USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 583 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 Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -127:sc= -0.431 (180deg=-0.899) USER MOD Single : A 23 HIS : no HD1:sc= -5.7! C(o=-5.7!,f=-8.4!) USER MOD Single : A 33 THR OG1 : rot 151:sc= 1.17 USER MOD Single : A 36 GLN : amide:sc= -6.7! C(o=-6.7!,f=-5!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.616) USER MOD Single : A 46 HIS : no HD1:sc= -7.29! C(o=-7.3!,f=-16!) USER MOD Single : A 66 ASN : amide:sc= 1.05 K(o=1.1,f=-0.0095) USER MOD Single : A 67 MET CE :methyl -121:sc= -1.39 (180deg=-6.49!) USER MOD Single : A 68 ASN : amide:sc= -0.462 K(o=-0.46,f=-1.1!) USER MOD Single : A 70 SER OG : rot -140:sc= -1.13 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.0474 X(o=-0.047,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 143 N ARG A 6 -18.808 0.694 4.444 1.00 0.00 N ATOM 144 CA ARG A 6 -18.385 0.727 3.050 1.00 0.00 C ATOM 145 C ARG A 6 -16.863 0.745 2.944 1.00 0.00 C ATOM 146 O ARG A 6 -16.277 0.025 2.136 1.00 0.00 O ATOM 147 CB ARG A 6 -18.970 1.952 2.345 1.00 0.00 C ATOM 148 CG ARG A 6 -20.371 1.729 1.799 1.00 0.00 C ATOM 149 CD ARG A 6 -20.725 2.757 0.736 1.00 0.00 C ATOM 150 NE ARG A 6 -21.078 4.048 1.320 1.00 0.00 N ATOM 151 CZ ARG A 6 -21.493 5.089 0.606 1.00 0.00 C ATOM 152 NH1 ARG A 6 -21.607 4.990 -0.712 1.00 0.00 N ATOM 153 NH2 ARG A 6 -21.795 6.231 1.209 1.00 0.00 N ATOM 0 HA ARG A 6 -18.756 -0.175 2.563 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -18.990 2.788 3.044 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -18.311 2.238 1.525 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -20.442 0.727 1.376 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -21.093 1.783 2.614 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -19.880 2.884 0.059 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -21.559 2.389 0.139 1.00 0.00 H new ATOM 0 HE ARG A 6 -21.002 4.157 2.331 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -21.376 4.113 -1.179 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -21.926 5.790 -1.258 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -21.709 6.311 2.222 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -22.113 7.029 0.660 1.00 0.00 H new ATOM 167 N VAL A 7 -16.227 1.574 3.767 1.00 0.00 N ATOM 168 CA VAL A 7 -14.774 1.686 3.767 1.00 0.00 C ATOM 169 C VAL A 7 -14.138 0.595 4.621 1.00 0.00 C ATOM 170 O VAL A 7 -14.279 0.588 5.845 1.00 0.00 O ATOM 171 CB VAL A 7 -14.317 3.062 4.288 1.00 0.00 C ATOM 172 CG1 VAL A 7 -12.799 3.134 4.345 1.00 0.00 C ATOM 173 CG2 VAL A 7 -14.879 4.174 3.416 1.00 0.00 C ATOM 0 H VAL A 7 -16.696 2.178 4.442 1.00 0.00 H new ATOM 0 HA VAL A 7 -14.448 1.570 2.733 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.701 3.195 5.299 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -12.495 4.113 4.715 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -12.423 2.360 5.014 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -12.390 2.981 3.346 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -14.547 5.139 3.798 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -14.526 4.048 2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -15.968 4.133 3.432 1.00 0.00 H new ATOM 183 N LEU A 8 -13.438 -0.327 3.969 1.00 0.00 N ATOM 184 CA LEU A 8 -12.779 -1.424 4.669 1.00 0.00 C ATOM 185 C LEU A 8 -11.358 -1.040 5.069 1.00 0.00 C ATOM 186 O LEU A 8 -10.679 -0.303 4.354 1.00 0.00 O ATOM 187 CB LEU A 8 -12.753 -2.674 3.788 1.00 0.00 C ATOM 188 CG LEU A 8 -14.092 -3.095 3.181 1.00 0.00 C ATOM 189 CD1 LEU A 8 -13.938 -4.388 2.394 1.00 0.00 C ATOM 190 CD2 LEU A 8 -15.145 -3.253 4.268 1.00 0.00 C ATOM 0 H LEU A 8 -13.312 -0.337 2.957 1.00 0.00 H new ATOM 0 HA LEU A 8 -13.346 -1.637 5.575 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.045 -2.507 2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.368 -3.504 4.381 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.420 -2.313 2.496 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.901 -4.672 1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -13.216 -4.241 1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.587 -5.178 3.058 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -16.091 -3.553 3.817 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -14.824 -4.015 4.978 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.276 -2.304 4.789 1.00 0.00 H new ATOM 202 N TYR A 9 -10.915 -1.546 6.214 1.00 0.00 N ATOM 203 CA TYR A 9 -9.574 -1.255 6.710 1.00 0.00 C ATOM 204 C TYR A 9 -8.640 -2.440 6.479 1.00 0.00 C ATOM 205 O TYR A 9 -8.957 -3.574 6.838 1.00 0.00 O ATOM 206 CB TYR A 9 -9.622 -0.911 8.199 1.00 0.00 C ATOM 207 CG TYR A 9 -8.257 -0.833 8.846 1.00 0.00 C ATOM 208 CD1 TYR A 9 -7.562 -1.986 9.188 1.00 0.00 C ATOM 209 CD2 TYR A 9 -7.663 0.395 9.115 1.00 0.00 C ATOM 210 CE1 TYR A 9 -6.315 -1.919 9.780 1.00 0.00 C ATOM 211 CE2 TYR A 9 -6.417 0.471 9.705 1.00 0.00 C ATOM 212 CZ TYR A 9 -5.747 -0.688 10.036 1.00 0.00 C ATOM 213 OH TYR A 9 -4.505 -0.617 10.625 1.00 0.00 O ATOM 0 H TYR A 9 -11.464 -2.159 6.816 1.00 0.00 H new ATOM 0 HA TYR A 9 -9.187 -0.398 6.159 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -10.131 0.045 8.327 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -10.219 -1.661 8.718 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -8.004 -2.951 8.988 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -8.185 1.305 8.858 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.788 -2.825 10.041 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.969 1.433 9.906 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.248 0.322 10.735 1.00 0.00 H new ATOM 223 N VAL A 10 -7.486 -2.167 5.879 1.00 0.00 N ATOM 224 CA VAL A 10 -6.504 -3.207 5.601 1.00 0.00 C ATOM 225 C VAL A 10 -5.189 -2.928 6.321 1.00 0.00 C ATOM 226 O VAL A 10 -4.713 -1.794 6.348 1.00 0.00 O ATOM 227 CB VAL A 10 -6.232 -3.335 4.091 1.00 0.00 C ATOM 228 CG1 VAL A 10 -5.210 -4.428 3.822 1.00 0.00 C ATOM 229 CG2 VAL A 10 -7.526 -3.607 3.338 1.00 0.00 C ATOM 0 H VAL A 10 -7.208 -1.233 5.576 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.924 -4.144 5.967 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.821 -2.391 3.733 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.031 -4.503 2.749 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.276 -4.186 4.329 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.589 -5.380 4.194 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.315 -3.695 2.272 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.968 -4.536 3.698 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.223 -2.785 3.504 1.00 0.00 H new ATOM 239 N GLY A 11 -4.606 -3.972 6.904 1.00 0.00 N ATOM 240 CA GLY A 11 -3.351 -3.818 7.616 1.00 0.00 C ATOM 241 C GLY A 11 -2.363 -4.921 7.293 1.00 0.00 C ATOM 242 O GLY A 11 -2.697 -5.881 6.600 1.00 0.00 O ATOM 0 H GLY A 11 -4.981 -4.921 6.896 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.910 -2.854 7.364 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.544 -3.810 8.689 1.00 0.00 H new ATOM 246 N GLY A 12 -1.139 -4.782 7.794 1.00 0.00 N ATOM 247 CA GLY A 12 -0.116 -5.781 7.542 1.00 0.00 C ATOM 248 C GLY A 12 0.326 -5.804 6.092 1.00 0.00 C ATOM 249 O GLY A 12 0.874 -6.801 5.619 1.00 0.00 O ATOM 0 H GLY A 12 -0.838 -3.996 8.370 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.746 -5.582 8.179 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.497 -6.764 7.818 1.00 0.00 H new ATOM 253 N LEU A 13 0.087 -4.706 5.384 1.00 0.00 N ATOM 254 CA LEU A 13 0.463 -4.605 3.979 1.00 0.00 C