21.638 -2.212 1.00 0.00 C ATOM 1453 CE LYS A 95 2.439 21.965 -0.732 1.00 0.00 C ATOM 1454 NZ LYS A 95 1.688 23.204 -0.385 1.00 0.00 N ATOM 0 H LYS A 95 4.767 18.514 -3.543 1.00 0.00 H new ATOM 0 HA LYS A 95 2.081 18.555 -3.508 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.988 20.582 -4.749 1.00 0.00 H new ATOM 0 HB3 LYS A 95 2.279 20.923 -4.564 1.00 0.00 H new ATOM 0 HG2 LYS A 95 3.344 19.791 -2.081 1.00 0.00 H new ATOM 0 HG3 LYS A 95 4.309 21.170 -2.568 1.00 0.00 H new ATOM 0 HD2 LYS A 95 2.236 22.554 -2.803 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.253 21.174 -2.357 1.00 0.00 H new ATOM 0 HE2 LYS A 95 2.098 21.135 -0.113 1.00 0.00 H new ATOM 0 HE3 LYS A 95 3.501 22.101 -0.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.831 23.427 0.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 2.033 23.994 -0.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.674 23.058 -0.566 1.00 0.00 H new ATOM 1468 N LEU A 96 2.904 18.835 -6.708 1.00 0.00 N ATOM 1469 CA LEU A 96 2.358 18.576 -8.070 1.00 0.00 C ATOM 1470 C LEU A 96 1.811 17.150 -8.134 1.00 0.00 C ATOM 1471 O LEU A 96 0.731 16.911 -8.637 1.00 0.00 O ATOM 1472 CB LEU A 96 3.469 18.745 -9.110 1.00 0.00 C ATOM 1473 CG LEU A 96 2.892 19.388 -10.372 1.00 0.00 C ATOM 1474 CD1 LEU A 96 2.649 20.878 -10.122 1.00 0.00 C ATOM 1475 CD2 LEU A 96 3.884 19.221 -11.526 1.00 0.00 C ATOM 0 H LEU A 96 3.844 19.231 -6.683 1.00 0.00 H new ATOM 0 HA LEU A 96 1.557 19.284 -8.281 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.269 19.366 -8.706 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.907 17.776 -9.350 1.00 0.00 H new ATOM 0 HG LEU A 96 1.949 18.905 -10.627 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.238 21.336 -11.022 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.944 20.999 -9.299 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.591 21.363 -9.867 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.475 19.679 -12.427 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.826 19.705 -11.269 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.058 18.160 -11.705 1.00 0.00 H new ATOM 1487 N ILE A 97 2.544 16.199 -7.621 1.00 0.00 N ATOM 1488 CA ILE A 97 2.060 14.791 -7.648 1.00 0.00 C ATOM 1489 C ILE A 97 0.726 14.703 -6.905 1.00 0.00 C ATOM 1490 O ILE A 97 -0.080 13.829 -7.156 1.00 0.00 O ATOM 1491 CB ILE A 97 3.085 13.883 -6.966 1.00 0.00 C ATOM 1492 CG1 ILE A 97 4.349 13.810 -7.826 1.00 0.00 C ATOM 1493 CG2 ILE A 97 2.498 12.480 -6.802 1.00 0.00 C ATOM 1494 CD1 ILE A 97 5.544 13.440 -6.945 1.00 0.00 C ATOM 0 H ILE A 97 3.456 16.337 -7.185 1.00 0.00 H new ATOM 0 HA ILE A 97 1.926 14.471 -8.681 1.00 0.00 H new ATOM 0 HB ILE A 97 3.333 14.288 -5.985 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.222 13.069 -8.616 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.526 14.769 -8.314 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.229 11.834 -6.316 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.597 12.532 -6.191 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.249 12.073 -7.782 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.445 13.388 -7.557 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.674 14.197 -6.172 1.00 0.00 H new ATOM 0 HD13 ILE A 97 5.366 12.471 -6.478 1.00 0.00 H new ATOM 1506 N ASP A 98 0.485 15.605 -5.992 1.00 0.00 N ATOM 1507 CA ASP A 98 -0.798 15.574 -5.238 1.00 0.00 C ATOM 1508 C