USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 663 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 90 THR OG1 : rot 180:sc= -1.04 USER MOD Set 1.2: A 93 GLN : amide:sc= 0 X(o=-1,f=-1.3) USER MOD Single : A 35 LYS NZ :NH3+ 155:sc= -1 (180deg=-2.96!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 30:sc= -3.05 USER MOD Single : A 53 SER OG : rot 180:sc= -1.4! USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.246 USER MOD Single : A 59 GLN : amide:sc= -0.337 K(o=-0.34,f=-3.1!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.394 X(o=-0.39,f=-0.76) USER MOD Single : A 81 ASN : amide:sc= -0.048 X(o=-0.048,f=-0.13) USER MOD Single : A 82 ASN : amide:sc= -0.693 X(o=-0.69,f=-0.88) USER MOD Single : A 87 THR OG1 : rot -93:sc= 0.145 USER MOD Single : A 88 SER OG : rot -53:sc= 0.219 USER MOD Single : A 91 MET CE :methyl -118:sc= -7.37! (180deg=-8.69!) USER MOD Single : A 95 TYR OH : rot 99:sc= -1.76! USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 98 HIS : no HD1:sc= -12.2! C(o=-12!,f=-12!) USER MOD Single : A 99 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-2!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot -50:sc= -4.02! USER MOD Single : A 110 SER OG : rot 180:sc= -0.391 USER MOD ----------------------------------------------------------------- ATOM 177 N ARG A 28 2.847 14.921 1.298 1.00 0.00 N ATOM 178 CA ARG A 28 3.167 13.464 1.285 1.00 0.00 C ATOM 179 C ARG A 28 1.889 12.650 1.063 1.00 0.00 C ATOM 180 O ARG A 28 0.832 13.195 0.818 1.00 0.00 O ATOM 181 CB ARG A 28 3.760 13.169 2.663 1.00 0.00 C ATOM 182 CG ARG A 28 5.234 13.580 2.685 1.00 0.00 C ATOM 183 CD ARG A 28 5.360 15.054 2.296 1.00 0.00 C ATOM 184 NE ARG A 28 6.808 15.371 2.444 1.00 0.00 N ATOM 185 CZ ARG A 28 7.669 14.921 1.571 1.00 0.00 C ATOM 186 NH1 ARG A 28 7.331 14.806 0.316 1.00 0.00 N ATOM 187 NH2 ARG A 28 8.872 14.587 1.955 1.00 0.00 N ATOM 0 HA ARG A 28 3.859 13.200 0.485 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.209 13.712 3.431 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.664 12.108 2.892 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.653 13.418 3.678 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.805 12.961 1.994 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.022 15.222 1.274 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.750 15.686 2.942 1.00 0.00 H new ATOM 0 HE ARG A 28 7.127 15.940 3.228 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.392 15.068 0.015 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.005 14.454 -0.364 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.138 14.678 2.936 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.545 14.235 1.274 1.00 0.00 H new ATOM 199 N VAL A 29 1.976 11.352 1.148 1.00 0.00 N ATOM 200 CA VAL A 29 0.762 10.514 0.941 1.00 0.00 C ATOM 201 C VAL A 29 0.656 9.448 2.037 1.00 0.00 C ATOM 202 O VAL A 29 1.361 8.454 2.013 1.00 0.00 O ATOM 203 CB VAL A 29 0.953 9.862 -0.431 1.00 0.00 C ATOM 204 CG1 VAL A 29 -0.010 8.683 -0.577 1.00 0.00 C ATOM 205 CG2 VAL A 29 0.664 10.890 -1.528 1.00 0.00 C ATOM 0 H VAL A 29 2.832 10.836 1.351 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.155 11.102 0.985 1.00 0.00 H new ATOM 0 HB VAL A 29 1.979 9.507 -0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.127 8.220 -1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.192 7.950 0.204 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.036 9.038 -0.485 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.800 10.427 -2.505 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.363 11.244 -1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.349 11.732 -1.427 1.00 0.00 H new ATOM 215 N PRO A 30 -0.236 9.695 2.959 1.00 0.00 N ATOM 216 CA PRO A 30 -0.466 8.750 4.076 1.00 0.00 C ATOM 217 C PRO A 30 -1.269 7.546 3.577 1.00 0.00 C ATOM 218 O PRO A 30 -2.483 7.514 3.663 1.00 0.00 O ATOM 219 CB PRO A 30 -1.279 9.567 5.076 1.00 0.00 C ATOM 220 CG PRO A 30 -1.961 10.618 4.259 1.00 0.00 C ATOM 221 CD PRO A 30 -1.105 10.873 3.043 1.00 0.00 C ATOM 0 HA PRO A 30 0.453 8.356 4.509 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -2.003 8.942 5.599 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.637 10.013 5.835 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -2.957 10.288 3.964 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.086 11.533 4.838 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.713 10.984 2.145 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -0.524 11.789 3.150 1.00 0.00 H new ATOM 229 N VAL A 31 -0.604 6.567 3.033 1.00 0.00 N ATOM 230 CA VAL A 31 -1.320 5.379 2.509 1.00 0.00 C ATOM 231 C VAL A 31 -1.734 4.443 3.649 1.00 0.00 C ATOM 232 O VAL A 31 -1.077 4.353 4.667 1.00 0.00 O ATOM 233 CB VAL A 31 -0.311 4.692 1.581 1.00 0.00 C ATOM 234 CG1 VAL A 31 0.460 5.742 0.778 1.00 0.00 C ATOM 235 CG2 VAL A 31 0.678 3.854 2.395 1.00 0.00 C ATOM 0 H VAL A 31 0.410 6.541 2.930 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.239 5.651 1.989 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.858 4.040 0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.175 5.246 0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.238 6.327 0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.993 6.403 1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.388 3.373 1.722 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.217 4.499 3.089 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.135 3.092 2.955 1.00 0.00 H new ATOM 245 N ILE A 32 -2.812 3.729 3.472 1.00 0.00 N ATOM 246 CA ILE A 32 -3.258 2.778 4.527 1.00 0.00 C ATOM 247 C ILE A 32 -2.966 1.354 4.057 1.00 0.00 C ATOM 248 O ILE A 32 -2.767 1.113 2.882 1.00 0.00 O ATOM 249 CB ILE A 32 -4.760 3.009 4.683 1.00 0.00 C ATOM 250 CG1 ILE A 32 -5.001 4.412 5.243 1.00 0.00 C ATOM 251 CG2 ILE A 32 -5.339 1.971 5.646 1.00 0.00 C ATOM 252 CD1 ILE A 32 -4.380 4.521 6.637 1.00 0.00 C ATOM 0 H ILE A 32 -3.403 3.764 2.641 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.746 2.926 5.478 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.246 2.914 3.712 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.565 5.159 4.580 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.071 4.616 5.293 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.411 2.136 5.757 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.165 0.970 5.250 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.854 2.066 6.618 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.552 5.521 7.035 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.837 3.784 7.297 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.308 4.336 6.573 1.00 0.00 H new ATOM 264 N VAL A 33 -2.917 0.410 4.950 1.00 0.00 N ATOM 265 CA VAL A 33 -2.610 -0.980 4.521 1.00 0.00 C ATOM 266 C VAL A 33 -3.562 -1.987 5.172 1.00 0.00 C ATOM 267 O VAL A 33 -3.922 -1.877 6.327 1.00 0.00 O ATOM 268 CB VAL A 33 -1.155 -1.196 4.961 1.00 0.00 C ATOM 269 CG1 VAL A 33 -0.898 -2.669 5.303 1.00 0.00 C ATOM 270 CG2 VAL A 33 -0.226 -0.777 3.820 1.00 0.00 C ATOM 0 H VAL A 33 -3.074 0.538 5.950 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.738 -1.126 3.448 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.965 -0.596 5.851 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.140 -2.795 5.612 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.558 -2.974 6.115 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.093 -3.286 4.426 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.811 -0.926 4.122 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.438 -1.381 2.938 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.388 0.275 3.587 1.00 0.00 H new ATOM 280 N GLU A 34 -3.957 -2.973 4.419 1.00 0.00 N ATOM 281 CA GLU A 34 -4.875 -4.022 4.941 1.00 0.00 C ATOM 282 C GLU A 34 -4.708 -5.296 4.106 1.00 0.00 C ATOM 283 O GLU A 34 -3.988 -5.312 3.125 1.00 0.00 O ATOM 284 CB GLU A 34 -6.283 -3.448 4.772 1.00 0.00 C ATOM 285 CG GLU A 34 -7.062 -3.614 6.078 1.00 0.00 C ATOM 286 CD GLU A 34 -8.445 -4.193 5.778 1.00 0.00 C ATOM 287 OE1 GLU A 34 -9.332 -3.421 5.455 1.00 0.00 O ATOM 288 OE2 GLU A 34 -8.593 -5.401 5.877 1.00 0.00 O ATOM 0 H GLU A 34 -3.677 -3.099 3.446 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.674 -4.279 5.981 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.227 -2.394 4.501 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.800 -3.959 3.960 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.520 -4.273 6.756 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.160 -2.651 6.580 1.00 0.00 H new ATOM 295 N LYS A 35 -5.358 -6.363 4.473 1.00 0.00 N ATOM 296 CA LYS A 35 -5.214 -7.615 3.679 1.00 0.00 C ATOM 297 C LYS A 35 -6.549 -8.005 3.047 1.00 0.00 C ATOM 298 O LYS A 35 -7.603 -7.587 3.484 1.00 0.00 O ATOM 299 CB LYS A 35 -4.772 -8.683 4.676 1.00 0.00 C ATOM 300 CG LYS A 35 -3.547 -9.417 4.127 1.00 0.00 C ATOM 301 CD LYS A 35 -2.371 -8.445 4.018 1.00 0.00 C ATOM 302 CE LYS A 35 -2.091 -7.822 5.389 1.00 0.00 C ATOM 303 NZ LYS A 35 -2.168 -8.956 6.353 1.00 0.00 N ATOM 0 H LYS A 35 -5.978 -6.424 5.281 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.498 -7.495 2.866 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.534 -8.224 5.636 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.583 -9.389 4.853 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.285 -10.248 4.782 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.773 -9.841 3.149 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.486 -8.969 3.657 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.597 -7.664 3.292 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.109 -7.349 5.414 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.823 -7.050 5.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.600 -8.734 7.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.158 -9.107 6.