ATOM 255 C LEU A 13 1.980 -4.623 3.818 1.00 0.00 C ATOM 256 O LEU A 13 2.717 -4.682 4.801 1.00 0.00 O ATOM 257 CB LEU A 13 -0.111 -3.325 3.368 1.00 0.00 C ATOM 258 CG LEU A 13 -1.635 -3.255 3.264 1.00 0.00 C ATOM 259 CD1 LEU A 13 -2.072 -1.896 2.739 1.00 0.00 C ATOM 260 CD2 LEU A 13 -2.160 -4.369 2.370 1.00 0.00 C ATOM 0 H LEU A 13 -0.366 -3.873 5.760 1.00 0.00 H new ATOM 0 HA LEU A 13 0.051 -5.467 3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.232 -2.478 3.962 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.307 -3.204 2.369 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.055 -3.388 4.261 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.159 -1.865 2.672 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.728 -1.116 3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.642 -1.732 1.751 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.246 -4.304 2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.732 -4.267 1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.878 -5.335 2.789 1.00 0.00 H new ATOM 272 N ALA A 14 2.438 -4.570 2.572 1.00 0.00 N ATOM 273 CA ALA A 14 3.867 -4.576 2.282 1.00 0.00 C ATOM 274 C ALA A 14 4.374 -3.168 1.993 1.00 0.00 C ATOM 275 O ALA A 14 3.629 -2.195 2.104 1.00 0.00 O ATOM 276 CB ALA A 14 4.164 -5.498 1.109 1.00 0.00 C ATOM 0 H ALA A 14 1.840 -4.522 1.747 1.00 0.00 H new ATOM 0 HA ALA A 14 4.390 -4.948 3.163 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.235 -5.492 0.904 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.847 -6.512 1.354 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.624 -5.151 0.228 1.00 0.00 H new ATOM 282 N GLU A 15 5.647 -3.067 1.622 1.00 0.00 N ATOM 283 CA GLU A 15 6.253 -1.776 1.318 1.00 0.00 C ATOM 284 C GLU A 15 6.028 -1.399 -0.144 1.00 0.00 C ATOM 285 O GLU A 15 6.133 -0.232 -0.517 1.00 0.00 O ATOM 286 CB GLU A 15 7.752 -1.807 1.623 1.00 0.00 C ATOM 287 CG GLU A 15 8.548 -2.688 0.675 1.00 0.00 C ATOM 288 CD GLU A 15 10.039 -2.420 0.743 1.00 0.00 C ATOM 289 OE1 GLU A 15 10.694 -2.941 1.670 1.00 0.00 O ATOM 290 OE2 GLU A 15 10.551 -1.689 -0.131 1.00 0.00 O ATOM 0 H GLU A 15 6.278 -3.863 1.525 1.00 0.00 H new ATOM 0 HA GLU A 15 5.777 -1.023 1.946 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.145 -0.791 1.577 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.899 -2.160 2.644 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.360 -3.735 0.913 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.200 -2.526 -0.345 1.00 0.00 H new ATOM 297 N GLU A 16 5.720 -2.398 -0.965 1.00 0.00 N ATOM 298 CA GLU A 16 5.482 -2.172 -2.386 1.00 0.00 C ATOM 299 C GLU A 16 3.993 -2.262 -2.709 1.00 0.00 C ATOM 300 O GLU A 16 3.609 -2.572 -3.836 1.00 0.00 O ATOM 301 CB GLU A 16 6.259 -3.189 -3.224 1.00 0.00 C ATOM 302 CG GLU A 16 7.688 -2.768 -3.521 1.00 0.00 C ATOM 303 CD GLU A 16 7.778 -1.770 -4.659 1.00 0.00 C ATOM 304 OE1 GLU A 16 6.901 -0.884 -4.741 1.00 0.00 O ATOM 305 OE2 GLU A 16 8.724 -1.874 -5.467 1.00 0.00 O ATOM 0 H GLU A 16 5.629 -3.371 -0.671 1.00 0.00 H new ATOM 0 HA GLU A 16 5.830 -1.169 -2.631 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.272 -4.145 -2.700 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.733 -3.349 -4.165 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.128 -2.331 -2.624 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.279 -3.650 -3.769 1.00 0.00 H new ATOM 312 N VAL A 17 3.159 -1.987 -1.711 1.00 0.00 N ATOM 313 CA VAL A 17 1.713 -2.036 -1.888 1.00 0.00 C ATOM 314 C VAL A 17 1.096 -0.648 -1.755 1.00 0.00 C ATOM 315 O VAL A 17 1.300 0.040 -0.755 1.00 0.00 O ATOM 316 CB VAL A 17 1.054 -2.979 -0.864 1.00 0.00 C ATOM 317 CG1 VAL A 17 -0.462 -2.870 -0.936 1.00 0.00 C ATOM 318 CG2 VAL A 17 1.505 -4.413 -1.093 1.00 0.00 C ATOM 0 H VAL A 17 3.460 -1.728 -0.772 1.00 0.00 H new ATOM 0 HA VAL A 17 1.530 -2.417 -2.892 1.00 0.00 H new ATOM 0 HB VAL A 17 1.369 -2.679 0.135 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.910 -3.543 -0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.764 -1.846 -0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.799 -3.143 -1.936 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.030 -5.065 -0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.221 -4.728 -2.097 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.588 -4.475 -0.986 1.00 0.00 H new ATOM 328 N ASP A 18 0.341 -0.243 -2.770 1.00 0.00 N ATOM 329 CA ASP A 18 -0.308 1.063 -2.767 1.00 0.00 C ATOM 330 C ASP A 18 -1.745 0.958 -3.269 1.00 0.00 C ATOM 331 O ASP A 18 -2.244 -0.138 -3.526 1.00 0.00 O ATOM 332 CB ASP A 18 0.477 2.049 -3.633 1.00 0.00 C ATOM 333 CG ASP A 18 1.977 1.893 -3.474 1.00 0.00 C ATOM 334 OD1 ASP A 18 2.534 2.460 -2.510 1.00 0.00 O ATOM 335 OD2 ASP A 18 2.593 1.203 -4.312 1.00 0.00 O ATOM 0 H ASP A 18 0.163 -0.800 -3.606 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.327 1.429 -1.740 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.208 1.903 -4.679 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.191 3.067 -3.370 1.00 0.00 H new ATOM 340 N ASP A 19 -2.404 2.103 -3.405 1.00 0.00 N ATOM 341 CA ASP A 19 -3.783 2.139 -3.877 1.00 0.00 C ATOM 342 C ASP A 19 -3.924 1.398 -5.203 1.00 0.00 C ATOM 343 O ASP A 19 -5.003 0.910 -5.542 1.00 0.00 O ATOM 344 CB ASP A 19 -4.252 3.587 -4.036 1.00 0.00 C ATOM 345 CG ASP A 19 -3.207 4.465 -4.696 1.00 0.00 C ATOM 346 OD1 ASP A 19 -2.268 4.898 -3.996 1.00 0.00 O ATOM 347 OD2 ASP A 19 -3.328 4.718 -5.912 1.00 0.00 O ATOM 0 H ASP A 19 -2.006 3.018 -3.195 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.408 1.641 -3.135 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.166 3.607 -4.629 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.499 3.995 -3.056 1.00 0.00 H new ATOM 352 N LYS A 20 -2.828 1.317 -5.949 1.00 0.00 N ATOM 353 CA LYS A 20 -2.828 0.635 -7.238 1.00 0.00 C ATOM 354 C LYS A 20 -2.800 -0.878 -7.053 1.00 0.00 C ATOM 355 O LYS A 20 -3.621 -1.599 -7.622 1.00 0.00 O ATOM 356 CB LYS A 20 -1.625 1.079 -8.073 1.00 0.00 C ATOM 357 CG LYS A 20 -1.709 2.521 -8.543 1.00 0.00 C ATOM 358 CD LYS A 20 -1.006 3.464 -7.582 1.00 0.00 C ATOM 359 CE LYS A 20 0.464 3.628 -7.938 1.00 0.00 C ATOM 360 NZ LYS A 20 1.314 2.602 -7.272 1.00 0.00 N ATOM 0 H LYS A 20 -1.927 1.715 -5.683 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.746 0.903 -7.762 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.717 0.950 -7.484 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.536 0.427 -8.942 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.261 2.608 -9.533 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.755 2.812 -8.640 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.497 4.437 -7.601 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.095 3.082 -6.565 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.586 3.555 -9.019 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.800 4.623 -7.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.087 3.072 -6.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.736 2.054 -6.