ASP A 98 -1.928 16.066 -6.145 1.00 0.00 C ATOM 1509 O ASP A 98 -3.008 15.510 -6.166 1.00 0.00 O ATOM 1510 CB ASP A 98 -0.697 16.483 -4.011 1.00 0.00 C ATOM 1511 CG ASP A 98 -1.737 16.056 -2.973 1.00 0.00 C ATOM 1512 OD1 ASP A 98 -2.298 14.984 -3.132 1.00 0.00 O ATOM 1513 OD2 ASP A 98 -1.956 16.808 -2.038 1.00 0.00 O ATOM 0 H ASP A 98 1.121 16.360 -5.737 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.004 14.554 -4.914 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.304 16.425 -3.584 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -0.861 17.521 -4.300 1.00 0.00 H new ATOM 1518 N GLU A 99 -1.687 17.104 -6.898 1.00 0.00 N ATOM 1519 CA GLU A 99 -2.745 17.626 -7.806 1.00 0.00 C ATOM 1520 C GLU A 99 -3.075 16.567 -8.858 1.00 0.00 C ATOM 1521 O GLU A 99 -4.218 16.373 -9.222 1.00 0.00 O ATOM 1522 CB GLU A 99 -2.245 18.895 -8.499 1.00 0.00 C ATOM 1523 CG GLU A 99 -2.261 20.060 -7.505 1.00 0.00 C ATOM 1524 CD GLU A 99 -0.929 20.809 -7.574 1.00 0.00 C ATOM 1525 OE1 GLU A 99 -0.301 20.767 -8.619 1.00 0.00 O ATOM 1526 OE2 GLU A 99 -0.561 21.414 -6.579 1.00 0.00 O ATOM 0 H GLU A 99 -0.803 17.613 -6.923 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.639 17.859 -7.228 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -1.235 18.741 -8.879 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -2.876 19.126 -9.357 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -3.083 20.737 -7.736 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -2.429 19.687 -6.495 1.00 0.00 H new ATOM 1533 N GLN A 100 -2.082 15.876 -9.346 1.00 0.00 N ATOM 1534 CA GLN A 100 -2.338 14.827 -10.372 1.00 0.00 C ATOM 1535 C GLN A 100 -3.031 13.634 -9.711 1.00 0.00 C ATOM 1536 O GLN A 100 -4.032 13.142 -10.191 1.00 0.00 O ATOM 1537 CB GLN A 100 -1.011 14.375 -10.984 1.00 0.00 C ATOM 1538 CG GLN A 100 -0.263 15.593 -11.533 1.00 0.00 C ATOM 1539 CD GLN A 100 1.029 15.135 -12.211 1.00 0.00 C ATOM 1540 OE1 GLN A 100 1.594 14.122 -11.849 1.00 0.00 O ATOM 1541 NE2 GLN A 100 1.522 15.843 -13.190 1.00 0.00 N ATOM 0 H GLN A 100 -1.105 15.993 -9.079 1.00 0.00 H new ATOM 0 HA GLN A 100 -2.977 15.231 -11.157 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.404 13.870 -10.232 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.192 13.656 -11.782 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.891 16.128 -12.246 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -0.036 16.288 -10.725 1.00 0.00 H new ATOM 0 HE21 GLN A 100 1.048 16.693 -13.494 1.00 0.00 H new ATOM 0 HE22 GLN A 100 2.382 15.546 -13.652 1.00 0.00 H new ATOM 1550 N VAL A 101 -2.509 13.166 -8.608 1.00 0.00 N ATOM 1551 CA VAL A 101 -3.144 12.009 -7.919 1.00 0.00 C ATOM 1552 C VAL A 101 -4.595 12.359 -7.588 1.00 0.00 C ATOM 1553 O VAL A 101 -5.506 11.606 -7.873 1.00 0.00 O ATOM 1554 CB VAL A 101 -2.385 11.701 -6.628 1.00 0.00 C ATOM 1555 CG1 VAL A 101 -3.272 10.867 -5.701 1.00 0.00 C ATOM 1556 CG2 VAL A 101 -1.116 10.911 -6.959 1.00 0.00 C ATOM 0 H VAL A 101 -1.672 13.535 -8.157 1.00 0.00 H new ATOM 0 HA VAL A 101 -3.116 11.135 -8.569 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.116 12.635 -6.134 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.731 10.647 -4.781 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.178 11.425 -5.465 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.540 9.934 -6.196 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.574 10.691 -6.039 