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.799 -9.819 5.904 1.00 0.00 H new ATOM 317 N ALA A 36 -6.506 -8.813 2.028 1.00 0.00 N ATOM 318 CA ALA A 36 -7.768 -9.250 1.366 1.00 0.00 C ATOM 319 C ALA A 36 -8.592 -10.091 2.346 1.00 0.00 C ATOM 320 O ALA A 36 -8.227 -10.222 3.497 1.00 0.00 O ATOM 321 CB ALA A 36 -7.314 -10.089 0.169 1.00 0.00 C ATOM 0 H ALA A 36 -5.650 -9.192 1.622 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.396 -8.416 1.053 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.187 -10.450 -0.374 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.702 -9.477 -0.494 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.729 -10.938 0.521 1.00 0.00 H new ATOM 327 N PRO A 37 -9.676 -10.641 1.863 1.00 0.00 N ATOM 328 CA PRO A 37 -10.538 -11.478 2.731 1.00 0.00 C ATOM 329 C PRO A 37 -9.838 -12.804 3.038 1.00 0.00 C ATOM 330 O PRO A 37 -9.667 -13.643 2.176 1.00 0.00 O ATOM 331 CB PRO A 37 -11.795 -11.692 1.893 1.00 0.00 C ATOM 332 CG PRO A 37 -11.352 -11.515 0.477 1.00 0.00 C ATOM 333 CD PRO A 37 -10.196 -10.546 0.493 1.00 0.00 C ATOM 0 HA PRO A 37 -10.760 -11.022 3.696 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -12.212 -12.686 2.054 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.572 -10.974 2.156 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.049 -12.469 0.046 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.167 -11.132 -0.137 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.438 -10.816 -0.242 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.521 -9.532 0.258 1.00 0.00 H new ATOM 341 N LYS A 38 -9.425 -12.994 4.261 1.00 0.00 N ATOM 342 CA LYS A 38 -8.729 -14.257 4.627 1.00 0.00 C ATOM 343 C LYS A 38 -7.404 -14.366 3.867 1.00 0.00 C ATOM 344 O LYS A 38 -7.049 -15.414 3.365 1.00 0.00 O ATOM 345 CB LYS A 38 -9.688 -15.369 4.208 1.00 0.00 C ATOM 346 CG LYS A 38 -10.178 -16.111 5.452 1.00 0.00 C ATOM 347 CD LYS A 38 -8.990 -16.773 6.152 1.00 0.00 C ATOM 348 CE LYS A 38 -9.400 -18.157 6.659 1.00 0.00 C ATOM 349 NZ LYS A 38 -9.619 -17.981 8.122 1.00 0.00 N ATOM 0 H LYS A 38 -9.540 -12.326 5.024 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.488 -14.309 5.689 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.534 -14.949 3.664 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.187 -16.061 3.532 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.673 -15.417 6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.915 -16.864 5.173 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.151 -16.861 5.462 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.654 -16.154 6.984 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.306 -18.507 6.163 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.623 -18.896 6.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.903 -18.889 8.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.738 -17.654 8.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.368 -17.277 8.279 1.00 0.00 H new ATOM 363 N ALA A 39 -6.667 -13.289 3.780 1.00 0.00 N ATOM 364 CA ALA A 39 -5.366 -13.332 3.055 1.00 0.00 C ATOM 365 C ALA A 39 -4.457 -14.398 3.671 1.00 0.00 C ATOM 366 O ALA A 39 -4.826 -15.072 4.612 1.00 0.00 O ATOM 367 CB ALA A 39 -4.762 -11.940 3.238 1.00 0.00 C ATOM 0 H ALA A 39 -6.911 -12.383 4.180 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.487 -13.586 2.002 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.799 -11.892 2.731 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.433 -11.193 2.814 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.623 -11.741 4.301 1.00 0.00 H new ATOM 373 N ARG A 40 -3.271 -14.560 3.149 1.00 0.00 N ATOM 374 CA ARG A 40 -2.349 -15.588 3.712 1.00 0.00 C ATOM 375 C ARG A 40 -0.889 -15.165 3.530 1.00 0.00 C ATOM 376 O ARG A 40 -0.022 -15.988 3.316 1.00 0.00 O ATOM 377 CB ARG A 40 -2.639 -16.857 2.911 1.00 0.00 C ATOM 378 CG ARG A 40 -2.193 -16.657 1.461 1.00 0.00 C ATOM 379 CD ARG A 40 -1.282 -17.813 1.042 1.00 0.00 C ATOM 380 NE ARG A 40 -2.201 -18.837 0.473 1.00 0.00 N ATOM 381 CZ ARG A 40 -1.715 -19.880 -0.143 1.00 0.00 C ATOM 382 NH1 ARG A 40 -0.457 -19.904 -0.493 1.00 0.00 N ATOM 383 NH2 ARG A 40 -2.486 -20.898 -0.409 1.00 0.00 N ATOM 0 H ARG A 40 -2.902 -14.028 2.361 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.502 -15.730 4.782 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.114 -17.705 3.351 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.704 -17.087 2.947 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.062 -16.609 0.805 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.665 -15.709 1.359 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.546 -17.490 0.306 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.728 -18.208 1.894 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.211 -18.723 0.565 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.146 -19.108 -0.285 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.077 -20.719 -0.974 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.468 -20.879 -0.136 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.106 -21.713 -0.890 1.00 0.00 H new ATOM 395 N ILE A 41 -0.602 -13.895 3.621 1.00 0.00 N ATOM 396 CA ILE A 41 0.812 -13.452 3.459 1.00 0.00 C ATOM 397 C ILE A 41 1.488 -13.321 4.829 1.00 0.00 C ATOM 398 O ILE A 41 0.875 -13.523 5.859 1.00 0.00 O ATOM 399 CB ILE A 41 0.783 -12.112 2.696 1.00 0.00 C ATOM 400 CG1 ILE A 41 -0.018 -11.029 3.437 1.00 0.00 C ATOM 401 CG2 ILE A 41 0.154 -12.328 1.321 1.00 0.00 C ATOM 402 CD1 ILE A 41 0.732 -10.577 4.683 1.00 0.00 C ATOM 0 H ILE A 41 -1.278 -13.152 3.799 1.00 0.00 H new ATOM 0 HA ILE A 41 1.396 -14.181 2.896 1.00 0.00 H new ATOM 0 HB ILE A 41 1.813 -11.767 2.610 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.188 -10.178 2.778 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.998 -11.418 3.715 1.00 0.00 H new ATOM 0 HG21 ILE A 41 0.132 -11.383 0.779 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.744 -13.054 0.761 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.863 -12.702 1.441 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.153 -9.810 5.198 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.879 -11.428 5.348 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.701 -10.169 4.396 1.00 0.00 H new ATOM 414 N GLY A 42 2.755 -13.013 4.842 1.00 0.00 N ATOM 415 CA GLY A 42 3.496 -12.897 6.137 1.00 0.00 C ATOM 416 C GLY A 42 2.725 -12.021 7.122 1.00 0.00 C ATOM 417 O GLY A 42 1.645 -11.552 6.845 1.00 0.00 O ATOM 0 H GLY A 42 3.315 -12.835 4.008 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.648 -13.888 6.565 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.484 -12.472 5.960 1.00 0.00 H new ATOM 421 N ASP A 43 3.282 -11.798 8.278 1.00 0.00 N ATOM 422 CA ASP A 43 2.589 -10.944 9.284 1.00 0.00 C ATOM 423 C ASP A 43 2.799 -9.468 8.937 1.00 0.00 C ATOM 424 O ASP A 43 3.436 -9.141 7.956 1.00 0.00 O ATOM 425 CB ASP A 43 3.254 -11.284 10.619 1.00 0.00 C ATOM 426 CG ASP A 43 2.304 -10.936 11.767 1.00 0.00 C ATOM 427 OD1 ASP A 43 1.324 -11.643 11.933 1.00 0.00 O ATOM 428 OD2 ASP A 43 2.572 -9.967 12.459 1.00 0.00 O ATOM 0 H ASP A 43 4.186 -12.169 8.571 1.00 0.00 H new ATOM 0 HA ASP A 43 1.514 -11.119 9.314 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.508 -12.344 10.651 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.187 -10.730 10.724 1.00 0.00 H new ATOM 433 N LEU A 44 2.274 -8.576 9.728 1.00 0.00 N ATOM 434 CA LEU A 44 2.454 -7.126 9.429 1.00 0.00 C ATOM 435 C LEU A 44 2.812 -6.359 10.702 1.00 0.00 C ATOM 436 O LEU A 44 2.177 -6.503 11.729 1.00 0.00 O ATOM 437 CB LEU A 44 1.103 -6.651 8.897 1.00 0.00 C ATOM 438 CG LEU A 44 1.164 -6.503 7.374 1.00 0.00 C ATOM 439 CD1 LEU A 44 2.257 -5.501 6.998 1.00 0.00 C ATOM 440 CD2 LEU A 44 1.476 -7.860 6.740 1.00 0.00 C ATOM 0 H LEU A 44 1.730 -8.785 10.565 1.00 0.00 H new ATOM 0 HA LEU A 44 3.259 -6.959 8.713 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.324 -7.363 9.171 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.838 -5.697 9.353 1.00 0.00 H new ATOM 0 HG LEU A 44 0.202 -6.143 7.008 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.298 -5.398 5.914 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.033 -4.533 7.447 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.219 -5.857 7.365 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.519 -7.754 5.656 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.436 -8.221 7.108 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.695 -8.573 7.004 1.00 0.00 H new ATOM 452 N ASP A 45 3.820 -5.538 10.638 1.00 0.00 N ATOM 453 CA ASP A 45 4.220 -4.747 11.837 1.00 0.00 C ATOM 454 C ASP A 45 3.412 -3.450 11.892 1.00 0.00 C ATOM 455 O ASP A 45 3.159 -2.905 12.949 1.00 0.00 O ATOM 456 CB ASP A 45 5.706 -4.445 11.637 1.00 0.00 C ATOM 457 CG ASP A 45 6.505 -5.748 11.695 1.00 0.00 C ATOM 458 OD1 ASP A 45 6.005 -6.749 11.209 1.00 0.00 O ATOM 459 OD2 ASP A 45 7.604 -5.722 12.223 1.00 0.00 O ATOM 0 H ASP A 45 4.387 -5.379 9.805 1.00 0.00 H new ATOM 0 HA ASP A 45 4.039 -5.281 12.770 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.862 -3.953 10.677 1.00 0.00 H new ATOM 0 HB3 ASP A 45 6.055 -3.758 12.408 1.00 0.00 H new ATOM 464 N LYS A 46 3.009 -2.954 10.755 1.00 0.00 N ATOM 465 CA LYS A 46 2.219 -1.691 10.724 1.00 0.00 C ATOM 466 C LYS A 46 1.322 -1.670 9.482 1.00 0.00 C ATOM 467 O LYS A 46 1.592 -2.336 8.503 1.00 0.00 O ATOM 468 CB LYS A 46 3.261 -0.576 10.651 1.00 0.00 C ATOM 469 CG LYS A 46 3.825 -0.310 12.048 1.00 0.00 C ATOM 470 CD LYS A 46 5.240 -0.881 12.146 1.00 0.00 C ATOM 471 CE LYS A 46 5.809 -0.599 13.539 1.00 0.00 C ATOM 472 NZ LYS A 46 7.275 -0.834 13.412 1.00 0.00 N ATOM 0 H LYS A 46 3.194 -3.371 9.842 1.00 0.00 H new ATOM 0 HA LYS A 46 1.569 -1.583 11.592 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.065 -0.859 9.971 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.810 0.332 10.251 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.840 0.761 12.248 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.185 -0.766 12.803 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.224 -1.955 11.959 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.878 -0.434 11.384 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.599 0.424 13.851 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.367 -1.258 14.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.735 -0.660 14.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.445 -1.818 13.