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.713 1.963 -7.989 1.00 0.00 H new ATOM 374 N VAL A 21 -1.853 -1.355 -6.251 1.00 0.00 N ATOM 375 CA VAL A 21 -1.721 -2.783 -5.989 1.00 0.00 C ATOM 376 C VAL A 21 -2.976 -3.338 -5.325 1.00 0.00 C ATOM 377 O VAL A 21 -3.451 -4.419 -5.676 1.00 0.00 O ATOM 378 CB VAL A 21 -0.505 -3.078 -5.090 1.00 0.00 C ATOM 379 CG1 VAL A 21 -0.325 -4.578 -4.911 1.00 0.00 C ATOM 380 CG2 VAL A 21 0.752 -2.448 -5.671 1.00 0.00 C ATOM 0 H VAL A 21 -1.166 -0.773 -5.772 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.578 -3.270 -6.953 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.685 -2.638 -4.109 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.538 -4.767 -4.273 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.217 -4.999 -4.448 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.167 -5.044 -5.884 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.601 -2.666 -5.023 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.938 -2.857 -6.664 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.618 -1.369 -5.743 1.00 0.00 H new ATOM 390 N LEU A 22 -3.510 -2.592 -4.364 1.00 0.00 N ATOM 391 CA LEU A 22 -4.712 -3.009 -3.651 1.00 0.00 C ATOM 392 C LEU A 22 -5.943 -2.894 -4.544 1.00 0.00 C ATOM 393 O LEU A 22 -6.790 -3.788 -4.569 1.00 0.00 O ATOM 394 CB LEU A 22 -4.901 -2.161 -2.391 1.00 0.00 C ATOM 395 CG LEU A 22 -3.988 -2.499 -1.212 1.00 0.00 C ATOM 396 CD1 LEU A 22 -4.061 -1.411 -0.152 1.00 0.00 C ATOM 397 CD2 LEU A 22 -4.362 -3.850 -0.619 1.00 0.00 C ATOM 0 H LEU A 22 -3.130 -1.696 -4.061 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.591 -4.054 -3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.748 -1.115 -2.655 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.936 -2.259 -2.063 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.962 -2.555 -1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.405 -1.668 0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.745 -0.461 -0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.086 -1.322 0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.702 -4.075 0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.394 -3.821 -0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.258 -4.623 -1.380 1.00 0.00 H new ATOM 409 N HIS A 23 -6.035 -1.789 -5.277 1.00 0.00 N ATOM 410 CA HIS A 23 -7.162 -1.559 -6.175 1.00 0.00 C ATOM 411 C HIS A 23 -7.395 -2.768 -7.075 1.00 0.00 C ATOM 412 O HIS A 23 -8.516 -3.261 -7.190 1.00 0.00 O ATOM 413 CB HIS A 23 -6.916 -0.314 -7.027 1.00 0.00 C ATOM 414 CG HIS A 23 -7.726 -0.280 -8.286 1.00 0.00 C ATOM 415 ND1 HIS A 23 -7.659 -1.263 -9.251 1.00 0.00 N ATOM 416 CD2 HIS A 23 -8.627 0.625 -8.735 1.00 0.00 C ATOM 417 CE1 HIS A 23 -8.482 -0.963 -10.240 1.00 0.00 C ATOM 418 NE2 HIS A 23 -9.082 0.178 -9.951 1.00 0.00 N ATOM 0 H HIS A 23 -5.344 -1.039 -5.267 1.00 0.00 H new ATOM 0 HA HIS A 23 -8.053 -1.404 -5.567 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.143 0.572 -6.435 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.858 -0.263 -7.284 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.931 1.530 -8.231 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -8.638 -1.550 -11.133 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -9.771 0.650 -10.536 1.00 0.00 H new ATOM 426 N ALA A 24 -6.328 -3.240 -7.712 1.00 0.00 N ATOM 427 CA ALA A 24 -6.416 -4.392 -8.602 1.00 0.00 C ATOM 428 C ALA A 24 -6.608 -5.682 -7.811 1.00 0.00 C ATOM 429 O ALA A 24 -7.063 -6.689 -8.351 1.00 0.00 O ATOM 430 CB ALA A 24 -5.172 -4.483 -9.472 1.00 0.00 C ATOM 0 H ALA A 24 -5.392 -2.842 -7.628 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.286 -4.258 -9.245 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.251 -5.347 -10.131 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.080 -3.577 -10.071 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.292 -4.590 -8.838 1.00 0.00 H new ATOM 436 N ALA A 25 -6.257 -5.643 -6.530 1.00 0.00 N ATOM 437 CA ALA A 25 -6.392 -6.809 -5.666 1.00 0.00 C ATOM 438 C ALA A 25 -7.793 -6.891 -5.069 1.00 0.00 C ATOM 439 O ALA A 25 -8.196 -7.930 -4.546 1.00 0.00 O ATOM 440 CB ALA A 25 -5.347 -6.770 -4.560 1.00 0.00 C ATOM 0 H ALA A 25 -5.877 -4.817 -6.068 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.231 -7.700 -6.273 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.459 -7.647 -3.922 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.350 -6.768 -5.001 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.482 -5.868 -3.964 1.00 0.00 H new ATOM 446 N PHE A 26 -8.531 -5.789 -5.150 1.00 0.00 N ATOM 447 CA PHE A 26 -9.887 -5.736 -4.617 1.00 0.00 C ATOM 448 C PHE A 26 -10.893 -5.419 -5.719 1.00 0.00 C ATOM 449 O PHE A 26 -12.096 -5.327 -5.469 1.00 0.00 O ATOM 450 CB PHE A 26 -9.981 -4.687 -3.507 1.00 0.00 C ATOM 451 CG PHE A 26 -9.332 -5.114 -2.222 1.00 0.00 C ATOM 452 CD1 PHE A 26 -8.015 -5.541 -2.204 1.00 0.00 C ATOM 453 CD2 PHE A 26 -10.041 -5.088 -1.031 1.00 0.00 C ATOM 454 CE1 PHE A 26 -7.415 -5.935 -1.022 1.00 0.00 C ATOM 455 CE2 PHE A 26 -9.446 -5.480 0.153 1.00 0.00 C ATOM 456 CZ PHE A 26 -8.132 -5.905 0.158 1.00 0.00 C ATOM 0 H PHE A 26 -8.213 -4.920 -5.580 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.126 -6.715 -4.203 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.515 -3.763 -3.851 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -11.031 -4.463 -3.318 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.450 -5.567 -3.124 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -11.069 -4.758 -1.028 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.387 -6.266 -1.022 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.009 -5.454 1.075 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.666 -6.213 1.082 1.00 0.00 H new ATOM 466 N ILE A 27 -10.393 -5.252 -6.939 1.00 0.00 N ATOM 467 CA ILE A 27 -11.247 -4.945 -8.079 1.00 0.00 C ATOM 468 C ILE A 27 -12.278 -6.045 -8.305 1.00 0.00 C ATOM 469 O ILE A 27 -13.395 -5.800 -8.762 1.00 0.00 O ATOM 470 CB ILE A 27 -10.422 -4.758 -9.366 1.00 0.00 C ATOM 471 CG1 ILE A 27 -11.225 -3.970 -10.403 1.00 0.00 C ATOM 472 CG2 ILE A 27 -10.003 -6.108 -9.928 1.00 0.00 C ATOM 473 CD1 ILE A 27 -11.478 -2.532 -10.006 1.00 0.00 C ATOM 0 H ILE A 27 -9.401 -5.324 -7.163 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.760 -4.012 -7.847 1.00 0.00 H new ATOM 0 HB ILE A 27 -9.523 -4.192 -9.124 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.692 -3.988 -11.353 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -12.181 -4.467 -10.565 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -9.421 -5.959 -10.837 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.397 -6.636 -9.192 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -10.890 -6.698 -10.158 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.052 -2.034 -10.788 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.038 -2.506 -9.071 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.526 -2.018 -9.873 1.00 0.00 H new ATOM 485 N PRO A 28 -11.898 -7.289 -7.976 1.00 0.00 N ATOM 486 CA PRO A 28 -12.777 -8.452 -8.132 1.00 0.00 C ATOM 487 C PRO A 28 -14.059 -8.324 -7.317 1.00 0.00 C ATOM 488 O PRO A 28 -15.160 -8.329 -7.868 1.00 0.00 O ATOM 489 CB PRO A 28 -11.925 -9.612 -7.609 1.00 0.00 C ATOM 490 CG PRO A 28 -10.520 -9.128 -7.714 1.00 0.00 C ATOM 491 CD PRO A 28 -10.583 -7.655 -7.425 1.00 0.00 C ATOM 0 HA PRO A 28 -13.108 -8.578 -9.163 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.183 -9.859 -6.579 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -12.078 -10.514 -8.201 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -9.874 -9.641 -7.002 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.113 -9.316 -8.707 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.516 -7.446 -6.357 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.772 -7.110 -7.908 1.00 0.00 H new ATOM 499 N PHE A 29 -13.910 -8.208 -6.002 1.00 0.00 N ATOM 500 CA PHE A 29 -15.057 -8.078 -5.111 1.00 0.00 C ATOM 501 C PHE A 29 -16.152 -7.231 -5.753 1.00 0.00 C ATOM 502 O PHE A 29 -17.227 -7.731 -6.081 1.00 0.00 O ATOM 503 CB PHE A 29 -14.629 -7.455 -3.780 1.00 0.00 C ATOM 504 CG PHE A 29 -13.725 -8.338 -2.968 1.00 0.00 C