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.387 9.978 -7.453 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.482 11.501 -7.621 1.00 0.00 H new ATOM 1566 N GLU A 102 -4.821 13.500 -6.995 1.00 0.00 N ATOM 1567 CA GLU A 102 -6.216 13.898 -6.657 1.00 0.00 C ATOM 1568 C GLU A 102 -7.059 13.886 -7.933 1.00 0.00 C ATOM 1569 O GLU A 102 -8.170 13.395 -7.951 1.00 0.00 O ATOM 1570 CB GLU A 102 -6.216 15.306 -6.057 1.00 0.00 C ATOM 1571 CG GLU A 102 -7.591 15.603 -5.452 1.00 0.00 C ATOM 1572 CD GLU A 102 -7.534 16.920 -4.677 1.00 0.00 C ATOM 1573 OE1 GLU A 102 -6.846 17.821 -5.127 1.00 0.00 O ATOM 1574 OE2 GLU A 102 -8.179 17.006 -3.644 1.00 0.00 O ATOM 0 H GLU A 102 -4.101 14.172 -6.731 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.633 13.199 -5.932 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.445 15.386 -5.291 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.979 16.041 -6.826 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.341 15.665 -6.240 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -7.891 14.791 -4.789 1.00 0.00 H new ATOM 1581 N LYS A 103 -6.532 14.418 -9.003 1.00 0.00 N ATOM 1582 CA LYS A 103 -7.296 14.431 -10.281 1.00 0.00 C ATOM 1583 C LYS A 103 -7.668 12.994 -10.650 1.00 0.00 C ATOM 1584 O LYS A 103 -8.781 12.711 -11.047 1.00 0.00 O ATOM 1585 CB LYS A 103 -6.430 15.037 -11.389 1.00 0.00 C ATOM 1586 CG LYS A 103 -6.422 16.563 -11.258 1.00 0.00 C ATOM 1587 CD LYS A 103 -7.003 17.190 -12.527 1.00 0.00 C ATOM 1588 CE LYS A 103 -7.244 18.682 -12.295 1.00 0.00 C ATOM 1589 NZ LYS A 103 -5.977 19.432 -12.524 1.00 0.00 N ATOM 0 H LYS A 103 -5.606 14.844 -9.046 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.200 15.029 -10.166 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.413 14.651 -11.322 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.817 14.748 -12.366 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.007 16.867 -10.390 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -5.404 16.919 -11.097 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -6.318 17.047 -13.362 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.938 16.697 -12.794 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -8.020 19.045 -12.968 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.600 18.850 -11.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.141 20.447 -12.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -5.248 19.092 -11.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -5.656 19.281 -13.502 1.00 0.00 H new ATOM 1603 N LEU A 104 -6.743 12.083 -10.515 1.00 0.00 N ATOM 1604 CA LEU A 104 -7.042 10.663 -10.849 1.00 0.00 C ATOM 1605 C LEU A 104 -8.067 10.122 -9.852 1.00 0.00 C ATOM 1606 O LEU A 104 -8.826 9.220 -10.151 1.00 0.00 O ATOM 1607 CB LEU A 104 -5.756 9.838 -10.760 1.00 0.00 C ATOM 1608 CG LEU A 104 -4.865 10.144 -11.965 1.00 0.00 C ATOM 1609 CD1 LEU A 104 -3.437 9.673 -11.679 1.00 0.00 C ATOM 1610 CD2 LEU A 104 -5.404 9.413 -13.198 1.00 0.00 C ATOM 0 H LEU A 104 -5.794 12.261 -10.188 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.443 10.597 -11.860 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.227 10.070 -9.836 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.995 8.775 -10.733 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.863 11.218 -12.150 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.803 9.891 -12.538 