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.670 -0.188 12.699 1.00 0.00 H new ATOM 486 N LYS A 47 0.262 -0.909 9.510 1.00 0.00 N ATOM 487 CA LYS A 47 -0.636 -0.852 8.321 1.00 0.00 C ATOM 488 C LYS A 47 -0.785 0.593 7.849 1.00 0.00 C ATOM 489 O LYS A 47 -1.864 1.047 7.527 1.00 0.00 O ATOM 490 CB LYS A 47 -1.980 -1.417 8.794 1.00 0.00 C ATOM 491 CG LYS A 47 -2.657 -0.444 9.767 1.00 0.00 C ATOM 492 CD LYS A 47 -2.208 -0.757 11.197 1.00 0.00 C ATOM 493 CE LYS A 47 -3.295 -1.568 11.905 1.00 0.00 C ATOM 494 NZ LYS A 47 -3.084 -1.312 13.357 1.00 0.00 N ATOM 0 H LYS A 47 -0.020 -0.328 10.299 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.243 -1.422 7.479 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.629 -1.594 7.936 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.826 -2.380 9.281 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.398 0.583 9.510 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.741 -0.529 9.688 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.273 -1.317 11.182 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.017 0.168 11.741 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.290 -1.254 11.590 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.208 -2.630 11.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.793 -1.836 13.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.131 -1.627 13.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.180 -0.294 13.548 1.00 0.00 H new ATOM 508 N LYS A 48 0.295 1.319 7.810 1.00 0.00 N ATOM 509 CA LYS A 48 0.225 2.737 7.357 1.00 0.00 C ATOM 510 C LYS A 48 1.611 3.211 6.919 1.00 0.00 C ATOM 511 O LYS A 48 2.487 3.424 7.733 1.00 0.00 O ATOM 512 CB LYS A 48 -0.252 3.520 8.580 1.00 0.00 C ATOM 513 CG LYS A 48 0.530 3.068 9.815 1.00 0.00 C ATOM 514 CD LYS A 48 0.494 4.170 10.875 1.00 0.00 C ATOM 515 CE LYS A 48 0.912 3.592 12.229 1.00 0.00 C ATOM 516 NZ LYS A 48 0.146 4.378 13.235 1.00 0.00 N ATOM 0 H LYS A 48 1.225 0.993 8.072 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.443 2.872 6.506 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.110 4.589 8.418 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.319 3.360 8.734 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.099 2.150 10.215 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.562 2.844 9.543 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.163 4.983 10.593 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.509 4.592 10.942 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.676 2.530 12.295 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.986 3.690 12.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.379 4.040 14.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.396 5.384 13.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.873 4.260 13.065 1.00 0.00 H new ATOM 530 N TYR A 49 1.822 3.375 5.641 1.00 0.00 N ATOM 531 CA TYR A 49 3.161 3.831 5.171 1.00 0.00 C ATOM 532 C TYR A 49 3.123 5.307 4.778 1.00 0.00 C ATOM 533 O TYR A 49 2.170 5.787 4.193 1.00 0.00 O ATOM 534 CB TYR A 49 3.484 2.978 3.945 1.00 0.00 C ATOM 535 CG TYR A 49 3.717 1.547 4.357 1.00 0.00 C ATOM 536 CD1 TYR A 49 2.652 0.771 4.823 1.00 0.00 C ATOM 537 CD2 TYR A 49 5.000 0.999 4.277 1.00 0.00 C ATOM 538 CE1 TYR A 49 2.868 -0.556 5.213 1.00 0.00 C ATOM 539 CE2 TYR A 49 5.219 -0.329 4.663 1.00 0.00 C ATOM 540 CZ TYR A 49 4.153 -1.107 5.133 1.00 0.00 C ATOM 541 OH TYR A 49 4.368 -2.415 5.516 1.00 0.00 O ATOM 0 H TYR A 49 1.131 3.215 4.908 1.00 0.00 H new ATOM 0 HA TYR A 49 3.911 3.724 5.955 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.663 3.030 3.230 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.369 3.369 3.443 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.661 1.196 4.882 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.822 1.600 3.918 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.045 -1.154 5.575 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.210 -0.754 4.598 1.00 0.00 H new ATOM 0 HH TYR A 49 3.556 -2.940 5.358 1.00 0.00 H new ATOM 551 N LEU A 50 4.170 6.017 5.074 1.00 0.00 N ATOM 552 CA LEU A 50 4.237 7.456 4.703 1.00 0.00 C ATOM 553 C LEU A 50 5.122 7.593 3.468 1.00 0.00 C ATOM 554 O LEU A 50 6.333 7.638 3.562 1.00 0.00 O ATOM 555 CB LEU A 50 4.873 8.154 5.906 1.00 0.00 C ATOM 556 CG LEU A 50 4.091 9.425 6.235 1.00 0.00 C ATOM 557 CD1 LEU A 50 2.831 9.061 7.022 1.00 0.00 C ATOM 558 CD2 LEU A 50 4.966 10.358 7.077 1.00 0.00 C ATOM 0 H LEU A 50 4.991 5.660 5.562 1.00 0.00 H new ATOM 0 HA LEU A 50 3.263 7.887 4.471 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.878 7.485 6.767 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.912 8.401 5.688 1.00 0.00 H new ATOM 0 HG LEU A 50 3.808 9.927 5.310 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.274 9.968 7.256 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.208 8.396 6.424 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.113 8.559 7.948 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.409 11.265 7.312 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.249 9.855 8.002 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.864 10.619 6.517 1.00 0.00 H new ATOM 570 N VAL A 51 4.534 7.629 2.307 1.00 0.00 N ATOM 571 CA VAL A 51 5.354 7.727 1.069 1.00 0.00 C ATOM 572 C VAL A 51 5.031 9.013 0.306 1.00 0.00 C ATOM 573 O VAL A 51 3.902 9.459 0.289 1.00 0.00 O ATOM 574 CB VAL A 51 4.961 6.495 0.249 1.00 0.00 C ATOM 575 CG1 VAL A 51 5.146 5.232 1.099 1.00 0.00 C ATOM 576 CG2 VAL A 51 3.496 6.612 -0.175 1.00 0.00 C ATOM 0 H VAL A 51 3.525 7.595 2.161 1.00 0.00 H new ATOM 0 HA VAL A 51 6.423 7.758 1.281 1.00 0.00 H new ATOM 0 HB VAL A 51 5.594 6.432 -0.636 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.866 4.356 0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.189 5.147 1.403 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.514 5.294 1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.215 5.735 -0.759 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.865 6.675 0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.363 7.509 -0.780 1.00 0.00 H new ATOM 586 N PRO A 52 6.043 9.564 -0.308 1.00 0.00 N ATOM 587 CA PRO A 52 5.871 10.811 -1.091 1.00 0.00 C ATOM 588 C PRO A 52 5.062 10.523 -2.362 1.00 0.00 C ATOM 589 O PRO A 52 5.125 9.446 -2.919 1.00 0.00 O ATOM 590 CB PRO A 52 7.304 11.232 -1.415 1.00 0.00 C ATOM 591 CG PRO A 52 8.098 9.969 -1.353 1.00 0.00 C ATOM 592 CD PRO A 52 7.430 9.083 -0.335 1.00 0.00 C ATOM 0 HA PRO A 52 5.326 11.591 -0.560 1.00 0.00 H new ATOM 0 HB2 PRO A 52 7.368 11.691 -2.402 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.672 11.966 -0.698 1.00 0.00 H new ATOM 0 HG2 PRO A 52 8.127 9.483 -2.328 1.00 0.00 H new ATOM 0 HG3 PRO A 52 9.130 10.175 -1.068 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.484 8.033 -0.622 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.903 9.171 0.643 1.00 0.00 H new ATOM 600 N SER A 53 4.288 11.472 -2.805 1.00 0.00 N ATOM 601 CA SER A 53 3.448 11.259 -4.019 1.00 0.00 C ATOM 602 C SER A 53 4.310 11.004 -5.260 1.00 0.00 C ATOM 603 O SER A 53 3.828 10.543 -6.276 1.00 0.00 O ATOM 604 CB SER A 53 2.665 12.560 -4.173 1.00 0.00 C ATOM 605 OG SER A 53 2.646 12.942 -5.543 1.00 0.00 O ATOM 0 H SER A 53 4.199 12.393 -2.376 1.00 0.00 H new ATOM 0 HA SER A 53 2.803 10.386 -3.917 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.647 12.430 -3.806 1.00 0.00 H new ATOM 0 HB3 SER A 53 3.122 13.346 -3.572 1.00 0.00 H new ATOM 0 HG SER A 53 2.142 13.776 -5.643 1.00 0.00 H new ATOM 611 N ASP A 54 5.573 11.312 -5.198 1.00 0.00 N ATOM 612 CA ASP A 54 6.450 11.100 -6.387 1.00 0.00 C ATOM 613 C ASP A 54 6.949 9.650 -6.457 1.00 0.00 C ATOM 614 O ASP A 54 7.478 9.220 -7.462 1.00 0.00 O ATOM 615 CB ASP A 54 7.624 12.059 -6.185 1.00 0.00 C ATOM 616 CG ASP A 54 8.135 12.535 -7.546 1.00 0.00 C ATOM 617 OD1 ASP A 54 7.315 12.921 -8.362 1.00 0.00 O ATOM 618 OD2 ASP A 54 9.337 12.504 -7.749 1.00 0.00 O ATOM 0 H ASP A 54 6.038 11.701 -4.378 1.00 0.00 H new ATOM 0 HA ASP A 54 5.917 11.285 -7.319 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.311 12.912 -5.584 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.424 11.561 -5.638 1.00 0.00 H new ATOM 623 N LEU A 55 6.804 8.895 -5.400 1.00 0.00 N ATOM 624 CA LEU A 55 7.293 7.483 -5.431 1.00 0.00 C ATOM 625 C LEU A 55 6.559 6.659 -6.486 1.00 0.00 C ATOM 626 O LEU A 55 5.373 6.811 -6.704 1.00 0.00 O ATOM 627 CB LEU A 55 6.998 6.902 -4.047 1.00 0.00 C ATOM 628 CG LEU A 55 8.289 6.816 -3.231 1.00 0.00 C ATOM 629 CD1 LEU A 55 8.048 5.953 -1.991 1.00 0.00 C ATOM 630 CD2 LEU A 55 9.399 6.174 -4.069 1.00 0.00 C ATOM 0 H LEU A 55 6.373 9.190 -4.524 1.00 0.00 H new ATOM 0 HA LEU A 55 8.354 7.456 -5.680 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.271 7.527 -3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.554 5.912 -4.146 1.00 0.00 H new ATOM 0 HG LEU A 55 8.589 7.822 -2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.967 5.890 -1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.262 6.401 -1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.744 4.952 -2.298 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.314 6.117 -3.479 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.096 5.170 -4.366 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.578 6.777 -4.959 1.00 0.00 H new ATOM 642 N THR A 56 7.262 5.766 -7.124 1.00 0.00 N ATOM 643 CA THR A 56 6.625 4.897 -8.150 1.00 0.00 C ATOM 644 C THR A 56 6.116 3.609 -7.493 1.00 0.00 C ATOM 645 O THR A 56 6.513 3.259 -6.395 1.00 0.00 O ATOM 646 CB THR A 56 7.739 4.583 -9.150 1.00 0.00 C ATOM 647 OG1 THR A 56 8.952 4.351 -8.447 1.00 0.00 O ATOM 648 CG2 THR A 56 7.920 5.763 -10.105 1.00 0.00 C ATOM 0 H THR A 56 8.258 5.600 -6.977 1.00 0.00 H new ATOM 0 HA THR A 56 5.771 5.375 -8.631 1.00 0.00 H new ATOM 0 HB THR A 56 7.473 3.694 -9.722 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.667 4.148 -9.086 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.714 5.537 -10.816 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.990 5.941 -10.644 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.185 6.654 -9.536 1.00 0.00 H new ATOM 656 N VAL A 57 5.245 2.899 -8.152 1.00 0.00 N ATOM 657 CA VAL A 57 4.719 1.635 -7.563 1.00 0.00 C ATOM 658 C VAL A 57 5.870 0.657 -7.309 1.00 0.00 C ATOM 659 O VAL A 57 5.777 -0.224 -6.479 1.00 0.00 O ATOM 660 CB VAL A 57 3.763 1.079 -8.617 1.00 0.00 C ATOM 661 CG1 VAL A 57 3.283 -0.310 -8.192 1.00 0.00 C ATOM 662 CG2 VAL A 57 2.559 2.014 -8.753 1.00 0.00 C ATOM 0 H VAL A 57 4.874 3.138 -9.072 1.00 0.00 H new ATOM 0 HA VAL A 57 4.221 1.796 -6.607 1.00 0.00 H new ATOM 0 HB VAL A 57 4.280 1.006 -9.574 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.601 -0.705 -8.945 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.140 -0.976 -8.093 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.766 -0.239 -7.235 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.875 1.620 -9.505 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.044 2.085 -7.795 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.900 3.004 -9.056 1.00 0.00 H new ATOM 672 N GLY A 58 6.956 0.807 -8.019 1.00 0.00 N ATOM 673 CA GLY A 58 8.113 -0.111 -7.819 1.00 0.00 C ATOM 674 C GLY A 58 8.768 0.169 -6.463 1.00 0.00 C ATOM 675 O GLY A 58 9.263 -0.726 -5.807 1.00 0.00 O ATOM 0 H GLY A 58 7.091 1.526 -8.729 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.779 -1.148 -7.865 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.840 0.025 -8.620 1.00 0.00 H new ATOM 679 N GLN A 59 8.776 1.403 -6.035 1.00 0.00 N ATOM 680 CA GLN A 59 9.402 1.730 -4.719 1.00 0.00 C ATOM 681 C GLN A 59 8.506 1.238 -3.582 1.00 0.00 C ATOM 682 O GLN A 59 8.960 0.608 -2.641 1.00 0.00 O ATOM 683 CB GLN A 59 9.514 3.253 -4.694 1.00 0.00 C ATOM 684 CG GLN A 59 10.358 3.719 -5.881 1.00 0.00 C ATOM 685 CD GLN A 59 11.806 3.921 -5.432 1.00 0.00 C ATOM 686 OE1 GLN A 59 12.076 4.065 -4.256 1.00 0.00 O ATOM 687 NE2 GLN A 59 12.757 3.937 -6.325 1.00 0.00 N ATOM 0 H GLN A 59 8.378 2.197 -6.537 1.00 0.00 H new ATOM 0 HA GLN A 59 10.374 1.254 -4.593 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.522 3.703 -4.740 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.969 3.580 -3.759 1.00 0.00 H new ATOM 0 HG2 GLN A 59 10.315 2.982 -6.683 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.958 4.650 -6.282 1.00 0.00 H new ATOM 0 HE21 GLN A 59 12.531 3.816 -7.312 1.00 0.00 H new ATOM 0 HE22 GLN A 59 13.726 4.070 -6.036 1.00 0.00 H new ATOM 696 N PHE A 60 7.235 1.515 -3.659 1.00 0.00 N ATOM 697 CA PHE A 60 6.324 1.049 -2.576 1.00 0.00 C ATOM 698 C PHE A 60 6.359 -0.479 -2.499 1.00 0.00 C ATOM 699 O PHE A 60 6.494 -1.049 -1.438 1.00 0.00 O ATOM 700 CB PHE A 60 4.926 1.539 -2.961 1.00 0.00 C ATOM 701 CG PHE A 60 3.995 1.326 -1.789 1.00 0.00 C ATOM 702 CD1 PHE A 60 4.341 1.823 -0.526 1.00 0.00 C ATOM 703 CD2 PHE A 60 2.800 0.618 -1.957 1.00 0.00 C ATOM 704 CE1 PHE A 60 3.491 1.615 0.568 1.00 0.00 C ATOM 705 CE2 PHE A 60 1.952 0.407 -0.863 1.00 0.00 C ATOM 706 CZ PHE A 60 2.300 0.906 0.400 1.00 0.00 C ATOM 0 H PHE A 60 6.791 2.037 -4.414 1.00 0.00 H new ATOM 0 HA PHE A 60 6.618 1.434 -1.599 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.957 2.595 -3.231 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.563 0.997 -3.834 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.265 2.367 -0.395 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.532 0.234 -2.930 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.757 2.003 1.540 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.030 -0.140 -0.992 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.646 0.742 1.244 1.00 0.00 H new ATOM 716 N TYR A 61 6.258 -1.151 -3.613 1.00 0.00 N ATOM 717 CA TYR A 61 6.301 -2.637 -3.586 1.00 0.00 C ATOM 718 C TYR A 61 7.517 -3.108 -2.790 1.00 0.00 C ATOM 719 O TYR A 61 7.560 -4.218 -2.297 1.00 0.00 O ATOM 720 CB TYR A 61 6.418 -3.042 -5.051 1.00 0.00 C ATOM 721 CG TYR A 61 5.359 -4.066 -5.372 1.00 0.00 C ATOM 722 CD1 TYR A 61 5.372 -5.312 -4.735 1.00 0.00 C ATOM 723 CD2 TYR A 61 4.361 -3.765 -6.304 1.00 0.00 C ATOM 724 CE1 TYR A 61 4.385 -6.260 -5.032 1.00 0.00 C ATOM 725 CE2 TYR A 61 3.373 -4.713 -6.603 1.00 0.00 C ATOM 726 CZ TYR A 61 3.386 -5.960 -5.966 1.00 0.00 C ATOM 727 OH TYR A 61 2.413 -6.893 -6.259 1.00 0.00 O ATOM 0 H TYR A 61 6.148 -0.735 -4.538 1.00 0.00 H new ATOM 0 HA TYR A 61 5.425 -3.079 -3.110 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.301 -2.168 -5.692 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.408 -3.452 -5.249 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.143 -5.542 -4.015 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.352 -2.802 -6.793 1.00 0.00 H new ATOM 0 HE1 TYR A 61 4.394 -7.222 -4.541 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.603 -4.482 -7.324 1.00 0.00 H new ATOM 0 HH TYR A 61 1.797 -6.525 -6.926 1.00 0.00 H new ATOM 737 N PHE A 62 8.501 -2.268 -2.657 1.00 0.00 N ATOM 738 CA PHE A 62 9.714 -2.657 -1.891 1.00 0.00 C ATOM 739 C PHE A 62 9.467 -2.504 -0.386 1.00 0.00 C ATOM 740 O PHE A 62 9.667 -3.427 0.379 1.00 0.00 O ATOM 741 CB PHE A 62 10.802 -1.688 -2.356 1.00 0.00 C ATOM 742 CG PHE A 62 12.121 -2.416 -2.455 1.00 0.00 C ATOM 743 CD1 PHE A 62 12.408 -3.198 -3.582 1.00 0.00 C ATOM 744 CD2 PHE A 62 13.059 -2.307 -1.422 1.00 0.00 C ATOM 745 CE1 PHE A 62 13.632 -3.870 -3.673 1.00 0.00 C ATOM 746 CE2 PHE A 62 14.284 -2.980 -1.514 1.00 0.00 C ATOM 747 CZ PHE A 62 14.570 -3.761 -2.640 1.00 0.00 C ATOM 0 H PHE A 62 8.518 -1.326 -3.047 1.00 0.00 H new ATOM 0 HA PHE A 62 9.992 -3.697 -2.061 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.536 -1.264 -3.324 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.886 -0.857 -1.656 1.00 0.00 H new ATOM 0 HD1 PHE A 62 11.685 -3.282 -4.380 1.00 0.00 H new ATOM 0 HD2 PHE A 62 12.838 -1.704 -0.554 1.00 0.00 H new ATOM 0 HE1 PHE A 62 13.853 -4.473 -4.541 1.00 0.00 H new ATOM 0 HE2 PHE A 62 15.008 -2.896 -0.717 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.515 -4.280 -2.712 1.00 0.00 H new ATOM 757 N LEU A 63 9.059 -1.340 0.054 1.00 0.00 N ATOM 758 CA LEU A 63 8.840 -1.151 1.525 1.00 0.00 C ATOM 759 C LEU A 63 7.775 -2.114 2.088 1.00 0.00 C ATOM 760 O LEU A 63 7.758 -2.378 3.273 1.00 0.00 O ATOM 761 CB LEU A 63 8.449 0.322 1.747 1.00 0.00 C ATOM 762 CG LEU A 63 7.287 0.757 0.849 1.00 0.00 C ATOM 763 CD1 LEU A 63 5.956 0.361 1.488 1.00 0.00 C ATOM 764 CD2 LEU A 63 7.339 2.280 0.698 1.00 0.00 C ATOM 0 H LEU A 63 8.870 -0.524 -0.528 1.00 0.00 H new ATOM 0 HA LEU A 63 9.756 -1.387 2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.173 0.469 2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.313 0.958 1.553 1.00 0.00 H new ATOM 0 HG LEU A 63 7.371 0.272 -0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.135 0.674 0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.923 -0.721 1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.860 0.847 2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.519 2.611 0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.247 2.746 1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.288 2.569 0.246 1.00 0.00 H new ATOM 776 N ILE A 64 6.914 -2.679 1.276 1.00 0.00 N ATOM 777 CA ILE A 64 5.919 -3.650 1.848 1.00 0.00 C ATOM 778 C ILE A 64 6.484 -5.063 1.748 1.00 0.00 C ATOM 779 O ILE A 64 6.309 -5.878 2.629 1.00 0.00 O ATOM 780 CB ILE A 64 4.638 -3.576 1.012 1.00 0.00 C ATOM 781 CG1 ILE A 64 4.380 -2.153 0.530 1.00 0.00 C ATOM 782 CG2 ILE A 64 3.453 -4.043 1.865 1.00 0.00 C ATOM 783 CD1 ILE A 64 2.965 -2.066 -0.044 1.00 0.00 C ATOM 0 H ILE A 64 6.853 -2.519 0.270 1.00 0.00 H new ATOM 0 HA ILE A 64 5.713 -3.406 2.890 1.00 0.00 H new ATOM 0 HB ILE A 64 4.755 -4.220 0.140 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.495 -1.450 1.355 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.111 -1.875 -0.229 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.538 -3.993 1.275 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.620 -5.070 2.188 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.357 -3.399 2.739 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.775 -1.050 -0.390 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.868 -2.759 -0.880 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.242 -2.327 0.729 1.00 0.00 H new ATOM 795 N ARG A 65 7.150 -5.356 0.661 1.00 0.00 N ATOM 796 CA ARG A 65 7.731 -6.721 0.468 1.00 0.00 C ATOM 797 C ARG A 65 8.258 -7.278 1.795 1.00 0.00 C ATOM 798 O ARG A 65 7.795 -8.293 2.277 1.00 0.00 O ATOM 799 CB ARG A 65 8.876 -6.527 -0.527 1.00 0.00 C ATOM 800 CG ARG A 65 8.439 -7.019 -1.909 1.00 0.00 C ATOM 801 CD ARG A 65 9.659 -7.108 -2.829 1.00 0.00 C ATOM 802 NE ARG A 65 9.095 -7.313 -4.193 1.00 0.00 N ATOM 803 CZ ARG A 65 9.766 -6.923 -5.242 1.00 0.00 C ATOM 804 NH1 ARG A 65 10.281 -5.724 -5.280 1.00 0.00 N ATOM 805 NH2 ARG A 65 9.923 -7.733 -6.253 1.00 0.00 N ATOM 0 H ARG A 65 7.318 -4.705 -0.106 1.00 0.00 H new ATOM 0 HA ARG A 65 6.989 -7.433 0.105 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.156 -5.475 -0.575 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.757 -7.076 -0.195 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.962 -7.995 -1.825 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.700 -6.338 -2.332 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.257 -6.198 -2.781 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.311 -7.933 -2.543 1.00 0.00 H new ATOM 0 HE ARG A 65 8.184 -7.758 -4.307 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.159 -5.091 -4.489 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.805 -5.420 -6.100 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.521 -8.670 -6.223 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.447 -7.429 -7.073 1.00 0.00 H new ATOM 817 N LYS A 66 9.216 -6.624 2.393 1.00 0.00 N ATOM 818 CA LYS A 66 9.756 -7.126 3.690 1.00 0.00 C ATOM 819 C LYS A 66 8.670 -7.053 4.763 1.00 0.00 C ATOM 820 O LYS A 66 8.617 -7.867 5.663 1.00 0.00 O ATOM 821 CB LYS A 66 10.922 -6.193 4.035 1.00 0.00 C ATOM 822 CG LYS A 66 12.064 -6.374 3.024 1.00 0.00 C ATOM 823 CD LYS A 66 12.252 -7.860 2.709 1.00 0.00 C ATOM 824 CE LYS A 66 13.656 -8.089 2.144 1.00 0.00 C ATOM 825 NZ LYS A 66 14.468 -8.549 3.305 1.00 0.00 N ATOM 0 H LYS A 66 9.647 -5.768 2.043 1.00 0.00 H new ATOM 0 HA LYS A 66 10.082 -8.164 3.630 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.582 -5.157 4.029 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.281 -6.405 5.042 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.841 -5.825 2.109 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.988 -5.959 3.428 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.110 -8.455 3.611 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.501 -8.188 1.990 1.00 0.00 H new ATOM 0 HE2 LYS A 66 13.645 -8.835 1.350 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.063 -7.173 1.