ATOM 505 CD1 PHE A 29 -14.181 -9.550 -2.473 1.00 0.00 C ATOM 506 CD2 PHE A 29 -12.421 -7.957 -2.699 1.00 0.00 C ATOM 507 CE1 PHE A 29 -13.352 -10.365 -1.726 1.00 0.00 C ATOM 508 CE2 PHE A 29 -11.587 -8.768 -1.953 1.00 0.00 C ATOM 509 CZ PHE A 29 -12.054 -9.973 -1.464 1.00 0.00 C ATOM 0 H PHE A 29 -13.006 -8.201 -5.529 1.00 0.00 H new ATOM 0 HA PHE A 29 -15.455 -9.076 -4.926 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -14.121 -6.511 -3.977 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -15.518 -7.222 -3.194 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -15.196 -9.861 -2.673 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -12.052 -7.015 -3.077 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.719 -11.308 -1.347 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.571 -8.460 -1.752 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.405 -10.607 -0.878 1.00 0.00 H new ATOM 519 N GLY A 30 -15.869 -5.944 -5.928 1.00 0.00 N ATOM 520 CA GLY A 30 -16.839 -5.047 -6.529 1.00 0.00 C ATOM 521 C GLY A 30 -16.186 -3.950 -7.347 1.00 0.00 C ATOM 522 O GLY A 30 -15.187 -4.186 -8.028 1.00 0.00 O ATOM 0 H GLY A 30 -14.986 -5.507 -5.665 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -17.512 -5.620 -7.167 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -17.448 -4.597 -5.745 1.00 0.00 H new ATOM 526 N ASP A 31 -16.750 -2.750 -7.282 1.00 0.00 N ATOM 527 CA ASP A 31 -16.216 -1.613 -8.023 1.00 0.00 C ATOM 528 C ASP A 31 -15.696 -0.540 -7.072 1.00 0.00 C ATOM 529 O ASP A 31 -16.444 0.339 -6.642 1.00 0.00 O ATOM 530 CB ASP A 31 -17.291 -1.023 -8.938 1.00 0.00 C ATOM 531 CG ASP A 31 -17.620 -1.932 -10.106 1.00 0.00 C ATOM 532 OD1 ASP A 31 -16.678 -2.382 -10.791 1.00 0.00 O ATOM 533 OD2 ASP A 31 -18.819 -2.194 -10.333 1.00 0.00 O ATOM 0 H ASP A 31 -17.577 -2.539 -6.724 1.00 0.00 H new ATOM 0 HA ASP A 31 -15.384 -1.967 -8.633 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -18.196 -0.839 -8.359 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -16.953 -0.058 -9.316 1.00 0.00 H new ATOM 538 N ILE A 32 -14.410 -0.619 -6.746 1.00 0.00 N ATOM 539 CA ILE A 32 -13.790 0.345 -5.845 1.00 0.00 C ATOM 540 C ILE A 32 -14.092 1.776 -6.280 1.00 0.00 C ATOM 541 O ILE A 32 -13.635 2.228 -7.330 1.00 0.00 O ATOM 542 CB ILE A 32 -12.264 0.152 -5.778 1.00 0.00 C ATOM 543 CG1 ILE A 32 -11.927 -1.273 -5.334 1.00 0.00 C ATOM 544 CG2 ILE A 32 -11.643 1.168 -4.831 1.00 0.00 C ATOM 545 CD1 ILE A 32 -10.482 -1.652 -5.566 1.00 0.00 C ATOM 0 H ILE A 32 -13.777 -1.340 -7.092 1.00 0.00 H new ATOM 0 HA ILE A 32 -14.213 0.171 -4.856 1.00 0.00 H new ATOM 0 HB ILE A 32 -11.849 0.310 -6.773 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -12.156 -1.378 -4.274 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -12.568 -1.973 -5.870 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.564 1.019 -4.794 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -11.858 2.176 -5.186 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -12.061 1.038 -3.833 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.315 -2.675 -5.228 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.253 -1.579 -6.629 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -9.834 -0.975 -5.008 1.00 0.00 H new ATOM 557 N THR A 33 -14.863 2.486 -5.463 1.00 0.00 N ATOM 558 CA THR A 33 -15.226 3.866 -5.761 1.00 0.00 C ATOM 559 C THR A 33 -14.040 4.802 -5.559 1.00 0.00 C ATOM 560 O THR A 33 -13.761 5.657 -6.399 1.00 0.00 O ATOM 561 CB THR A 33 -16.397 4.342 -4.882 1.00 0.00 C ATOM 562 OG1 THR A 33 -16.019 4.308 -3.501 1.00 0.00 O ATOM 563 CG2 THR A 33 -17.625 3.471 -5.098 1.00 0.00 C ATOM 0 H THR A 33 -15.248 2.128 -4.589 1.00 0.00 H new ATOM 0 HA THR A 33 -15.533 3.893 -6.807 1.00 0.00 H new ATOM 0 HB THR A 33 -16.642 5.365 -5.166 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.515 4.995 -3.009 1.00 0.00 H new ATOM 0 HG21 THR A 33 -18.439 3.827 -4.466 1.00 0.00 H new ATOM 0 HG22 THR A 33 -17.928 3.522 -6.144 1.00 0.00 H new ATOM 0 HG23 THR A 33 -17.389 2.439 -4.839 1.00 0.00 H new ATOM 571 N ASP A 34 -13.344 4.635 -4.439 1.00 0.00 N ATOM 572 CA ASP A 34 -12.186 5.464 -4.127 1.00 0.00 C ATOM 573 C ASP A 34 -11.328 4.814 -3.046 1.00 0.00 C ATOM 574 O ASP A 34 -11.819 4.017 -2.245 1.00 0.00 O ATOM 575 CB ASP A 34 -12.635 6.854 -3.672 1.00 0.00 C ATOM 576 CG ASP A 34 -13.748 7.414 -4.536 1.00 0.00 C ATOM 577 OD1 ASP A 34 -13.441 7.966 -5.613 1.00 0.00 O ATOM 578 OD2 ASP A 34 -14.925 7.301 -4.135 1.00 0.00 O ATOM 0 H ASP A 34 -13.562 3.933 -3.732 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.586 5.562 -5.032 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.973 6.803 -2.637 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.783 7.534 -3.696 1.00 0.00 H new ATOM 583 N ILE A 35 -10.045 5.159 -3.029 1.00 0.00 N ATOM 584 CA ILE A 35 -9.119 4.609 -2.047 1.00 0.00 C ATOM 585 C ILE A 35 -8.291 5.711 -1.395 1.00 0.00 C ATOM 586 O ILE A 35 -7.948 6.704 -2.036 1.00 0.00 O ATOM 587 CB ILE A 35 -8.170 3.577 -2.684 1.00 0.00 C ATOM 588 CG1 ILE A 35 -8.972 2.452 -3.341 1.00 0.00 C ATOM 589 CG2 ILE A 35 -7.219 3.016 -1.637 1.00 0.00 C ATOM 590 CD1 ILE A 35 -8.157 1.607 -4.295 1.00 0.00 C ATOM 0 H ILE A 35 -9.623 5.817 -3.684 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.723 4.114 -1.287 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.580 4.074 -3.454 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.387 1.810 -2.564 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.815 2.884 -3.880 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.554 2.288 -2.102 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.628 3.827 -1.211 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.793 2.531 -0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.789 0.830 -4.724 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.764 2.236 -5.094 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.329 1.145 -3.756 1.00 0.00 H new ATOM 602 N GLN A 36 -7.972 5.527 -0.118 1.00 0.00 N ATOM 603 CA GLN A 36 -7.183 6.506 0.620 1.00 0.00 C ATOM 604 C GLN A 36 -5.945 5.857 1.231 1.00 0.00 C ATOM 605 O GLN A 36 -6.037 4.822 1.891 1.00 0.00 O ATOM 606 CB GLN A 36 -8.029 7.152 1.718 1.00 0.00 C ATOM 607 CG GLN A 36 -8.841 8.344 1.239 1.00 0.00 C ATOM 608 CD GLN A 36 -9.439 8.128 -0.137 1.00 0.00 C ATOM 609 OE1 GLN A 36 -9.205 8.910 -1.059 1.00 0.00 O ATOM 610 NE2 GLN A 36 -10.217 7.061 -0.284 1.00 0.00 N ATOM 0 H GLN A 36 -8.248 4.710 0.427 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.860 7.277 -0.080 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.706 6.404 2.131 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.374 7.471 2.529 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.641 8.543 1.952 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.204 9.228 1.219 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.384 6.439 0.507 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.647 6.864 -1.188 1.00 0.00 H new ATOM 619 N ILE A 37 -4.789 6.473 1.007 1.00 0.00 N ATOM 620 CA ILE A 37 -3.533 5.955 1.536 1.00 0.00 C ATOM 621 C ILE A 37 -2.830 6.996 2.400 1.00 0.00 C ATOM 622 O ILE A 37 -2.428 8.061 1.930 1.00 0.00 O ATOM 623 CB ILE A 37 -2.584 5.517 0.405 1.00 0.00 C ATOM 624 CG1 ILE A 37 -3.288 4.530 -0.528 1.00 0.00 C ATOM 625 CG2 ILE A 37 -1.320 4.898 0.985 1.00 0.00 C ATOM 626 CD1 ILE A 37 -3.379 3.128 0.033 1.00 0.00 C ATOM 0 H ILE A 37 -4.696 7.331 0.463 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.782 5.087 2.147 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.302 6.396 -0.174 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.294 