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.051 10.193 -10.802 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.439 8.599 -11.493 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.769 9.631 -14.057 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.407 8.339 -13.012 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.421 9.748 -13.404 1.00 0.00 H new ATOM 1622 N VAL A 105 -8.097 10.670 -8.668 1.00 0.00 N ATOM 1623 CA VAL A 105 -9.073 10.196 -7.647 1.00 0.00 C ATOM 1624 C VAL A 105 -10.477 10.659 -8.039 1.00 0.00 C ATOM 1625 O VAL A 105 -11.328 9.864 -8.388 1.00 0.00 O ATOM 1626 CB VAL A 105 -8.705 10.777 -6.280 1.00 0.00 C ATOM 1627 CG1 VAL A 105 -9.953 10.842 -5.398 1.00 0.00 C ATOM 1628 CG2 VAL A 105 -7.655 9.886 -5.614 1.00 0.00 C ATOM 0 H VAL A 105 -7.486 11.428 -8.363 1.00 0.00 H new ATOM 0 HA VAL A 105 -9.049 9.108 -7.594 1.00 0.00 H new ATOM 0 HB VAL A 105 -8.301 11.781 -6.410 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.690 11.256 -4.425 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.701 11.477 -5.872 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -10.359 9.839 -5.268 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -7.392 10.299 -4.640 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -8.059 8.882 -5.485 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.765 9.841 -6.241 1.00 0.00 H new ATOM 1638 N ASN A 106 -10.727 11.940 -7.988 1.00 0.00 N ATOM 1639 CA ASN A 106 -12.075 12.449 -8.362 1.00 0.00 C ATOM 1640 C ASN A 106 -12.541 11.744 -9.637 1.00 0.00 C ATOM 1641 O ASN A 106 -13.709 11.458 -9.810 1.00 0.00 O ATOM 1642 CB ASN A 106 -12.002 13.957 -8.613 1.00 0.00 C ATOM 1643 CG ASN A 106 -11.711 14.681 -7.297 1.00 0.00 C ATOM 1644 OD1 ASN A 106 -12.592 14.857 -6.480 1.00 0.00 O ATOM 1645 ND2 ASN A 106 -10.503 15.110 -7.058 1.00 0.00 N ATOM 0 H ASN A 106 -10.056 12.654 -7.704 1.00 0.00 H new ATOM 0 HA ASN A 106 -12.778 12.251 -7.553 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -11.222 14.178 -9.342 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.942 14.312 -9.035 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -10.297 15.594 -6.184 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -9.764 14.962 -7.745 1.00 0.00 H new ATOM 1652 N LEU A 107 -11.633 11.463 -10.530 1.00 0.00 N ATOM 1653 CA LEU A 107 -12.016 10.777 -11.796 1.00 0.00 C ATOM 1654 C LEU A 107 -12.412 9.331 -11.495 1.00 0.00 C ATOM 1655 O LEU A 107 -13.492 8.890 -11.834 1.00 0.00 O ATOM 1656 CB LEU A 107 -10.827 10.791 -12.759 1.00 0.00 C ATOM 1657 CG LEU A 107 -11.274 10.294 -14.133 1.00 0.00 C ATOM 1658 CD1 LEU A 107 -11.782 11.475 -14.963 1.00 0.00 C ATOM 1659 CD2 LEU A 107 -10.089 9.642 -14.848 1.00 0.00 C ATOM 0 H LEU A 107 -10.640 11.679 -10.438 1.00 0.00 H new ATOM 0 HA LEU A 107 -12.860 11.296 -12.250 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -10.424 11.800 -12.840 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -10.027 10.158 -12.375 1.00 0.00 H new ATOM 0 HG LEU A 107 -12.074 9.564 -14.013 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -12.101 11.120 -15.943 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -12.625 11.941 -14.454 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -10.982 12.205 -15.084 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.406 9.287 -15.828 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.289 10.373 -14.968 