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 15.445 -8.727 2.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 14.466 -7.816 4.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.061 -9.426 3.688 1.00 0.00 H new ATOM 839 N ARG A 67 7.801 -6.086 4.674 1.00 0.00 N ATOM 840 CA ARG A 67 6.715 -5.967 5.684 1.00 0.00 C ATOM 841 C ARG A 67 5.735 -7.137 5.540 1.00 0.00 C ATOM 842 O ARG A 67 4.935 -7.400 6.416 1.00 0.00 O ATOM 843 CB ARG A 67 6.024 -4.640 5.371 1.00 0.00 C ATOM 844 CG ARG A 67 6.999 -3.487 5.620 1.00 0.00 C ATOM 845 CD ARG A 67 7.446 -3.501 7.084 1.00 0.00 C ATOM 846 NE ARG A 67 8.831 -4.047 7.057 1.00 0.00 N ATOM 847 CZ ARG A 67 9.551 -4.056 8.146 1.00 0.00 C ATOM 848 NH1 ARG A 67 8.980 -4.228 9.306 1.00 0.00 N ATOM 849 NH2 ARG A 67 10.844 -3.893 8.073 1.00 0.00 N ATOM 0 H ARG A 67 7.796 -5.373 3.945 1.00 0.00 H new ATOM 0 HA ARG A 67 7.093 -5.993 6.706 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.687 -4.628 4.334 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.138 -4.523 5.995 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.864 -3.581 4.964 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.522 -2.536 5.384 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.425 -2.499 7.513 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.788 -4.122 7.692 1.00 0.00 H new ATOM 0 HE ARG A 67 9.217 -4.414 6.187 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.970 -4.356 9.363 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.544 -4.235 10.156 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.291 -3.759 7.166 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.408 -3.900 8.923 1.00 0.00 H new ATOM 861 N ILE A 68 5.797 -7.848 4.444 1.00 0.00 N ATOM 862 CA ILE A 68 4.876 -9.006 4.254 1.00 0.00 C ATOM 863 C ILE A 68 5.614 -10.308 4.569 1.00 0.00 C ATOM 864 O ILE A 68 5.128 -11.388 4.302 1.00 0.00 O ATOM 865 CB ILE A 68 4.468 -8.968 2.777 1.00 0.00 C ATOM 866 CG1 ILE A 68 3.689 -7.679 2.445 1.00 0.00 C ATOM 867 CG2 ILE A 68 3.583 -10.177 2.467 1.00 0.00 C ATOM 868 CD1 ILE A 68 3.028 -7.095 3.699 1.00 0.00 C ATOM 0 H ILE A 68 6.444 -7.677 3.674 1.00 0.00 H new ATOM 0 HA ILE A 68 4.007 -8.954 4.911 1.00 0.00 H new ATOM 0 HB ILE A 68 5.374 -8.991 2.172 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.366 -6.943 2.011 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.928 -7.894 1.695 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.290 -10.154 1.417 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.136 -11.094 2.670 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.691 -10.145 3.093 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.486 -6.187 3.435 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.334 -7.824 4.117 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.794 -6.859 4.437 1.00 0.00 H new ATOM 880 N HIS A 69 6.789 -10.210 5.127 1.00 0.00 N ATOM 881 CA HIS A 69 7.566 -11.435 5.459 1.00 0.00 C ATOM 882 C HIS A 69 7.687 -12.333 4.230 1.00 0.00 C ATOM 883 O HIS A 69 7.731 -13.543 4.331 1.00 0.00 O ATOM 884 CB HIS A 69 6.768 -12.133 6.560 1.00 0.00 C ATOM 885 CG HIS A 69 7.706 -12.604 7.637 1.00 0.00 C ATOM 886 ND1 HIS A 69 8.849 -11.899 7.983 1.00 0.00 N ATOM 887 CD2 HIS A 69 7.688 -13.711 8.449 1.00 0.00 C ATOM 888 CE1 HIS A 69 9.466 -12.583 8.964 1.00 0.00 C ATOM 889 NE2 HIS A 69 8.800 -13.695 9.287 1.00 0.00 N ATOM 0 H HIS A 69 7.245 -9.330 5.368 1.00 0.00 H new ATOM 0 HA HIS A 69 8.580 -11.202 5.782 1.00 0.00 H new ATOM 0 HB2 HIS A 69 6.030 -11.449 6.979 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.219 -12.979 6.146 1.00 0.00 H new ATOM 0 HD2 HIS A 69 6.927 -14.477 8.439 1.00 0.00 H new ATOM 0 HE1 HIS A 69 10.387 -12.271 9.433 1.00 0.00 H new ATOM 0 HE2 HIS A 69 9.052 -14.384 9.995 1.00 0.00 H new ATOM 897 N LEU A 70 7.752 -11.746 3.071 1.00 0.00 N ATOM 898 CA LEU A 70 7.883 -12.563 1.831 1.00 0.00 C ATOM 899 C LEU A 70 9.218 -12.272 1.145 1.00 0.00 C ATOM 900 O LEU A 70 9.789 -11.210 1.300 1.00 0.00 O ATOM 901 CB LEU A 70 6.709 -12.156 0.939 1.00 0.00 C ATOM 902 CG LEU A 70 6.821 -10.677 0.545 1.00 0.00 C ATOM 903 CD1 LEU A 70 7.864 -10.518 -0.562 1.00 0.00 C ATOM 904 CD2 LEU A 70 5.465 -10.187 0.035 1.00 0.00 C ATOM 0 H LEU A 70 7.720 -10.737 2.926 1.00 0.00 H new ATOM 0 HA LEU A 70 7.864 -13.632 2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.693 -12.777 0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.769 -12.329 1.463 1.00 0.00 H new ATOM 0 HG LEU A 70 7.122 -10.092 1.414 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.942 -9.467 -0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.831 -10.871 -0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.563 -11.102 -1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.540 -9.137 -0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.169 -10.775 -0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.718 -10.300 0.821 1.00 0.00 H new ATOM 916 N ARG A 71 9.725 -13.210 0.393 1.00 0.00 N ATOM 917 CA ARG A 71 11.031 -12.984 -0.295 1.00 0.00 C ATOM 918 C ARG A 71 11.274 -14.048 -1.371 1.00 0.00 C ATOM 919 O ARG A 71 10.432 -14.875 -1.645 1.00 0.00 O ATOM 920 CB ARG A 71 12.079 -13.108 0.815 1.00 0.00 C ATOM 921 CG ARG A 71 12.245 -14.580 1.209 1.00 0.00 C ATOM 922 CD ARG A 71 13.538 -14.752 2.007 1.00 0.00 C ATOM 923 NE ARG A 71 13.107 -14.832 3.429 1.00 0.00 N ATOM 924 CZ ARG A 71 13.977 -14.661 4.386 1.00 0.00 C ATOM 925 NH1 ARG A 71 14.778 -13.632 4.362 1.00 0.00 N ATOM 926 NH2 ARG A 71 14.048 -15.521 5.366 1.00 0.00 N ATOM 0 H ARG A 71 9.295 -14.120 0.225 1.00 0.00 H new ATOM 0 HA ARG A 71 11.064 -12.018 -0.799 1.00 0.00 H new ATOM 0 HB2 ARG A 71 13.032 -12.703 0.475 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.775 -12.522 1.682 1.00 0.00 H new ATOM 0 HG2 ARG A 71 11.392 -14.907 1.804 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.270 -15.206 0.317 1.00 0.00 H new ATOM 0 HD2 ARG A 71 14.071 -15.654 1.705 1.00 0.00 H new ATOM 0 HD3 ARG A 71 14.215 -13.913 1.847 1.00 0.00 H new ATOM 0 HE ARG A 71 12.131 -15.021 3.656 1.00 0.00 H new ATOM 0 HH11 ARG A 71 14.724 -12.961 3.595 1.00 0.00 H new ATOM 0 HH12 ARG A 71 15.458 -13.498 5.110 1.00 0.00 H new ATOM 0 HH21 ARG A 71 13.423 -16.327 5.384 1.00 0.00 H new ATOM 0 HH22 ARG A 71 14.728 -15.387 6.114 1.00 0.00 H new ATOM 938 N ALA A 72 12.440 -14.040 -1.958 1.00 0.00 N ATOM 939 CA ALA A 72 12.769 -15.056 -2.998 1.00 0.00 C ATOM 940 C ALA A 72 11.754 -15.021 -4.141 1.00 0.00 C ATOM 941 O ALA A 72 11.940 -14.336 -5.128 1.00 0.00 O ATOM 942 CB ALA A 72 12.709 -16.398 -2.268 1.00 0.00 C ATOM 0 H ALA A 72 13.183 -13.369 -1.761 1.00 0.00 H new ATOM 0 HA ALA A 72 13.744 -14.873 -3.449 1.00 0.00 H new ATOM 0 HB1 ALA A 72 12.940 -17.203 -2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 72 13.435 -16.403 -1.455 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.709 -16.547 -1.861 1.00 0.00 H new ATOM 948 N GLU A 73 10.689 -15.769 -4.030 1.00 0.00 N ATOM 949 CA GLU A 73 9.683 -15.785 -5.128 1.00 0.00 C ATOM 950 C GLU A 73 8.262 -15.959 -4.579 1.00 0.00 C ATOM 951 O GLU A 73 7.375 -16.418 -5.272 1.00 0.00 O ATOM 952 CB GLU A 73 10.083 -16.984 -5.990 1.00 0.00 C ATOM 953 CG GLU A 73 9.580 -18.281 -5.347 1.00 0.00 C ATOM 954 CD GLU A 73 10.460 -19.449 -5.796 1.00 0.00 C ATOM 955 OE1 GLU A 73 10.693 -19.566 -6.988 1.00 0.00 O ATOM 956 OE2 GLU A 73 10.886 -20.207 -4.941 1.00 0.00 O ATOM 0 H GLU A 73 10.474 -16.366 -3.231 1.00 0.00 H new ATOM 0 HA GLU A 73 9.672 -14.850 -5.689 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.665 -16.879 -6.991 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.167 -17.019 -6.099 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.601 -18.193 -4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.544 -18.462 -5.632 1.00 0.00 H new ATOM 963 N ASP A 74 8.031 -15.595 -3.348 1.00 0.00 N ATOM 964 CA ASP A 74 6.662 -15.744 -2.781 1.00 0.00 C ATOM 965 C ASP A 74 5.640 -15.154 -3.741 1.00 0.00 C ATOM 966 O ASP A 74 5.967 -14.598 -4.770 1.00 0.00 O ATOM 967 CB ASP A 74 6.693 -14.983 -1.446 1.00 0.00 C ATOM 968 CG ASP A 74 5.357 -14.283 -1.163 1.00 0.00 C ATOM 969 OD1 ASP A 74 5.092 -13.275 -1.797 1.00 0.00 O ATOM 970 OD2 ASP A 74 4.624 -14.770 -0.317 1.00 0.00 O ATOM 0 H ASP A 74 8.727 -15.203 -2.713 1.00 0.00 H new ATOM 0 HA ASP A 74 6.378 -16.785 -2.629 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.919 -15.677 -0.636 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.494 -14.244 -1.466 1.00 0.00 H new ATOM 975 N ALA A 75 4.405 -15.277 -3.393 1.00 0.00 N ATOM 976 CA ALA A 75 3.321 -14.733 -4.258 1.00 0.00 C ATOM 977 C ALA A 75 2.647 -13.543 -3.576 1.00 0.00 C ATOM 978 O ALA A 75 2.412 -13.549 -2.384 1.00 0.00 O ATOM 979 CB ALA A 75 2.330 -15.880 -4.436 1.00 0.00 C ATOM 0 H ALA A 75 4.087 -15.735 -2.539 1.00 0.00 H new ATOM 0 HA ALA A 75 3.702 -14.378 -5.215 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.502 -15.551 -5.064 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.832 -16.724 -4.909 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.947 -16.185 -3.462 1.00 0.00 H new ATOM 985 N LEU A 76 2.336 -12.524 -4.325 1.00 0.00 N ATOM 986 CA LEU A 76 1.677 -11.331 -3.722 1.00 0.00 C ATOM 987 C LEU A 76 1.076 -10.448 -4.814 1.00 0.00 C ATOM 988 O LEU A 76 1.528 -10.440 -5.942 1.00 0.00 O ATOM 989 CB LEU A 76 2.790 -10.587 -2.991 1.00 0.00 C ATOM 990 CG LEU A 76 2.250 -9.270 -2.432 1.00 0.00 C ATOM 991 CD1 LEU A 76 1.322 -9.559 -1.250 1.00 0.00 C ATOM 992 CD2 LEU A 76 3.420 -8.404 -1.960 1.00 0.00 C ATOM 0 H LEU A 76 2.509 -12.464 -5.328 1.00 0.00 H new ATOM 0 HA LEU A 76 0.863 -11.608 -3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.182 -11.203 -2.182 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.618 -10.392 -3.672 1.00 0.00 H new ATOM 0 HG LEU A 76 1.695 -8.744 -3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.937 -8.620 -0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.490 -10.180 -1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.877 -10.083 -0.472 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.039 -7.464 -1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.972 -8.931 -1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.083 -8.199 -2.800 1.00 0.00 H new ATOM 1004 N PHE A 77 0.064 -9.703 -4.481 1.00 0.00 N ATOM 1005 CA PHE A 77 -0.576 -8.811 -5.486 1.00 0.00 C ATOM 1006 C PHE A 77 -1.323 -7.679 -4.781 1.00 0.00 C ATOM 1007 O PHE A 77 -2.214 -7.915 -3.985 1.00 0.00 O ATOM 1008 CB PHE A 77 -1.561 -9.703 -6.236 1.00 0.00 C ATOM 1009 CG PHE A 77 -0.815 -10.832 -6.903 1.00 0.00 C ATOM 1010 CD1 PHE A 77 -0.174 -10.620 -8.129 1.00 0.00 C ATOM 1011 CD2 PHE A 77 -0.765 -12.091 -6.295 1.00 0.00 C ATOM 1012 CE1 PHE A 77 0.518 -11.669 -8.747 1.00 0.00 C ATOM 1013 CE2 PHE A 77 -0.073 -13.140 -6.913 1.00 0.00 C ATOM 1014 CZ PHE A 77 0.568 -12.928 -8.139 1.00 0.00 C ATOM 0 H PHE A 77 -0.351 -9.672 -3.550 1.00 0.00 H new ATOM 0 HA PHE A 77 0.153 -8.352 -6.154 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -2.304 -10.102 -5.546 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.100 -9.119 -6.982 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.213 -9.648 -8.598 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -1.260 -12.254 -5.349 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.013 -11.506 -9.693 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.034 -14.112 -6.444 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.102 -13.737 -8.616 1.00 0.00 H new ATOM 1024 N PHE A 78 -0.965 -6.452 -5.051 1.00 0.00 N ATOM 1025 CA PHE A 78 -1.650 -5.319 -4.388 1.00 0.00 C ATOM 1026 C PHE A 78 -2.955 -4.956 -5.093 1.00 0.00 C ATOM 1027 O PHE A 78 -3.010 -4.812 -6.299 1.00 0.00 O ATOM 1028 CB PHE A 78 -0.663 -4.173 -4.512 1.00 0.00 C ATOM 1029 CG PHE A 78 0.543 -4.429 -3.645 1.00 0.00 C ATOM 1030 CD1 PHE A 78 0.598 -5.530 -2.781 1.00 0.00 C ATOM 1031 CD2 PHE A 78 1.599 -3.536 -3.700 1.00 0.00 C ATOM 1032 CE1 PHE A 78 1.722 -5.724 -1.967 1.00 0.00 C ATOM 1033 CE2 PHE A 78 2.725 -3.724 -2.896 1.00 0.00 C ATOM 1034 CZ PHE A 78 2.787 -4.817 -2.025 1.00 0.00 C ATOM 0 H PHE A 78 -0.226 -6.191 -5.704 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.918 -5.556 -3.358 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.355 -4.059 -5.551 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.140 -3.239 -4.217 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.225 -6.229 -2.742 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.552 -2.689 -4.368 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.767 -6.570 -1.297 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.548 -3.026 -2.947 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.655 -4.961 -1.398 1.00 0.00 H new ATOM 1044 N PHE A 79 -3.995 -4.774 -4.335 1.00 0.00 N ATOM 1045 CA PHE A 79 -5.301 -4.383 -4.919 1.00 0.00 C ATOM 1046 C PHE A 79 -5.731 -3.049 -4.312 1.00 0.00 C ATOM 1047 O PHE A 79 -5.907 -2.926 -3.114 1.00 0.00 O ATOM 1048 CB PHE A 79 -6.272 -5.482 -4.512 1.00 0.00 C ATOM 1049 CG PHE A 79 -5.705 -6.832 -4.883 1.00 0.00 C ATOM 1050 CD1 PHE A 79 -5.645 -7.217 -6.228 1.00 0.00 C ATOM 1051 CD2 PHE A 79 -5.243 -7.702 -3.886 1.00 0.00 C ATOM 1052 CE1 PHE A 79 -5.124 -8.469 -6.577 1.00 0.00 C ATOM 1053 CE2 PHE A 79 -4.723 -8.954 -4.236 1.00 0.00 C ATOM 1054 CZ PHE A 79 -4.664 -9.338 -5.580 1.00 0.00 C ATOM 0 H PHE A 79 -3.995 -4.881 -3.321 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.261 -4.268 -6.002 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.456 -5.438 -3.439 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -7.232 -5.333 -5.006 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -6.001 -6.548 -6.997 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.288 -7.407 -2.848 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.077 -8.764 -7.615 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.367 -9.624 -3.467 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.264 -10.304 -5.849 1.00 0.00 H new ATOM 1064 N VAL A 80 -5.894 -2.052 -5.124 1.00 0.00 N ATOM 1065 CA VAL A 80 -6.308 -0.721 -4.596 1.00 0.00 C ATOM 1066 C VAL A 80 -7.628 -0.295 -5.236 1.00 0.00 C ATOM 1067 O VAL A 80 -7.775 -0.303 -6.442 1.00 0.00 O ATOM 1068 CB VAL A 80 -5.184 0.244 -4.986 1.00 0.00 C ATOM 1069 CG1 VAL A 80 -5.247 1.480 -4.087 1.00 0.00 C ATOM 1070 CG2 VAL A 80 -3.825 -0.441 -4.808 1.00 0.00 C ATOM 0 H VAL A 80 -5.759 -2.096 -6.134 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.463 -0.738 -3.517 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.306 0.537 -6.029 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.449 2.170 -4.361 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.211 1.972 -4.213 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.126 1.179 -3.046 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.030 0.250 -5.087 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.700 -0.736 -3.766 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.777 -1.325 -5.444 1.00 0.00 H new ATOM 1080 N ASN A 81 -8.593 0.076 -4.442 1.00 0.00 N ATOM 1081 CA ASN A 81 -9.903 0.494 -5.015 1.00 0.00 C ATOM 1082 C ASN A 81 -10.372 -0.534 -6.050 1.00 0.00 C ATOM 1083 O ASN A 81 -10.955 -0.194 -7.059 1.00 0.00 O ATOM 1084 CB ASN A 81 -9.632 1.844 -5.680 1.00 0.00 C ATOM 1085 CG ASN A 81 -10.854 2.749 -5.516 1.00 0.00 C ATOM 1086 OD1 ASN A 81 -11.264 3.042 -4.410 1.00 0.00 O ATOM 1087 ND2 ASN A 81 -11.458 3.208 -6.578 1.00 0.00 N ATOM 0 H ASN A 81 -8.532 0.108 -3.424 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.685 0.565 -4.259 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -8.756 2.313 -5.231 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.411 1.702 -6.738 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.274 3.812 -6.480 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.114 2.962 -7.506 1.00 0.00 H new ATOM 1094 N ASN A 82 -10.115 -1.792 -5.801 1.00 0.00 N ATOM 1095 CA ASN A 82 -10.538 -2.855 -6.761 1.00 0.00 C ATOM 1096 C ASN A 82 -9.761 -2.729 -8.075 1.00 0.00 C ATOM 1097 O ASN A 82 -10.297 -2.929 -9.147 1.00 0.00 O ATOM 1098 CB ASN A 82 -12.033 -2.617 -6.995 1.00 0.00 C ATOM 1099 CG ASN A 82 -12.721 -2.315 -5.662 1.00 0.00 C ATOM 1100 OD1 ASN A 82 -12.465 -2.969 -4.671 1.00 0.00 O ATOM 1101 ND2 ASN A 82 -13.590 -1.344 -5.597 1.00 0.00 N ATOM 0 H ASN A 82 -9.628 -2.130 -4.971 1.00 0.00 H new ATOM 0 HA ASN A 82 -10.343 -3.855 -6.374 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -12.175 -1.786 -7.685 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -12.483 -3.496 -7.457 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.055 -1.134 -4.714 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -13.805 -0.795 -6.429 1.00 0.00 H new ATOM 1108 N VAL A 83 -8.499 -2.404 -8.001 1.00 0.00 N ATOM 1109 CA VAL A 83 -7.686 -2.270 -9.245 1.00 0.00 C ATOM 1110 C VAL A 83 -6.327 -2.954 -9.060 1.00 0.00 C ATOM 1111 O VAL A 83 -5.934 -3.280 -7.958 1.00 0.00 O ATOM 1112 CB VAL A 83 -7.500 -0.763 -9.456 1.00 0.00 C ATOM 1113 CG1 VAL A 83 -7.162 -0.489 -10.923 1.00 0.00 C ATOM 1114 CG2 VAL A 83 -8.790 -0.022 -9.093 1.00 0.00 C ATOM 0 H VAL A 83 -7.995 -2.225 -7.133 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.171 -2.738 -10.101 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.688 -0.413 -8.818 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.030 0.583 -11.072 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.241 -1.008 -11.187 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.974 -0.846 -11.556 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -8.650 1.048 -9.245 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.603 -0.376 -9.727 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.036 -0.210 -8.048 1.00 0.00 H new ATOM 1124 N ILE A 84 -5.606 -3.154 -10.132 1.00 0.00 N ATOM 1125 CA ILE A 84 -4.267 -3.813 -10.043 1.00 0.00 C ATOM 1126 C ILE A 84 -3.411 -3.383 -11.237 1.00 0.00 C ATOM 1127 O ILE A 84 -3.105 -4.179 -12.102 1.00 0.00 O ATOM 1128 CB ILE A 84 -4.525 -5.324 -10.143 1.00 0.00 C ATOM 1129 CG1 ILE A 84 -5.792 -5.728 -9.382 1.00 0.00 C ATOM 1130 CG2 ILE A 84 -3.331 -6.076 -9.556 1.00 0.00 C ATOM 1131 CD1 ILE A 84 -7.030 -5.403 -10.221 1.00 0.00 C ATOM 0 H ILE A 84 -5.889 -2.887 -11.075 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.752 -3.546 -9.120 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.661 -5.577 -11.194 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.766 -6.794 -9.155 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.839 -5.200 -8.430 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.508 -7.149 -9.624 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.430 -5.821 -10.114 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.202 -5.795 -8.511 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -7.927 -5.693 -9.674 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.060 -4.333 -10.426 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.986 -5.951 -11.162 1.00 0.00 H new ATOM 1143 N PRO A 85 -3.059 -2.127 -11.245 1.00 0.00 N ATOM 1144 CA PRO A 85 -2.234 -1.569 -12.347 1.00 0.00 C ATOM 1145 C PRO A 85 -0.781 -2.046 -12.235 1.00 0.00 C ATOM 1146 O PRO A 85 -0.365 -2.536 -11.205 1.00 0.00 O ATOM 1147 CB PRO A 85 -2.326 -0.061 -12.130 1.00 0.00 C ATOM 1148 CG PRO A 85 -2.622 0.104 -10.673 1.00 0.00 C ATOM 1149 CD PRO A 85 -3.393 -1.115 -10.236 1.00 0.00 C ATOM 0 HA PRO A 85 -2.576 -1.880 -13.334 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -1.394 0.434 -12.402 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.112 0.379 -12.744 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.699 0.201 -10.101 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.202 1.010 -10.498 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -3.099 -1.436 -9.237 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -4.465 -0.920 -10.206 1.00 0.00 H new ATOM 1157 N PRO A 86 -0.058 -1.875 -13.309 1.00 0.00 N ATOM 1158 CA PRO A 86 1.369 -2.283 -13.348 1.00 0.00 C ATOM 1159 C PRO A 86 2.221 -1.324 -12.512 1.00 0.00 C ATOM 1160 O PRO A 86 1.718 -0.401 -11.903 1.00 0.00 O ATOM 