4.895 -0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.756 4.498 -1.479 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.659 4.593 0.174 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.811 5.630 1.612 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.584 4.027 1.585 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.890 2.483 -0.682 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.376 2.744 0.216 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.937 3.146 0.969 1.00 0.00 H new ATOM 638 N PRO A 38 -2.676 6.684 3.696 1.00 0.00 N ATOM 639 CA PRO A 38 -2.018 7.578 4.653 1.00 0.00 C ATOM 640 C PRO A 38 -0.519 7.696 4.401 1.00 0.00 C ATOM 641 O PRO A 38 0.242 6.767 4.677 1.00 0.00 O ATOM 642 CB PRO A 38 -2.283 6.908 6.004 1.00 0.00 C ATOM 643 CG PRO A 38 -2.479 5.467 5.680 1.00 0.00 C ATOM 644 CD PRO A 38 -3.130 5.432 4.325 1.00 0.00 C ATOM 0 HA PRO A 38 -2.398 8.598 4.586 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.446 7.050 6.687 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.164 7.328 6.488 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.527 4.936 5.669 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.106 4.981 6.427 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.819 4.559 3.752 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.217 5.392 4.402 1.00 0.00 H new ATOM 652 N LEU A 39 -0.100 8.842 3.877 1.00 0.00 N ATOM 653 CA LEU A 39 1.310 9.082 3.589 1.00 0.00 C ATOM 654 C LEU A 39 1.747 10.447 4.109 1.00 0.00 C ATOM 655 O LEU A 39 0.920 11.331 4.336 1.00 0.00 O ATOM 656 CB LEU A 39 1.565 8.991 2.084 1.00 0.00 C ATOM 657 CG LEU A 39 0.963 7.778 1.373 1.00 0.00 C ATOM 658 CD1 LEU A 39 0.986 7.978 -0.135 1.00 0.00 C ATOM 659 CD2 LEU A 39 1.712 6.510 1.756 1.00 0.00 C ATOM 0 H LEU A 39 -0.716 9.620 3.643 1.00 0.00 H new ATOM 0 HA LEU A 39 1.895 8.316 4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.174 9.893 1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.642 8.987 1.918 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.075 7.673 1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.554 7.105 -0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.405 8.864 -0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.015 8.109 -0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.270 5.657 1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.759 6.605 1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.644 6.359 2.833 1.00 0.00 H new ATOM 671 N ASP A 40 3.052 10.614 4.294 1.00 0.00 N ATOM 672 CA ASP A 40 3.601 11.873 4.784 1.00 0.00 C ATOM 673 C ASP A 40 3.770 12.872 3.644 1.00 0.00 C ATOM 674 O ASP A 40 3.693 12.509 2.470 1.00 0.00 O ATOM 675 CB ASP A 40 4.945 11.634 5.473 1.00 0.00 C ATOM 676 CG ASP A 40 5.281 12.719 6.478 1.00 0.00 C ATOM 677 OD1 ASP A 40 4.366 13.157 7.205 1.00 0.00 O ATOM 678 OD2 ASP A 40 6.459 13.130 6.536 1.00 0.00 O ATOM 0 H ASP A 40 3.750 9.893 4.112 1.00 0.00 H new ATOM 0 HA ASP A 40 2.900 12.290 5.507 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.924 10.668 5.978 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.732 11.583 4.721 1.00 0.00 H new ATOM 683 N TYR A 41 4.001 14.132 3.997 1.00 0.00 N ATOM 684 CA TYR A 41 4.178 15.184 3.004 1.00 0.00 C ATOM 685 C TYR A 41 5.654 15.368 2.662 1.00 0.00 C ATOM 686 O TYR A 41 6.002 16.128 1.759 1.00 0.00 O ATOM 687 CB TYR A 41 3.593 16.501 3.516 1.00 0.00 C ATOM 688 CG TYR A 41 3.944 16.800 4.956 1.00 0.00 C ATOM 689 CD1 TYR A 41 3.212 16.246 5.999 1.00 0.00 C ATOM 690 CD2 TYR A 41 5.007 17.637 5.274 1.00 0.00 C ATOM 691 CE1 TYR A 41 3.528 16.517 7.316 1.00 0.00 C ATOM 692 CE2 TYR A 41 5.331 17.912 6.588 1.00 0.00 C ATOM 693 CZ TYR A 41 4.589 17.350 7.606 1.00 0.00 C ATOM 694 OH TYR A 41 4.908 17.622 8.916 1.00 0.00 O ATOM 0 H TYR A 41 4.070 14.449 4.964 1.00 0.00 H new ATOM 0 HA TYR A 41 3.649 14.887 2.099 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.950 17.316 2.887 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.508 16.471 3.414 1.00 0.00 H new ATOM 0 HD1 TYR A 41 2.382 15.592 5.776 1.00 0.00 H new ATOM 0 HD2 TYR A 41 5.590 18.080 4.480 1.00 0.00 H new ATOM 0 HE1 TYR A 41 2.948 16.079 8.115 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.161 18.564 6.817 1.00 0.00 H new ATOM 0 HH TYR A 41 5.681 18.224 8.946 1.00 0.00 H new ATOM 704 N GLU A 42 6.515 14.667 3.392 1.00 0.00 N ATOM 705 CA GLU A 42 7.954 14.753 3.167 1.00 0.00 C ATOM 706 C GLU A 42 8.472 13.497 2.473 1.00 0.00 C ATOM 707 O GLU A 42 9.228 13.575 1.504 1.00 0.00 O ATOM 708 CB GLU A 42 8.689 14.956 4.493 1.00 0.00 C ATOM 709 CG GLU A 42 8.656 16.391 4.993 1.00 0.00 C ATOM 710 CD GLU A 42 9.830 17.210 4.492 1.00 0.00 C ATOM 711 OE1 GLU A 42 9.737 17.759 3.374 1.00 0.00 O ATOM 712 OE2 GLU A 42 10.842 17.302 5.219 1.00 0.00 O ATOM 0 H GLU A 42 6.242 14.034 4.144 1.00 0.00 H new ATOM 0 HA GLU A 42 8.144 15.609 2.520 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.245 14.307 5.248 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.727 14.645 4.375 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.726 16.862 4.673 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.656 16.392 6.083 1.00 0.00 H new ATOM 719 N THR A 43 8.059 12.337 2.976 1.00 0.00 N ATOM 720 CA THR A 43 8.482 11.064 2.407 1.00 0.00 C ATOM 721 C THR A 43 7.380 10.451 1.550 1.00 0.00 C ATOM 722 O THR A 43 7.651 9.863 0.503 1.00 0.00 O ATOM 723 CB THR A 43 8.879 10.061 3.507 1.00 0.00 C ATOM 724 OG1 THR A 43 7.776 9.845 4.394 1.00 0.00 O ATOM 725 CG2 THR A 43 10.078 10.568 4.294 1.00 0.00 C ATOM 0 H THR A 43 7.432 12.254 3.776 1.00 0.00 H new ATOM 0 HA THR A 43 9.351 11.271 1.783 1.00 0.00 H new ATOM 0 HB THR A 43 9.150 9.119 3.029 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.036 9.205 5.089 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.340 9.843 5.065 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.924 10.703 3.621 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.830 11.521 4.761 1.00 0.00 H new ATOM 733 N GLU A 44 6.138 10.595 2.001 1.00 0.00 N ATOM 734 CA GLU A 44 4.995 10.054 1.273 1.00 0.00 C ATOM 735 C GLU A 44 4.959 8.532 1.370 1.00 0.00 C ATOM 736 O GLU A 44 4.405 7.856 0.503 1.00 0.00 O ATOM 737 CB GLU A 44 5.048 10.482 -0.195 1.00 0.00 C ATOM 738 CG GLU A 44 5.622 11.873 -0.403 1.00 0.00 C ATOM 739 CD GLU A 44 5.337 12.420 -1.789 1.00 0.00 C ATOM 740 OE1 GLU A 44 6.019 11.998 -2.746 1.00 0.00 O ATOM 741 OE2 GLU A 44 4.431 13.270 -1.916 1.00 0.00 O ATOM 0 H GLU A 44 5.897 11.081 2.865 1.00 0.00 H new ATOM 0 HA GLU A 44 4.087 10.451 1.727 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.648 9.763 -0.753 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.041 10.448 -0.611 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.205 12.549 0.343 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.700 11.845 -0.242 1.00 0.00 H new ATOM 748 N LYS A 45 5.554 7.998 2.432 1.00 0.00 N ATOM 749 CA LYS A 45 5.591 6.556 2.645 1.00 0.00 C ATOM 750 C LYS A 45 4.503 6.123 3.622 1.00 0.00 C ATOM 751 O LYS A 45 4.028 6.920 4.432 1.00 0.00 O ATOM 752 CB LYS A 45 6.963 6.133 3.173 1.00 0.00 C ATOM 753 CG LYS A 45 8.114 6.531 2.264 1.00 0.00 C ATOM 754 CD LYS A 45 9.446 6.472 2.993 1.00 0.00 C ATOM 755 CE LYS A 45 9.973 5.048 3.078 1.00 0.00 C ATOM 756 NZ LYS A 45 9.466 4.341 4.287 1.00 0.00 N ATOM 0 H LYS A 45 6.017 8.543 3.159 1.00 0.00 H new ATOM 0 HA LYS A 45 5.411 6.067 1.687 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.117 6.577 4.156 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.974 5.051 3.307 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.142 5.868 1.399 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.949 7.540 1.887 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.172 7.100 2.477 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.330 6.879 3.998 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.678 4.497 2.185 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.063 5.064 3.