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -9.726 8.801 -14.258 1.00 0.00 H new ATOM 1671 N ALA A 108 -11.545 8.588 -10.862 1.00 0.00 N ATOM 1672 CA ALA A 108 -11.874 7.170 -10.543 1.00 0.00 C ATOM 1673 C ALA A 108 -13.303 7.086 -10.002 1.00 0.00 C ATOM 1674 O ALA A 108 -14.121 6.336 -10.497 1.00 0.00 O ATOM 1675 CB ALA A 108 -10.898 6.644 -9.488 1.00 0.00 C ATOM 0 H ALA A 108 -10.625 8.901 -10.553 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.792 6.567 -11.447 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -11.139 5.607 -9.255 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -9.880 6.703 -9.873 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -10.979 7.248 -8.584 1.00 0.00 H new ATOM 1681 N GLU A 109 -13.611 7.851 -8.991 1.00 0.00 N ATOM 1682 CA GLU A 109 -14.987 7.815 -8.420 1.00 0.00 C ATOM 1683 C GLU A 109 -15.976 8.390 -9.437 1.00 0.00 C ATOM 1684 O GLU A 109 -17.156 8.103 -9.400 1.00 0.00 O ATOM 1685 CB GLU A 109 -15.029 8.649 -7.138 1.00 0.00 C ATOM 1686 CG GLU A 109 -14.161 7.985 -6.065 1.00 0.00 C ATOM 1687 CD GLU A 109 -15.052 7.450 -4.943 1.00 0.00 C ATOM 1688 OE1 GLU A 109 -16.201 7.146 -5.218 1.00 0.00 O ATOM 1689 OE2 GLU A 109 -14.571 7.354 -3.826 1.00 0.00 O ATOM 0 H GLU A 109 -12.969 8.500 -8.535 1.00 0.00 H new ATOM 0 HA GLU A 109 -15.259 6.785 -8.191 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -14.670 9.659 -7.337 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -16.056 8.740 -6.785 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -13.583 7.172 -6.503 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -13.447 8.704 -5.664 1.00 0.00 H new ATOM 1696 N LYS A 110 -15.504 9.200 -10.345 1.00 0.00 N ATOM 1697 CA LYS A 110 -16.416 9.795 -11.363 1.00 0.00 C ATOM 1698 C LYS A 110 -17.007 8.682 -12.232 1.00 0.00 C ATOM 1699 O LYS A 110 -18.135 8.763 -12.678 1.00 0.00 O ATOM 1700 CB LYS A 110 -15.631 10.769 -12.245 1.00 0.00 C ATOM 1701 CG LYS A 110 -16.604 11.705 -12.966 1.00 0.00 C ATOM 1702 CD LYS A 110 -15.888 12.384 -14.135 1.00 0.00 C ATOM 1703 CE LYS A 110 -15.959 11.484 -15.370 1.00 0.00 C ATOM 1704 NZ LYS A 110 -16.992 12.010 -16.308 1.00 0.00 N ATOM 0 H LYS A 110 -14.525 9.476 -10.426 1.00 0.00 H new ATOM 0 HA LYS A 110 -17.222 10.330 -10.860 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -14.937 11.348 -11.636 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -15.034 10.218 -12.972 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -17.464 11.143 -13.330 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -16.984 12.456 -12.273 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -16.350 13.348 -14.348 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -14.848 12.580 -13.874 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -14.988 11.448 -15.864 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -16.205 10.464 -15.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -17.041 11.399 -17.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -17.918 12.022 -15.