1161 CB PRO A 86 1.729 -2.183 -14.829 1.00 0.00 C ATOM 1162 CG PRO A 86 0.762 -1.195 -15.398 1.00 0.00 C ATOM 1163 CD PRO A 86 -0.500 -1.292 -14.581 1.00 0.00 C ATOM 0 HA PRO A 86 1.543 -3.278 -12.939 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.758 -1.850 -14.963 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.640 -3.151 -15.323 1.00 0.00 H new ATOM 0 HG2 PRO A 86 1.172 -0.186 -15.356 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.560 -1.413 -16.447 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.956 -0.313 -14.434 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.244 -1.920 -15.070 1.00 0.00 H new ATOM 1171 N THR A 87 3.507 -1.539 -12.480 1.00 0.00 N ATOM 1172 CA THR A 87 4.395 -0.640 -11.680 1.00 0.00 C ATOM 1173 C THR A 87 4.776 0.606 -12.483 1.00 0.00 C ATOM 1174 O THR A 87 5.755 1.268 -12.200 1.00 0.00 O ATOM 1175 CB THR A 87 5.643 -1.463 -11.370 1.00 0.00 C ATOM 1176 OG1 THR A 87 5.873 -2.398 -12.415 1.00 0.00 O ATOM 1177 CG2 THR A 87 5.459 -2.204 -10.046 1.00 0.00 C ATOM 0 H THR A 87 3.983 -2.296 -12.971 1.00 0.00 H new ATOM 0 HA THR A 87 3.895 -0.295 -10.775 1.00 0.00 H new ATOM 0 HB THR A 87 6.501 -0.795 -11.290 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.447 -3.251 -12.190 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.352 -2.790 -9.830 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.295 -1.483 -9.245 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.598 -2.869 -10.118 1.00 0.00 H new ATOM 1185 N SER A 88 4.004 0.932 -13.474 1.00 0.00 N ATOM 1186 CA SER A 88 4.299 2.137 -14.298 1.00 0.00 C ATOM 1187 C SER A 88 3.463 3.314 -13.796 1.00 0.00 C ATOM 1188 O SER A 88 2.892 4.063 -14.565 1.00 0.00 O ATOM 1189 CB SER A 88 3.894 1.754 -15.721 1.00 0.00 C ATOM 1190 OG SER A 88 4.337 2.758 -16.623 1.00 0.00 O ATOM 0 H SER A 88 3.172 0.412 -13.754 1.00 0.00 H new ATOM 0 HA SER A 88 5.346 2.437 -14.247 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.330 0.791 -15.988 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.812 1.643 -15.786 1.00 0.00 H new ATOM 0 HG SER A 88 4.020 3.634 -16.319 1.00 0.00 H new ATOM 1196 N ALA A 89 3.382 3.471 -12.505 1.00 0.00 N ATOM 1197 CA ALA A 89 2.578 4.587 -11.927 1.00 0.00 C ATOM 1198 C ALA A 89 3.242 5.114 -10.660 1.00 0.00 C ATOM 1199 O ALA A 89 4.349 4.745 -10.321 1.00 0.00 O ATOM 1200 CB ALA A 89 1.221 3.965 -11.599 1.00 0.00 C ATOM 0 H ALA A 89 3.841 2.871 -11.819 1.00 0.00 H new ATOM 0 HA ALA A 89 2.488 5.430 -12.612 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.568 4.724 -11.168 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.770 3.574 -12.511 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.356 3.153 -10.884 1.00 0.00 H new ATOM 1206 N THR A 90 2.572 5.980 -9.964 1.00 0.00 N ATOM 1207 CA THR A 90 3.157 6.548 -8.716 1.00 0.00 C ATOM 1208 C THR A 90 2.086 6.656 -7.626 1.00 0.00 C ATOM 1209 O THR A 90 0.928 6.913 -7.895 1.00 0.00 O ATOM 1210 CB THR A 90 3.662 7.936 -9.112 1.00 0.00 C ATOM 1211 OG1 THR A 90 2.566 8.731 -9.544 1.00 0.00 O ATOM 1212 CG2 THR A 90 4.679 7.804 -10.245 1.00 0.00 C ATOM 0 H THR A 90 1.641 6.323 -10.202 1.00 0.00 H new ATOM 0 HA THR A 90 3.954 5.923 -8.313 1.00 0.00 H new ATOM 0 HB THR A 90 4.138 8.410 -8.254 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.887 9.622 -9.797 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.039 8.793 -10.528 1.00 0.00 H new ATOM 0 HG22 THR A 90 5.518 7.194 -9.911 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.206 7.331 -11.105 1.00 0.00 H new ATOM 1220 N MET A 91 2.465 6.460 -6.394 1.00 0.00 N ATOM 1221 CA MET A 91 1.466 6.547 -5.288 1.00 0.00 C ATOM 1222 C MET A 91 0.823 7.937 -5.283 1.00 0.00 C ATOM 1223 O MET A 91 -0.378 8.079 -5.155 1.00 0.00 O ATOM 1224 CB MET A 91 2.253 6.317 -3.992 1.00 0.00 C ATOM 1225 CG MET A 91 2.749 4.867 -3.929 1.00 0.00 C ATOM 1226 SD MET A 91 1.335 3.743 -3.821 1.00 0.00 S ATOM 1227 CE MET A 91 0.954 4.025 -2.074 1.00 0.00 C ATOM 0 H MET A 91 3.419 6.244 -6.104 1.00 0.00 H new ATOM 0 HA MET A 91 0.667 5.814 -5.401 1.00 0.00 H new ATOM 0 HB2 MET A 91 3.100 7.002 -3.945 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.621 6.531 -3.130 1.00 0.00 H new ATOM 0 HG2 MET A 91 3.342 4.637 -4.814 1.00 0.00 H new ATOM 0 HG3 MET A 91 3.400 4.732 -3.065 1.00 0.00 H new ATOM 0 HE1 MET A 91 1.067 3.092 -1.522 1.00 0.00 H new ATOM 0 HE2 MET A 91 1.637 4.772 -1.669 1.00 0.00 H new ATOM 0 HE3 MET A 91 -0.072 4.381 -1.978 1.00 0.00 H new ATOM 1237 N GLY A 92 1.618 8.961 -5.417 1.00 0.00 N ATOM 1238 CA GLY A 92 1.063 10.345 -5.418 1.00 0.00 C ATOM 1239 C GLY A 92 -0.133 10.433 -6.365 1.00 0.00 C ATOM 1240 O GLY A 92 -1.170 10.964 -6.020 1.00 0.00 O ATOM 0 H GLY A 92 2.630 8.900 -5.526 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.759 10.623 -4.409 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.833 11.053 -5.725 1.00 0.00 H new ATOM 1244 N GLN A 93 0.001 9.925 -7.556 1.00 0.00 N ATOM 1245 CA GLN A 93 -1.136 9.993 -8.517 1.00 0.00 C ATOM 1246 C GLN A 93 -2.311 9.167 -7.983 1.00 0.00 C ATOM 1247 O GLN A 93 -3.462 9.494 -8.198 1.00 0.00 O ATOM 1248 CB GLN A 93 -0.587 9.431 -9.845 1.00 0.00 C ATOM 1249 CG GLN A 93 -1.013 7.970 -10.044 1.00 0.00 C ATOM 1250 CD GLN A 93 -0.568 7.491 -11.427 1.00 0.00 C ATOM 1251 OE1 GLN A 93 0.545 7.746 -11.843 1.00 0.00 O ATOM 1252 NE2 GLN A 93 -1.398 6.803 -12.164 1.00 0.00 N ATOM 0 H GLN A 93 0.843 9.468 -7.906 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.512 11.006 -8.659 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.949 10.035 -10.677 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.501 9.500 -9.851 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -0.570 7.343 -9.271 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.095 7.879 -9.947 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.332 6.589 -11.815 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.112 6.480 -13.088 1.00 0.00 H new ATOM 1261 N LEU A 94 -2.029 8.101 -7.284 1.00 0.00 N ATOM 1262 CA LEU A 94 -3.130 7.263 -6.734 1.00 0.00 C ATOM 1263 C LEU A 94 -3.906 8.049 -5.678 1.00 0.00 C ATOM 1264 O LEU A 94 -5.039 7.748 -5.370 1.00 0.00 O ATOM 1265 CB LEU A 94 -2.425 6.045 -6.120 1.00 0.00 C ATOM 1266 CG LEU A 94 -2.338 6.167 -4.592 1.00 0.00 C ATOM 1267 CD1 LEU A 94 -3.631 5.644 -3.966 1.00 0.00 C ATOM 1268 CD2 LEU A 94 -1.157 5.344 -4.082 1.00 0.00 C ATOM 0 H LEU A 94 -1.086 7.776 -7.071 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.855 6.965 -7.491 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.966 5.136 -6.385 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.423 5.953 -6.538 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.197 7.213 -4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.571 5.730 -2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.475 6.230 -4.330 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.771 4.598 -4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.095 5.430 -2.997 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.297 4.298 -4.355 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.235 5.715 -4.529 1.00 0.00 H new ATOM 1280 N TYR A 95 -3.300 9.044 -5.107 1.00 0.00 N ATOM 1281 CA TYR A 95 -4.010 9.825 -4.064 1.00 0.00 C ATOM 1282 C TYR A 95 -5.401 10.225 -4.566 1.00 0.00 C ATOM 1283 O TYR A 95 -6.396 9.936 -3.941 1.00 0.00 O ATOM 1284 CB TYR A 95 -3.136 11.058 -3.825 1.00 0.00 C ATOM 1285 CG TYR A 95 -3.153 11.405 -2.359 1.00 0.00 C ATOM 1286 CD1 TYR A 95 -2.730 10.463 -1.416 1.00 0.00 C ATOM 1287 CD2 TYR A 95 -3.596 12.665 -1.941 1.00 0.00 C ATOM 1288 CE1 TYR A 95 -2.750 10.780 -0.053 1.00 0.00 C ATOM 1289 CE2 TYR A 95 -3.616 12.984 -0.578 1.00 0.00 C ATOM 1290 CZ TYR A 95 -3.192 12.041 0.367 1.00 0.00 C ATOM 1291 OH TYR A 95 -3.213 12.355 1.710 1.00 0.00 O ATOM 0 H TYR A 95 -2.349 9.350 -5.315 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.159 9.257 -3.146 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.115 10.863 -4.152 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.504 11.898 -4.414 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -2.388 9.491 -1.739 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.923 13.392 -2.670 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.424 10.052 0.675 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.958 13.956 -0.255 1.00 0.00 H new ATOM 0 HH TYR A 95 -2.416 12.879 1.936 1.00 0.00 H new ATOM 1301 N GLN A 96 -5.481 10.876 -5.692 1.00 0.00 N ATOM 1302 CA GLN A 96 -6.817 11.280 -6.224 1.00 0.00 C ATOM 1303 C GLN A 96 -7.619 10.057 -6.688 1.00 0.00 C ATOM 1304 O GLN A 96 -8.819 10.123 -6.862 1.00 0.00 O ATOM 1305 CB GLN A 96 -6.509 12.197 -7.408 1.00 0.00 C ATOM 1306 CG GLN A 96 -7.818 12.724 -7.999 1.00 0.00 C ATOM 1307 CD GLN A 96 -8.179 14.055 -7.339 1.00 0.00 C ATOM 1308 OE1 GLN A 96 -8.059 14.203 -6.138 1.00 0.00 O ATOM 1309 NE2 GLN A 96 -8.622 15.037 -8.075 1.00 0.00 N ATOM 0 H GLN A 96 -4.683 11.146 -6.267 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.422 11.774 -5.463 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.883 13.029 -7.084 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -5.948 11.652 -8.167 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -7.715 12.857 -9.076 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.617 12.000 -7.842 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.723 14.914 -9.082 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -8.867 15.928 -7.643 1.00 0.00 H new ATOM 1318 N GLU A 97 -6.965 8.949 -6.919 1.00 0.00 N ATOM 1319 CA GLU A 97 -7.695 7.740 -7.406 1.00 0.00 C ATOM 1320 C GLU A 97 -8.257 6.892 -6.253 1.00 0.00 C ATOM 1321 O GLU A 97 -9.455 6.782 -6.087 1.00 0.00 O ATOM 1322 CB GLU A 97 -6.654 6.945 -8.199 1.00 0.00 C ATOM 1323 CG GLU A 97 -6.761 7.300 -9.683 1.00 0.00 C ATOM 1324 CD GLU A 97 -8.190 7.050 -10.168 1.00 0.00 C ATOM 1325 OE1 GLU A 97 -8.539 5.896 -10.349 1.00 0.00 O ATOM 1326 OE2 GLU A 97 -8.911 8.017 -10.349 1.00 0.00 O ATOM 0 H GLU A 97 -5.960 8.828 -6.792 1.00 0.00 H new ATOM 0 HA GLU A 97 -8.560 8.022 -8.007 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.653 7.170 -7.832 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.813 5.876 -8.058 