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.219 3.739 4.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.175 5.039 5.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.650 3.750 4.027 1.00 0.00 H new ATOM 770 N HIS A 46 4.113 4.855 3.542 1.00 0.00 N ATOM 771 CA HIS A 46 3.082 4.315 4.421 1.00 0.00 C ATOM 772 C HIS A 46 3.681 3.331 5.422 1.00 0.00 C ATOM 773 O HIS A 46 4.829 2.909 5.280 1.00 0.00 O ATOM 774 CB HIS A 46 1.991 3.625 3.601 1.00 0.00 C ATOM 775 CG HIS A 46 2.331 2.218 3.216 1.00 0.00 C ATOM 776 ND1 HIS A 46 2.641 1.240 4.138 1.00 0.00 N ATOM 777 CD2 HIS A 46 2.407 1.626 2.002 1.00 0.00 C ATOM 778 CE1 HIS A 46 2.894 0.108 3.506 1.00 0.00 C ATOM 779 NE2 HIS A 46 2.758 0.315 2.209 1.00 0.00 N ATOM 0 H HIS A 46 4.495 4.182 2.877 1.00 0.00 H new ATOM 0 HA HIS A 46 2.641 5.145 4.973 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.064 3.622 4.174 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.805 4.205 2.697 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.225 2.097 1.047 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.166 -0.828 3.971 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.892 -0.385 1.480 1.00 0.00 H new ATOM 787 N ARG A 47 2.897 2.971 6.432 1.00 0.00 N ATOM 788 CA ARG A 47 3.351 2.038 7.457 1.00 0.00 C ATOM 789 C ARG A 47 2.982 0.604 7.089 1.00 0.00 C ATOM 790 O ARG A 47 3.789 -0.313 7.238 1.00 0.00 O ATOM 791 CB ARG A 47 2.743 2.401 8.813 1.00 0.00 C ATOM 792 CG ARG A 47 3.152 1.461 9.935 1.00 0.00 C ATOM 793 CD ARG A 47 4.453 1.906 10.587 1.00 0.00 C ATOM 794 NE ARG A 47 4.665 1.262 11.880 1.00 0.00 N ATOM 795 CZ ARG A 47 5.730 1.478 12.643 1.00 0.00 C ATOM 796 NH1 ARG A 47 6.675 2.318 12.244 1.00 0.00 N ATOM 797 NH2 ARG A 47 5.852 0.854 13.808 1.00 0.00 N ATOM 0 H ARG A 47 1.944 3.311 6.563 1.00 0.00 H new ATOM 0 HA ARG A 47 4.437 2.110 7.523 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.040 3.417 9.075 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.656 2.399 8.727 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.362 1.422 10.685 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.268 0.451 9.541 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.288 1.674 9.925 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.441 2.988 10.718 1.00 0.00 H new ATOM 0 HE ARG A 47 3.956 0.610 12.216 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.585 2.800 11.349 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.492 2.483 12.832 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.127 0.207 14.119 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.671 1.021 14.393 1.00 0.00 H new ATOM 811 N GLY A 48 1.757 0.418 6.608 1.00 0.00 N ATOM 812 CA GLY A 48 1.302 -0.906 6.227 1.00 0.00 C ATOM 813 C GLY A 48 -0.198 -1.068 6.372 1.00 0.00 C ATOM 814 O GLY A 48 -0.670 -2.021 6.994 1.00 0.00 O ATOM 0 H GLY A 48 1.071 1.161 6.475 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.587 -1.101 5.193 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.806 -1.651 6.843 1.00 0.00 H new ATOM 818 N PHE A 49 -0.951 -0.135 5.799 1.00 0.00 N ATOM 819 CA PHE A 49 -2.407 -0.177 5.869 1.00 0.00 C ATOM 820 C PHE A 49 -3.026 0.868 4.946 1.00 0.00 C ATOM 821 O PHE A 49 -2.356 1.804 4.511 1.00 0.00 O ATOM 822 CB PHE A 49 -2.876 0.054 7.307 1.00 0.00 C ATOM 823 CG PHE A 49 -2.121 1.142 8.016 1.00 0.00 C ATOM 824 CD1 PHE A 49 -2.290 2.469 7.656 1.00 0.00 C ATOM 825 CD2 PHE A 49 -1.242 0.837 9.043 1.00 0.00 C ATOM 826 CE1 PHE A 49 -1.597 3.473 8.306 1.00 0.00 C ATOM 827 CE2 PHE A 49 -0.547 1.837 9.698 1.00 0.00 C ATOM 828 CZ PHE A 49 -0.723 3.156 9.328 1.00 0.00 C ATOM 0 H PHE A 49 -0.577 0.660 5.281 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.734 -1.164 5.542 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.937 0.305 7.299 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -2.772 -0.875 7.868 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.972 2.722 6.858 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.098 -0.193 9.335 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.739 4.504 8.015 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.133 1.587 10.499 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.179 3.938 9.837 1.00 0.00 H new ATOM 838 N ALA A 50 -4.311 0.701 4.651 1.00 0.00 N ATOM 839 CA ALA A 50 -5.023 1.629 3.781 1.00 0.00 C ATOM 840 C ALA A 50 -6.531 1.512 3.970 1.00 0.00 C ATOM 841 O ALA A 50 -7.005 0.734 4.798 1.00 0.00 O ATOM 842 CB ALA A 50 -4.650 1.381 2.327 1.00 0.00 C ATOM 0 H ALA A 50 -4.881 -0.069 5.002 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.727 2.642 4.053 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.189 2.081 1.689 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.577 1.524 2.197 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.916 0.360 2.052 1.00 0.00 H new ATOM 848 N PHE A 51 -7.282 2.291 3.198 1.00 0.00 N ATOM 849 CA PHE A 51 -8.738 2.276 3.282 1.00 0.00 C ATOM 850 C PHE A 51 -9.361 2.175 1.893 1.00 0.00 C ATOM 851 O PHE A 51 -9.133 3.027 1.034 1.00 0.00 O ATOM 852 CB PHE A 51 -9.242 3.535 3.989 1.00 0.00 C ATOM 853 CG PHE A 51 -8.812 3.629 5.425 1.00 0.00 C ATOM 854 CD1 PHE A 51 -9.594 3.089 6.433 1.00 0.00 C ATOM 855 CD2 PHE A 51 -7.625 4.257 5.767 1.00 0.00 C ATOM 856 CE1 PHE A 51 -9.201 3.174 7.755 1.00 0.00 C ATOM 857 CE2 PHE A 51 -7.227 4.345 7.088 1.00 0.00 C ATOM 858 CZ PHE A 51 -8.015 3.802 8.083 1.00 0.00 C ATOM 0 H PHE A 51 -6.906 2.941 2.507 1.00 0.00 H new ATOM 0 HA PHE A 51 -9.035 1.400 3.859 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -8.882 4.412 3.452 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -10.331 3.557 3.942 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -10.522 2.596 6.183 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.004 4.683 4.993 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -9.821 2.750 8.531 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.300 4.838 7.341 1.00 0.00 H new ATOM 0 HZ PHE A 51 -7.705 3.868 9.115 1.00 0.00 H new ATOM 868 N VAL A 52 -10.149 1.126 1.679 1.00 0.00 N ATOM 869 CA VAL A 52 -10.807 0.913 0.396 1.00 0.00 C ATOM 870 C VAL A 52 -12.319 1.054 0.523 1.00 0.00 C ATOM 871 O VAL A 52 -12.941 0.427 1.379 1.00 0.00 O ATOM 872 CB VAL A 52 -10.479 -0.479 -0.178 1.00 0.00 C ATOM 873 CG1 VAL A 52 -11.028 -0.617 -1.590 1.00 0.00 C ATOM 874 CG2 VAL A 52 -8.978 -0.724 -0.155 1.00 0.00 C ATOM 0 H VAL A 52 -10.347 0.410 2.378 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.430 1.677 -0.284 1.00 0.00 H new ATOM 0 HB VAL A 52 -10.957 -1.233 0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -10.787 -1.606 -1.979 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.110 -0.487 -1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.581 0.144 -2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -8.764 -1.712 -0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.476 0.034 -0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.616 -0.670 0.872 1.00 0.00 H new ATOM 884 N GLU A 53 -12.905 1.883 -0.336 1.00 0.00 N ATOM 885 CA GLU A 53 -14.346 2.107 -0.319 1.00 0.00 C ATOM 886 C GLU A 53 -15.043 1.243 -1.366 1.00 0.00 C ATOM 887 O GLU A 53 -14.639 1.209 -2.528 1.00 0.00 O ATOM 888 CB GLU A 53 -14.658 3.584 -0.571 1.00 