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -16.739 12.976 -16.597 1.00 0.00 H new ATOM 1718 N PHE A 111 -16.255 7.644 -12.477 1.00 0.00 N ATOM 1719 CA PHE A 111 -16.776 6.529 -13.319 1.00 0.00 C ATOM 1720 C PHE A 111 -17.189 5.361 -12.421 1.00 0.00 C ATOM 1721 O PHE A 111 -18.358 5.143 -12.169 1.00 0.00 O ATOM 1722 CB PHE A 111 -15.684 6.066 -14.286 1.00 0.00 C ATOM 1723 CG PHE A 111 -15.859 6.761 -15.615 1.00 0.00 C ATOM 1724 CD1 PHE A 111 -16.857 6.338 -16.500 1.00 0.00 C ATOM 1725 CD2 PHE A 111 -15.022 7.829 -15.962 1.00 0.00 C ATOM 1726 CE1 PHE A 111 -17.019 6.983 -17.733 1.00 0.00 C ATOM 1727 CE2 PHE A 111 -15.184 8.473 -17.195 1.00 0.00 C ATOM 1728 CZ PHE A 111 -16.182 8.050 -18.080 1.00 0.00 C ATOM 0 H PHE A 111 -15.304 7.519 -12.131 1.00 0.00 H new ATOM 0 HA PHE A 111 -17.640 6.876 -13.885 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -14.700 6.289 -13.874 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -15.736 4.985 -14.419 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -17.502 5.514 -16.233 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -14.252 8.156 -15.279 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -17.790 6.657 -18.416 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -14.538 9.296 -17.463 1.00 0.00 H new ATOM 0 HZ PHE A 111 -16.306 8.547 -19.031 1.00 0.00 H new ATOM 1738 N ASP A 112 -16.240 4.610 -11.937 1.00 0.00 N ATOM 1739 CA ASP A 112 -16.577 3.455 -11.056 1.00 0.00 C ATOM 1740 C ASP A 112 -15.334 2.583 -10.865 1.00 0.00 C ATOM 1741 O ASP A 112 -15.424 1.379 -10.733 1.00 0.00 O ATOM 1742 CB ASP A 112 -17.689 2.627 -11.703 1.00 0.00 C ATOM 1743 CG ASP A 112 -19.007 2.878 -10.968 1.00 0.00 C ATOM 1744 OD1 ASP A 112 -19.168 3.963 -10.435 1.00 0.00 O ATOM 1745 OD2 ASP A 112 -19.833 1.981 -10.952 1.00 0.00 O ATOM 0 H ASP A 112 -15.244 4.745 -12.113 1.00 0.00 H new ATOM 0 HA ASP A 112 -16.916 3.822 -10.087 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -17.791 2.894 -12.755 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -17.436 1.567 -11.666 1.00 0.00 H new ATOM 1750 N ILE A 113 -14.175 3.181 -10.850 1.00 0.00 N ATOM 1751 CA ILE A 113 -12.929 2.386 -10.668 1.00 0.00 C ATOM 1752 C ILE A 113 -12.239 2.815 -9.371 1.00 0.00 C ATOM 1753 O ILE A 113 -12.714 3.677 -8.661 1.00 0.00 O ATOM 1754 CB ILE A 113 -11.993 2.633 -11.853 1.00 0.00 C ATOM 1755 CG1 ILE A 113 -11.730 4.135 -11.986 1.00 0.00 C ATOM 1756 CG2 ILE A 113 -12.649 2.117 -13.134 1.00 0.00 C ATOM 1757 CD1 ILE A 113 -10.913 4.406 -13.252 1.00 0.00 C ATOM 0 H ILE A 113 -14.037 4.186 -10.956 1.00 0.00 H new ATOM 0 HA ILE A 113 -13.175 1.325 -10.615 1.00 0.00 H new ATOM 0 HB ILE A 113 -11.051 2.110 -11.690 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -12.675 4.677 -12.028 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -11.193 4.499 -11.110 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -11.984 2.292 -13.979 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -12.842 1.048 -13.039 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -13.590 2.642 -13.298 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -10.728 5.476 -13.343 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -9.962 3.877 -13.191 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -11.467 4.058 -14.124 1.00 0.00 H new ATOM 1769 N ILE A 114 -11.123 2.217 -9.055 1.00 0.00 N ATOM 1770 CA ILE A 114 -10.411 2.591 -7.800 1.00 0.00 C ATOM 1771 C ILE A 114 -8.973 2.999 -8.121 1.00 0.00 C ATOM 1772 O ILE A 114 -8.379 2.528 -9.071 1.00 0.00 O ATOM 1773 CB ILE A 114 -10.399 1.395 -6.847 1.00 0.00 C ATOM 1774 CG1 ILE A 114 -9.247 1.554 -5.851 1.00 0.00 C ATOM 1775 CG2 ILE A 114 -10.208 0.105 -7.647 1.00 0.00 C ATOM 1776 CD1 ILE A 114 -9.387 0.516 -4.736 1.00 0.00 C ATOM 0 H ILE A 114 -10.674 1.488 -9.610 1.00 0.00 H new ATOM 0 HA