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.491 8.345 -9.838 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.059 6.700 -10.262 1.00 0.00 H new ATOM 1333 N HIS A 98 -7.412 6.258 -5.481 1.00 0.00 N ATOM 1334 CA HIS A 98 -7.910 5.390 -4.385 1.00 0.00 C ATOM 1335 C HIS A 98 -7.862 6.098 -3.027 1.00 0.00 C ATOM 1336 O HIS A 98 -7.567 5.492 -2.012 1.00 0.00 O ATOM 1337 CB HIS A 98 -6.945 4.215 -4.409 1.00 0.00 C ATOM 1338 CG HIS A 98 -6.885 3.650 -5.799 1.00 0.00 C ATOM 1339 ND1 HIS A 98 -7.954 3.727 -6.679 1.00 0.00 N ATOM 1340 CD2 HIS A 98 -5.889 2.997 -6.474 1.00 0.00 C ATOM 1341 CE1 HIS A 98 -7.576 3.130 -7.826 1.00 0.00 C ATOM 1342 NE2 HIS A 98 -6.326 2.668 -7.755 1.00 0.00 N ATOM 0 H HIS A 98 -6.397 6.308 -5.567 1.00 0.00 H new ATOM 0 HA HIS A 98 -8.953 5.104 -4.522 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.953 4.538 -4.092 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.270 3.448 -3.706 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.912 2.771 -6.074 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -8.208 3.037 -8.697 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -5.803 2.179 -8.482 1.00 0.00 H new ATOM 1350 N HIS A 99 -8.165 7.366 -2.989 1.00 0.00 N ATOM 1351 CA HIS A 99 -8.154 8.089 -1.683 1.00 0.00 C ATOM 1352 C HIS A 99 -9.092 7.383 -0.710 1.00 0.00 C ATOM 1353 O HIS A 99 -8.979 7.503 0.494 1.00 0.00 O ATOM 1354 CB HIS A 99 -8.660 9.496 -1.996 1.00 0.00 C ATOM 1355 CG HIS A 99 -9.939 9.436 -2.770 1.00 0.00 C ATOM 1356 ND1 HIS A 99 -11.093 8.846 -2.279 1.00 0.00 N ATOM 1357 CD2 HIS A 99 -10.254 9.910 -4.005 1.00 0.00 C ATOM 1358 CE1 HIS A 99 -12.044 8.979 -3.224 1.00 0.00 C ATOM 1359 NE2 HIS A 99 -11.583 9.623 -4.299 1.00 0.00 N ATOM 0 H HIS A 99 -8.418 7.931 -3.799 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.165 8.116 -1.225 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -8.816 10.047 -1.068 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -7.908 10.040 -2.568 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -9.573 10.432 -4.661 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -13.054 8.610 -3.124 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -12.094 9.854 -5.151 1.00 0.00 H new ATOM 1429 N PHE A 104 -6.870 9.797 4.029 1.00 0.00 N ATOM 1430 CA PHE A 104 -5.720 8.963 3.575 1.00 0.00 C ATOM 1431 C PHE A 104 -6.165 8.044 2.435 1.00 0.00 C ATOM 1432 O PHE A 104 -7.304 8.077 2.011 1.00 0.00 O ATOM 1433 CB PHE A 104 -5.315 8.134 4.798 1.00 0.00 C ATOM 1434 CG PHE A 104 -5.309 9.005 6.033 1.00 0.00 C ATOM 1435 CD1 PHE A 104 -4.792 10.304 5.972 1.00 0.00 C ATOM 1436 CD2 PHE A 104 -5.820 8.510 7.239 1.00 0.00 C ATOM 1437 CE1 PHE A 104 -4.785 11.108 7.119 1.00 0.00 C ATOM 1438 CE2 PHE A 104 -5.814 9.314 8.384 1.00 0.00 C ATOM 1439 CZ PHE A 104 -5.296 10.613 8.324 1.00 0.00 C ATOM 0 HA PHE A 104 -4.892 9.567 3.204 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.009 7.304 4.931 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.327 7.701 4.643 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -4.399 10.686 5.042 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.219 7.507 7.285 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -4.385 12.110 7.073 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -6.209 8.932 9.314 1.00 0.00 H new ATOM 0 HZ PHE A 104 -5.291 11.233 9.208 1.00 0.00 H new ATOM 1449 N LEU A 105 -5.285 7.218 1.938 1.00 0.00 N ATOM 1450 CA LEU A 105 -5.679 6.295 0.830 1.00 0.00 C ATOM 1451 C LEU A 105 -5.732 4.853 1.358 1.00 0.00 C ATOM 1452 O LEU A 105 -5.256 4.569 2.438 1.00 0.00 O ATOM 1453 CB LEU A 105 -4.604 6.493 -0.259 1.00 0.00 C ATOM 1454 CG LEU A 105 -3.591 5.344 -0.263 1.00 0.00 C ATOM 1455 CD1 LEU A 105 -4.067 4.256 -1.226 1.00 0.00 C ATOM 1456 CD2 LEU A 105 -2.229 5.869 -0.725 1.00 0.00 C ATOM 0 H LEU A 105 -4.316 7.141 2.247 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.670 6.501 0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.082 6.561 -1.236 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.085 7.437 -0.092 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.501 4.931 0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.349 3.436 -1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.039 3.884 -0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.152 4.671 -2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.507 5.053 -0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.319 6.278 -1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.890 6.650 -0.045 1.00 0.00 H new ATOM 1468 N TYR A 106 -6.326 3.945 0.627 1.00 0.00 N ATOM 1469 CA TYR A 106 -6.414 2.539 1.132 1.00 0.00 C ATOM 1470 C TYR A 106 -5.782 1.539 0.153 1.00 0.00 C ATOM 1471 O TYR A 106 -6.098 1.515 -1.020 1.00 0.00 O ATOM 1472 CB TYR A 106 -7.913 2.269 1.268 1.00 0.00 C ATOM 1473 CG TYR A 106 -8.317 2.392 2.718 1.00 0.00 C ATOM 1474 CD1 TYR A 106 -8.114 3.599 3.400 1.00 0.00 C ATOM 1475 CD2 TYR A 106 -8.894 1.302 3.380 1.00 0.00 C ATOM 1476 CE1 TYR A 106 -8.488 3.713 4.744 1.00 0.00 C ATOM 1477 CE2 TYR A 106 -9.268 1.417 4.724 1.00 0.00 C ATOM 1478 CZ TYR A 106 -9.065 2.622 5.406 1.00 0.00 C ATOM 1479 OH TYR A 106 -9.433 2.737 6.731 1.00 0.00 O ATOM 0 H TYR A 106 -6.749 4.111 -0.286 1.00 0.00 H new ATOM 0 HA TYR A 106 -5.874 2.421 2.071 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.477 2.977 0.661 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.149 1.272 0.897 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -7.669 4.440 2.889 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.051 0.372 2.854 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -8.332 4.643 5.271 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.713 0.576 5.235 1.00 0.00 H new ATOM 0 HH TYR A 106 -9.819 1.890 7.038 1.00 0.00 H new ATOM 1489 N ILE A 107 -4.901 0.697 0.640 1.00 0.00 N ATOM 1490 CA ILE A 107 -4.260 -0.323 -0.245 1.00 0.00 C ATOM 1491 C ILE A 107 -4.133 -1.656 0.498 1.00 0.00 C ATOM 1492 O ILE A 107 -3.618 -1.714 1.598 1.00 0.00 O ATOM 1493 CB ILE A 107 -2.871 0.227 -0.569 1.00 0.00 C ATOM 1494 CG1 ILE A 107 -2.972 1.713 -0.903 1.00 0.00 C ATOM 1495 CG2 ILE A 107 -2.293 -0.525 -1.770 1.00 0.00 C ATOM 1496 CD1 ILE A 107 -1.625 2.208 -1.432 1.00 0.00 C ATOM 0 H ILE A 107 -4.599 0.674 1.614 1.00 0.00 H new ATOM 0 HA ILE A 107 -4.846 -0.502 -1.146 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.220 0.094 0.295 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -3.750 1.877 -1.648 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -3.256 2.278 -0.015 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.302 -0.134 -2.002 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -2.217 -1.586 -1.533 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -2.947 -0.392 -2.632 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.696 3.269 -1.671 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.858 2.057 -0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.360 1.651 -2.330 1.00 0.00 H new ATOM 1508 N ALA A 108 -4.588 -2.729 -0.089 1.00 0.00 N ATOM 1509 CA ALA A 108 -4.477 -4.051 0.593 1.00 0.00 C ATOM 1510 C ALA A 108 -3.727 -5.031 -0.302 1.00 0.00 C ATOM 1511 O ALA A 108 -3.436 -4.734 -1.438 1.00 0.00 O ATOM 1512 CB ALA A 108 -5.919 -4.511 0.810 1.00 0.00 C ATOM 0 H ALA A 108 -5.030 -2.749 -1.008 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.929 -3.991 1.534 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -5.921 -5.480 1.309 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -6.444 -3.783 1.429 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.422 -4.598 -0.153 1.00 0.00 H new ATOM 1518 N TYR A 109 -3.409 -6.198 0.186 1.00 0.00 N ATOM 1519 CA TYR A 109 -2.687 -7.172 -0.681 1.00 0.00 C ATOM 1520 C TYR A 109 -3.028 -8.608 -0.305 1.00 0.00 C ATOM 1521 O TYR A 109 -3.549 -8.885 0.759 1.00 0.00 O ATOM 1522 CB TYR A 109 -1.192 -6.903 -0.495 1.00 0.00 C ATOM 1523 CG TYR A 109 -0.858 -6.607 0.950 1.00 0.00 C ATOM 1524 CD1 TYR A 109 -1.245 -5.394 1.527 1.00 0.00 C ATOM 1525 CD2 TYR A 109 -0.129 -7.539 1.704 1.00 0.00 C ATOM 1526 CE1 TYR A 109 -0.907 -5.112 2.855 1.00 0.00 C ATOM 1527 CE2 TYR A 109 0.203 -7.257 3.031 1.00 0.00 C ATOM 1528 CZ TYR A 109 -0.184 -6.043 3.607 1.00 0.00 C ATOM 1529 OH TYR A 109 0.149 -5.763 4.917 1.00 0.00 O ATOM 0 H TYR A 109 -3.614 -6.517 1.133 1.00 0.00 H new ATOM 0 HA TYR A 109 -2.982 -7.047 -1.723 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -0.621 -7.768 -0.832 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -0.892 -6.061 -1.119 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -1.805 -4.675 0.948 1.00 0.00 H new ATOM 0 HD2 TYR A 109 0.175 -8.474 1.258 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -1.205 -4.174 3.300 1.00 0.00 H new ATOM 0 HE2 TYR A 109 0.759 -7.977 3.613 1.00 0.00 H new ATOM 0 HH TYR A 109 0.563 -4.876 4.967 1.00 0.00 H new ATOM 1539 N SER A 110 -2.739 -9.524 -1.186 1.00 0.00 N ATOM 1540 CA SER A 110 -3.045 -10.958 -0.907 1.00 0.00 C ATOM 1541 C SER A 110 -1.991 -11.870 -1.543 1.00 0.00 C ATOM 1542 O SER A 110 -1.065 -11.414 -2.185 1.00 0.00 O ATOM 1543 CB SER A 110 -4.411 -11.200 -1.548 1.00 0.00 C ATOM 1544 OG SER A 110 -5.140 -12.132 -0.759 1.00 0.00 O ATOM 0 H SER A 110 -2.303 -9.343 -2.090 1.00 0.00 H new ATOM 0 HA SER A 110 -3.044 -11.175 0.161 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.961 -10.262 -1.625 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.288 -11.581 -2.562 1.00 0.00 H new ATOM 0 HG SER A 110 -6.018 -12.289 -1.166 1.00 0.00 H new ATOM 1550 N ASP A 111 -2.130 -13.159 -1.368 1.00 0.00 N ATOM 1551 CA ASP A 111 -1.143 -14.110 -1.959 1.00 0.00 C ATOM 1552 C ASP A 111 -1.845 -15.088 -2.903 1.00 0.00 C ATOM 1553 O ASP A 111 -1.496 -16.250 -2.976 1.00 0.00 O ATOM 1554 CB ASP A 111 -0.556 -14.863 -0.765 1.00 0.00 C ATOM 1555 CG ASP A 111 0.817 -15.425 -1.139 1.00 0.00 C ATOM 1556 OD1 ASP A 111 0.862 -16.337 -1.948 1.00 0.00 O ATOM 1557 OD2 ASP A 111 1.800 -14.935 -0.608 1.00 0.00 O ATOM 0 H ASP A 111 -2.886 -13.594 -0.840 1.00 0.00 H new ATOM 0 HA ASP A 111 -0.378 -13.596 -2.541 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -0.466 -14.194 0.091 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -1.223 -15.672 -0.469 1.00 0.00 H new