0.00 C ATOM 889 CG GLU A 53 -16.117 3.944 -0.350 1.00 0.00 C ATOM 890 CD GLU A 53 -16.386 5.426 -0.527 1.00 0.00 C ATOM 891 OE1 GLU A 53 -16.080 6.199 0.405 1.00 0.00 O ATOM 892 OE2 GLU A 53 -16.901 5.812 -1.597 1.00 0.00 O ATOM 0 H GLU A 53 -12.404 2.410 -1.052 1.00 0.00 H new ATOM 0 HA GLU A 53 -14.720 1.827 0.666 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -14.038 4.195 0.086 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.382 3.835 -1.595 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -16.736 3.380 -1.048 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -16.414 3.642 0.655 1.00 0.00 H new ATOM 899 N PHE A 54 -16.093 0.546 -0.945 1.00 0.00 N ATOM 900 CA PHE A 54 -16.847 -0.320 -1.844 1.00 0.00 C ATOM 901 C PHE A 54 -18.135 0.359 -2.300 1.00 0.00 C ATOM 902 O PHE A 54 -18.809 1.024 -1.515 1.00 0.00 O ATOM 903 CB PHE A 54 -17.172 -1.647 -1.156 1.00 0.00 C ATOM 904 CG PHE A 54 -16.019 -2.609 -1.132 1.00 0.00 C ATOM 905 CD1 PHE A 54 -14.743 -2.174 -0.812 1.00 0.00 C ATOM 906 CD2 PHE A 54 -16.211 -3.948 -1.431 1.00 0.00 C ATOM 907 CE1 PHE A 54 -13.680 -3.057 -0.789 1.00 0.00 C ATOM 908 CE2 PHE A 54 -15.152 -4.836 -1.410 1.00 0.00 C ATOM 909 CZ PHE A 54 -13.885 -4.389 -1.090 1.00 0.00 C ATOM 0 H PHE A 54 -16.441 0.564 0.014 1.00 0.00 H new ATOM 0 HA PHE A 54 -16.230 -0.516 -2.721 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -17.490 -1.448 -0.133 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -18.014 -2.115 -1.666 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -14.577 -1.133 -0.578 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -17.200 -4.302 -1.683 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.691 -2.706 -0.536 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -15.315 -5.878 -1.643 1.00 0.00 H new ATOM 0 HZ PHE A 54 -13.055 -5.080 -1.075 1.00 0.00 H new ATOM 919 N GLU A 55 -18.469 0.186 -3.575 1.00 0.00 N ATOM 920 CA GLU A 55 -19.675 0.783 -4.136 1.00 0.00 C ATOM 921 C GLU A 55 -20.905 0.396 -3.319 1.00 0.00 C ATOM 922 O GLU A 55 -21.851 1.174 -3.193 1.00 0.00 O ATOM 923 CB GLU A 55 -19.859 0.346 -5.591 1.00 0.00 C ATOM 924 CG GLU A 55 -20.781 1.253 -6.388 1.00 0.00 C ATOM 925 CD GLU A 55 -20.047 2.418 -7.023 1.00 0.00 C ATOM 926 OE1 GLU A 55 -18.969 2.191 -7.610 1.00 0.00 O ATOM 927 OE2 GLU A 55 -20.552 3.557 -6.933 1.00 0.00 O ATOM 0 H GLU A 55 -17.922 -0.362 -4.238 1.00 0.00 H new ATOM 0 HA GLU A 55 -19.562 1.867 -4.101 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -18.884 0.315 -6.078 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -20.257 -0.669 -5.609 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -21.273 0.671 -7.167 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -21.564 1.635 -5.733 1.00 0.00 H new ATOM 934 N LEU A 56 -20.884 -0.811 -2.765 1.00 0.00 N ATOM 935 CA LEU A 56 -21.996 -1.303 -1.960 1.00 0.00 C ATOM 936 C LEU A 56 -21.498 -1.883 -0.640 1.00 0.00 C ATOM 937 O LEU A 56 -20.351 -2.318 -0.535 1.00 0.00 O ATOM 938 CB LEU A 56 -22.780 -2.365 -2.732 1.00 0.00 C ATOM 939 CG LEU A 56 -23.269 -1.959 -4.123 1.00 0.00 C ATOM 940 CD1 LEU A 56 -23.784 -3.171 -4.883 1.00 0.00 C ATOM 941 CD2 LEU A 56 -24.350 -0.894 -4.019 1.00 0.00 C ATOM 0 H LEU A 56 -20.109 -1.467 -2.859 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.654 -0.462 -1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -22.151 -3.250 -2.834 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.645 -2.655 -2.135 1.00 0.00 H new ATOM 0 HG LEU A 56 -22.427 -1.541 -4.675 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -24.128 -2.862 -5.870 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -22.982 -3.901 -4.990 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.612 -3.619 -4.334 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -24.686 -0.618 -5.018 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -25.192 -1.285 -3.448 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -23.948 -0.015 -3.515 1.00 0.00 H new ATOM 953 N ALA A 57 -22.368 -1.887 0.365 1.00 0.00 N ATOM 954 CA ALA A 57 -22.018 -2.417 1.677 1.00 0.00 C ATOM 955 C ALA A 57 -21.836 -3.930 1.627 1.00 0.00 C ATOM 956 O ALA A 57 -20.826 -4.458 2.091 1.00 0.00 O ATOM 957 CB ALA A 57 -23.083 -2.046 2.697 1.00 0.00 C ATOM 0 H ALA A 57 -23.321 -1.529 0.295 1.00 0.00 H new ATOM 0 HA ALA A 57 -21.070 -1.973 1.980 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -22.809 -2.448 3.672 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -23.163 -0.961 2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -24.042 -2.463 2.389 1.00 0.00 H new ATOM 963 N GLU A 58 -22.820 -4.622 1.060 1.00 0.00 N ATOM 964 CA GLU A 58 -22.767 -6.075 0.951 1.00 0.00 C ATOM 965 C GLU A 58 -21.396 -6.535 0.463 1.00 0.00 C ATOM 966 O GLU A 58 -20.729 -7.336 1.118 1.00 0.00 O ATOM 967 CB GLU A 58 -23.854 -6.578 -0.001 1.00 0.00 C ATOM 968 CG GLU A 58 -23.778 -5.965 -1.389 1.00 0.00 C ATOM 969 CD GLU A 58 -25.087 -6.072 -2.146 1.00 0.00 C ATOM 970 OE1 GLU A 58 -26.149 -5.844 -1.530 1.00 0.00 O ATOM 971 OE2 GLU A 58 -25.051 -6.385 -3.355 1.00 0.00 O ATOM 0 H GLU A 58 -23.662 -4.200 0.670 1.00 0.00 H new ATOM 0 HA GLU A 58 -22.940 -6.494 1.942 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -23.777 -7.662 -0.087 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -24.831 -6.361 0.430 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -23.497 -4.915 -1.304 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -22.992 -6.461 -1.958 1.00 0.00 H new ATOM 978 N ASP A 59 -20.983 -6.022 -0.691 1.00 0.00 N ATOM 979 CA ASP A 59 -19.692 -6.379 -1.267 1.00 0.00 C ATOM 980 C ASP A 59 -18.576 -6.220 -0.241 1.00 0.00 C ATOM 981 O ASP A 59 -17.697 -7.074 -0.127 1.00 0.00 O ATOM 982 CB ASP A 59 -19.401 -5.513 -2.494 1.00 0.00 C ATOM 983 CG ASP A 59 -20.189 -5.953 -3.713 1.00 0.00 C ATOM 984 OD1 ASP A 59 -21.428 -5.800 -3.705 1.00 0.00 O ATOM 985 OD2 ASP A 59 -19.566 -6.451 -4.675 1.00 0.00 O ATOM 0 H ASP A 59 -21.523 -5.358 -1.246 1.00 0.00 H new ATOM 0 HA ASP A 59 -19.734 -7.425 -1.571 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -19.639 -4.474 -2.267 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -18.335 -5.554 -2.720 1.00 0.00 H new ATOM 990 N ALA A 60 -18.616 -5.120 0.504 1.00 0.00 N ATOM 991 CA ALA A 60 -17.609 -4.848 1.522 1.00 0.00 C ATOM 992 C ALA A 60 -17.543 -5.978 2.544 1.00 0.00 C ATOM 993 O ALA A 60 -16.472 -6.516 2.821 1.00 0.00 O ATOM 994 CB ALA A 60 -17.900 -3.524 2.213 1.00 0.00 C ATOM 0 H ALA A 60 -19.336 -4.402 0.421 1.00 0.00 H new ATOM 0 HA ALA A 60 -16.639 -4.782 1.030 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -17.140 -3.334 2.971 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -17.888 -2.720 1.478 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -18.881 -3.569 2.686 1.00 0.00 H new ATOM 1000 N ALA A 61 -18.696 -6.331 3.103 1.00 0.00 N ATOM 1001 CA ALA A 61 -18.770 -7.398 4.094 1.00 0.00 C ATOM 1002 C ALA A 61 -18.111 -8.673 3.578 1.00 0.00 C ATOM 1003 O ALA A 61 -17.339 -9.315 4.289 1.00 0.00 O ATOM 1004 CB ALA A 61 -20.218 -7.666 4.474 1.00 0.00 C ATOM 0 H ALA A 61 -19.592 -5.894 2.886 1.00 0.00 H new ATOM 0 HA ALA A 61 -18.227 -7.074 4.982 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -20.258 -8.465 5.214 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -20.658 -6.761 4.893 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -20.777 -7.965 3.588 1.00 0.00 H new ATOM 1010 N ALA A 62 -18.423 -9.034 2.337 1.00 0.00 N ATOM 1011 CA ALA A 62 -17.860 -10.232 1.726 1.00 0.00 C ATOM 1012 C ALA A 62 -16.339 -10.149 1.655 1.00 0.00 C ATOM 1013 O ALA A 62 -15.641 -11.124 