ILE A 114 -10.926 3.429 -7.331 1.00 0.00 H new ATOM 0 HB ILE A 114 -11.345 1.349 -6.308 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -8.292 1.428 -6.361 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -9.253 2.559 -5.429 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -10.200 -0.747 -6.967 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -11.026 -0.007 -8.358 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -9.262 0.148 -8.186 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -8.566 0.630 -4.028 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -10.335 0.663 -4.219 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -9.359 -0.485 -5.166 1.00 0.00 H new ATOM 1788 N TYR A 115 -8.406 3.868 -7.329 1.00 0.00 N ATOM 1789 CA TYR A 115 -7.004 4.305 -7.580 1.00 0.00 C ATOM 1790 C TYR A 115 -6.172 4.070 -6.317 1.00 0.00 C ATOM 1791 O TYR A 115 -6.100 4.912 -5.444 1.00 0.00 O ATOM 1792 CB TYR A 115 -6.987 5.794 -7.935 1.00 0.00 C ATOM 1793 CG TYR A 115 -5.642 6.383 -7.581 1.00 0.00 C ATOM 1794 CD1 TYR A 115 -4.539 6.162 -8.414 1.00 0.00 C ATOM 1795 CD2 TYR A 115 -5.498 7.150 -6.419 1.00 0.00 C ATOM 1796 CE1 TYR A 115 -3.292 6.707 -8.084 1.00 0.00 C ATOM 1797 CE2 TYR A 115 -4.252 7.696 -6.089 1.00 0.00 C ATOM 1798 CZ TYR A 115 -3.149 7.474 -6.922 1.00 0.00 C ATOM 1799 OH TYR A 115 -1.920 8.012 -6.596 1.00 0.00 O ATOM 0 H TYR A 115 -8.854 4.294 -6.518 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.584 3.734 -8.408 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -7.185 5.927 -8.999 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.777 6.316 -7.396 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -4.650 5.571 -9.311 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -6.349 7.321 -5.776 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -2.441 6.536 -8.726 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -4.142 8.288 -5.192 1.00 0.00 H new ATOM 0 HH TYR A 115 -1.328 7.972 -7.376 1.00 0.00 H new ATOM 1809 N ASP A 116 -5.546 2.931 -6.212 1.00 0.00 N ATOM 1810 CA ASP A 116 -4.725 2.643 -5.002 1.00 0.00 C ATOM 1811 C ASP A 116 -3.449 1.903 -5.409 1.00 0.00 C ATOM 1812 O ASP A 116 -3.240 0.764 -5.043 1.00 0.00 O ATOM 1813 CB ASP A 116 -5.534 1.772 -4.037 1.00 0.00 C ATOM 1814 CG ASP A 116 -5.001 1.950 -2.614 1.00 0.00 C ATOM 1815 OD1 ASP A 116 -5.167 3.030 -2.072 1.00 0.00 O ATOM 1816 OD2 ASP A 116 -4.438 1.002 -2.091 1.00 0.00 O ATOM 0 H ASP A 116 -5.567 2.188 -6.910 1.00 0.00 H new ATOM 0 HA ASP A 116 -4.457 3.580 -4.514 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.588 2.048 -4.078 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -5.467 0.725 -4.333 1.00 0.00 H new ATOM 1821 N GLY A 117 -2.593 2.540 -6.163 1.00 0.00 N ATOM 1822 CA GLY A 117 -1.334 1.865 -6.587 1.00 0.00 C ATOM 1823 C GLY A 117 -0.532 2.788 -7.508 1.00 0.00 C ATOM 1824 O GLY A 117 -0.618 2.701 -8.717 1.00 0.00 O ATOM 0 H GLY A 117 -2.711 3.495 -6.502 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -0.739 1.604 -5.712 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -1.567 0.934 -7.104 1.00 0.00 H new ATOM 1828 N TRP A 118 0.254 3.666 -6.947 1.00 0.00 N ATOM 1829 CA TRP A 118 1.068 4.586 -7.790 1.00 0.00 C ATOM 1830 C TRP A 118 2.552 4.373 -7.475 1.00 0.00 C ATOM 1831 O TRP A 118 2.917 4.055 -6.361 1.00 0.00 O ATOM 1832 CB TRP A 118 0.671 6.038 -7.491 1.00 0.00 C ATOM 1833 CG TRP A 118 1.542 6.591 -6.408 1.00 0.00 C ATOM 1834 CD1 TRP A 118 1.293 6.494 -5.082 1.00 0.00 C ATOM 1835 CD2 TRP A 118 2.797 7.321 -6.536 1.00 0.00 C ATOM 1836 NE1 TRP A 118 2.314 7.119 -4.388 1.00 0.00 N ATOM 1837 CE2 TRP A 118 3.265 7.644 -5.241 1.00 0.00 C ATOM 1838 CE3 TRP A 118 3.564 7.730 -7.641 1.00 0.00 C ATOM 1839 CZ2 TRP A 118 4.454 8.348 -5.049 1.00 0.00 C ATOM 1840 CZ3 TRP A 118 4.762 8.439 -7.451 1.00 0.00 C ATOM 1841 CH2 TRP A 118 5.206 8.747 -6.158 1.00 0.00 C ATOM 0 H TRP A 118 0.367 3.786 -5.940 1.00 0.00 H new ATOM 0 HA TRP A 118 0.889 4.379 -8.845 1.00 0.00 H new ATOM 0 HB2 TRP A 118 0.768 6.644 -8.392 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -0.375 6.083 -7.187 1.00 0.00 H new ATOM 0 HD1 TRP A 118 0.437 6.008 -4.638 1.00 0.00 H new ATOM 0 HE1 TRP A 118 2.359 7.184 -3.371 1.00 0.00 H new ATOM 0 HE3 TRP A 118 3.230 7.498 -8.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 4.791 8.583 -4.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 5.344 8.748 -8.306 1.00 0.00 H new ATOM 0 HH2 TRP A 118 6.128 9.292 -6.018 1.00 0.00 H new ATOM 1852 N GLY A 119 3.413 4.542 -8.443 1.00 0.00 N ATOM 1853 CA GLY A 119 4.867 4.343 -8.180 1.00 0.00 C ATOM 1854 C GLY A 119 5.694 5.010 -9.280 1.00 0.00 C ATOM 1855 O GLY A 119 5.250 5.158 -10.402 1.00 0.00 O ATOM 0 H GLY A 119 3.174 4.808 -9.398 1.00 0.00 H new ATOM 0 HA2 GLY A 119 5.130 4.764 -7.210 1.00 0.00 H new ATOM 0 HA3 GLY A 119 5.095 3.278 -8.138 1.00 0.00 H new ATOM 1859 N THR A 120 6.896 5.410 -8.967 1.00 0.00 N ATOM 1860 CA THR A 120 7.758 6.064 -9.991 1.00 0.00 C ATOM 1861 C THR A 120 9.167 5.470 -9.922 1.00 0.00 C ATOM 1862 O THR A 120 9.565 4.910 -8.920 1.00 0.00 O ATOM 1863 CB THR A 120 7.826 7.569 -9.718 1.00 0.00 C ATOM 1864 OG1 THR A 120 8.696 8.179 -10.661 1.00 0.00 O ATOM 1865 CG2 THR A 120 8.353 7.811 -8.303 1.00 0.00 C ATOM 0 H THR A 120 7.319 5.312 -8.044 1.00 0.00 H new ATOM 0 HA THR A 120 7.338 5.894 -10.982 1.00 0.00 H new ATOM 0 HB THR A 120 6.829 8.001 -9.809 1.00 0.00 H new ATOM 0 HG1 THR A 120 8.262 8.201 -11.540 1.00 0.00 H new ATOM 0 HG21 THR A 120 8.401 8.883 -8.111 1.00 0.00 H new ATOM 0 HG22 THR A 120 7.685 7.342 -7.581 1.00 0.00 H new ATOM 0 HG23 THR A 120 9.350 7.381 -8.207 1.00 0.00 H new ATOM 1873 N TYR A 121 9.924 5.584 -10.978 1.00 0.00 N ATOM 1874 CA TYR A 121 11.305 5.022 -10.967 1.00 0.00 C ATOM 1875 C TYR A 121 12.292 6.078 -11.471 1.00 0.00 C ATOM 1876 O TYR A 121 11.919 7.020 -12.142 1.00 0.00 O ATOM 1877 CB TYR A 121 11.362 3.792 -11.876 1.00 0.00 C ATOM 1878 CG TYR A 121 10.402 2.744 -11.363 1.00 0.00 C ATOM 1879 CD1 TYR A 121 10.542 2.242 -10.063 1.00 0.00 C ATOM 1880 CD2 TYR A 121 9.372 2.275 -12.188 1.00 0.00 C ATOM 1881 CE1 TYR A 121 9.652 1.271 -9.588 1.00 0.00 C ATOM 1882 CE2 TYR A 121 8.483 1.304 -11.712 1.00 0.00 C ATOM 1883 CZ TYR A 121 8.623 0.802 -10.413 1.00 0.00 C ATOM 1884 OH TYR A 121 7.747 -0.156 -9.944 1.00 0.00 O ATOM 0 H TYR A 121 9.647 6.041 -11.847 1.00 0.00 H new ATOM 0 HA TYR A 121 11.572 4.734 -9.950 1.00 0.00 H new ATOM 0 HB2 TYR A 121 11.103 4.069 -12.898 1.00 0.00 H new ATOM 0 HB3 TYR A 121 12.375 3.391 -11.901 1.00 0.00 H new ATOM 0 HD1 TYR A 121 11.336 2.604 -9.427 1.00 0.00 H new ATOM 0 HD2 TYR A 121 9.264 2.662 -13.190 1.00 0.00 H new ATOM 0 HE1 TYR A 121 9.759 0.884 -8.585 1.00 0.00 H new ATOM 0 HE2 TYR A 121 7.688 0.942 -12.348 1.00 0.00 H new ATOM 0 HH TYR A 121 7.093 -0.370 -10.641 1.00 0.00 H new