1.932 1.00 0.00 O ATOM 1014 CB ALA A 62 -18.445 -10.440 0.337 1.00 0.00 C ATOM 0 H ALA A 62 -19.062 -8.514 1.736 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.122 -11.086 2.350 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -18.016 -11.338 -0.108 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -19.527 -10.553 0.411 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -18.212 -9.578 -0.289 1.00 0.00 H new ATOM 1020 N ALA A 63 -15.832 -8.979 1.281 1.00 0.00 N ATOM 1021 CA ALA A 63 -14.393 -8.769 1.175 1.00 0.00 C ATOM 1022 C ALA A 63 -13.700 -9.034 2.507 1.00 0.00 C ATOM 1023 O ALA A 63 -12.641 -9.661 2.552 1.00 0.00 O ATOM 1024 CB ALA A 63 -14.100 -7.354 0.697 1.00 0.00 C ATOM 0 H ALA A 63 -16.396 -8.162 1.046 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.000 -9.476 0.444 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -13.022 -7.211 0.622 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.555 -7.199 -0.281 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.513 -6.637 1.407 1.00 0.00 H new ATOM 1030 N ILE A 64 -14.302 -8.551 3.588 1.00 0.00 N ATOM 1031 CA ILE A 64 -13.742 -8.737 4.921 1.00 0.00 C ATOM 1032 C ILE A 64 -13.688 -10.214 5.294 1.00 0.00 C ATOM 1033 O ILE A 64 -12.628 -10.741 5.632 1.00 0.00 O ATOM 1034 CB ILE A 64 -14.559 -7.980 5.985 1.00 0.00 C ATOM 1035 CG1 ILE A 64 -14.632 -6.491 5.640 1.00 0.00 C ATOM 1036 CG2 ILE A 64 -13.946 -8.180 7.364 1.00 0.00 C ATOM 1037 CD1 ILE A 64 -15.533 -5.700 6.563 1.00 0.00 C ATOM 0 H ILE A 64 -15.177 -8.028 3.567 1.00 0.00 H new ATOM 0 HA ILE A 64 -12.730 -8.334 4.897 1.00 0.00 H new ATOM 0 HB ILE A 64 -15.573 -8.381 5.997 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -13.628 -6.068 5.676 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -14.988 -6.381 4.616 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -14.534 -7.639 8.105 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -13.941 -9.242 7.609 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -12.924 -7.802 7.366 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -15.536 -4.653 6.259 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -16.547 -6.097 6.510 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -15.166 -5.779 7.586 1.00 0.00 H new ATOM 1049 N ASP A 65 -14.837 -10.878 5.228 1.00 0.00 N ATOM 1050 CA ASP A 65 -14.920 -12.296 5.555 1.00 0.00 C ATOM 1051 C ASP A 65 -13.837 -13.087 4.827 1.00 0.00 C ATOM 1052 O ASP A 65 -13.374 -14.117 5.315 1.00 0.00 O ATOM 1053 CB ASP A 65 -16.301 -12.845 5.192 1.00 0.00 C ATOM 1054 CG ASP A 65 -17.306 -12.672 6.314 1.00 0.00 C ATOM 1055 OD1 ASP A 65 -17.662 -11.515 6.619 1.00 0.00 O ATOM 1056 OD2 ASP A 65 -17.736 -13.695 6.887 1.00 0.00 O ATOM 0 H ASP A 65 -15.724 -10.457 4.951 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.764 -12.405 6.628 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -16.667 -12.338 4.299 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -16.215 -13.903 4.945 1.00 0.00 H new ATOM 1061 N ASN A 66 -13.440 -12.598 3.657 1.00 0.00 N ATOM 1062 CA ASN A 66 -12.413 -13.259 2.861 1.00 0.00 C ATOM 1063 C ASN A 66 -11.035 -12.673 3.155 1.00 0.00 C ATOM 1064 O ASN A 66 -10.216 -13.296 3.830 1.00 0.00 O ATOM 1065 CB ASN A 66 -12.729 -13.126 1.370 1.00 0.00 C ATOM 1066 CG ASN A 66 -13.828 -14.072 0.925 1.00 0.00 C ATOM 1067 OD1 ASN A 66 -13.566 -15.077 0.264 1.00 0.00 O ATOM 1068 ND2 ASN A 66 -15.065 -13.753 1.286 1.00 0.00 N ATOM 0 H ASN A 66 -13.814 -11.746 3.239 1.00 0.00 H new ATOM 0 HA ASN A 66 -12.404 -14.315 3.131 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -13.027 -12.100 1.155 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -11.827 -13.324 0.791 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -15.846 -14.351 1.015 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -15.235 -12.910 1.834 1.00 0.00 H new ATOM 1075 N MET A 67 -10.788 -11.472 2.642 1.00 0.00 N ATOM 1076 CA MET A 67 -9.510 -10.801 2.851 1.00 0.00 C ATOM 1077 C MET A 67 -8.989 -11.051 4.263 1.00 0.00 C ATOM 1078 O MET A 67 -7.791 -11.242 4.468 1.00 0.00 O ATOM 1079 CB MET A 67 -9.653 -9.298 2.607 1.00 0.00 C ATOM 1080 CG MET A 67 -10.042 -8.949 1.179 1.00 0.00 C ATOM 1081 SD MET A 67 -9.049 -9.825 -0.045 1.00 0.00 S ATOM 1082 CE MET A 67 -7.418 -9.178 0.316 1.00 0.00 C ATOM 0 H MET A 67 -11.455 -10.944 2.079 1.00 0.00 H new ATOM 0 HA MET A 67 -8.793 -11.211 2.140 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.404 -8.897 3.288 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.710 -8.808 2.848 1.00 0.00 H new ATOM 0 HG2 MET A 67 -11.095 -9.187 1.025 1.00 0.00 H new ATOM 0 HG3 MET A 67 -9.932 -7.875 1.029 1.00 0.00 H new ATOM 0 HE1 MET A 67 -7.015 -8.691 -0.572 1.00 0.00 H new ATOM 0 HE2 MET A 67 -7.485 -8.454 1.128 1.00 0.00 H new ATOM 0 HE3 MET A 67 -6.760 -9.995 0.612 1.00 0.00 H new ATOM 1092 N ASN A 68 -9.898 -11.049 5.233 1.00 0.00 N ATOM 1093 CA ASN A 68 -9.529 -11.275 6.626 1.00 0.00 C ATOM 1094 C ASN A 68 -8.559 -12.446 6.749 1.00 0.00 C ATOM 1095 O ASN A 68 -8.904 -13.586 6.442 1.00 0.00 O ATOM 1096 CB ASN A 68 -10.778 -11.543 7.469 1.00 0.00 C ATOM 1097 CG ASN A 68 -10.461 -12.288 8.751 1.00 0.00 C ATOM 1098 OD1 ASN A 68 -10.245 -13.500 8.741 1.00 0.00 O ATOM 1099 ND2 ASN A 68 -10.432 -11.564 9.864 1.00 0.00 N ATOM 0 H ASN A 68 -10.894 -10.894 5.080 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.035 -10.376 6.995 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.259 -10.596 7.712 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.492 -12.122 6.883 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.224 -12.010 10.757 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -10.617 -10.562 9.825 1.00 0.00 H new ATOM 1106 N GLU A 69 -7.343 -12.154 7.201 1.00 0.00 N ATOM 1107 CA GLU A 69 -6.322 -13.183 7.365 1.00 0.00 C ATOM 1108 C GLU A 69 -5.984 -13.831 6.025 1.00 0.00 C ATOM 1109 O GLU A 69 -5.843 -15.051 5.932 1.00 0.00 O ATOM 1110 CB GLU A 69 -6.796 -14.250 8.355 1.00 0.00 C ATOM 1111 CG GLU A 69 -7.138 -13.696 9.728 1.00 0.00 C ATOM 1112 CD GLU A 69 -7.900 -14.689 10.584 1.00 0.00 C ATOM 1113 OE1 GLU A 69 -7.559 -15.890 10.544 1.00 0.00 O ATOM 1114 OE2 GLU A 69 -8.837 -14.266 11.292 1.00 0.00 O ATOM 0 H GLU A 69 -7.041 -11.215 7.460 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.423 -12.708 7.757 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.674 -14.750 7.945 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.019 -15.007 8.461 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.219 -13.411 10.240 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.733 -12.790 9.612 1.00 0.00 H new ATOM 1121 N SER A 70 -5.856 -13.007 4.991 1.00 0.00 N ATOM 1122 CA SER A 70 -5.539 -13.499 3.655 1.00 0.00 C ATOM 1123 C SER A 70 -4.041 -13.404 3.383 1.00 0.00 C ATOM 1124 O SER A 70 -3.293 -12.825 4.169 1.00 0.00 O ATOM 1125 CB SER A 70 -6.312 -12.706 2.600 1.00 0.00 C ATOM 1126 OG SER A 70 -7.666 -13.119 2.541 1.00 0.00 O ATOM 0 H SER A 70 -5.967 -11.995 5.052 1.00 0.00 H new ATOM 0 HA SER A 70 -5.835 -14.547 3.600 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.263 -11.642 2.832 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.845 -12.841 1.625 1.00 0.00 H new ATOM 0 HG SER A 70 -7.959 -13.146 1.606 1.00 0.00 H new ATOM 1132 N GLU A 71 -3.612 -13.978 2.263 1.00 0.00 N ATOM 1133 CA GLU A 71 -2.203 -13.960 1.888 1.00 0.00 C ATOM 1134 C GLU A 71 -1.959 -12.985 0.740 1.00 0.00 C ATOM 1135 O GLU A 71 -2.636 -13.036 -0.289 1.00 0.00 O ATOM 1136 CB GLU A 71 -1.741 -15.362 1.487 1.00 0.00 C ATOM 1137 CG GLU A 71 -0.250 -15.455 1.208 1.00 0.00 C ATOM 1138 CD GLU A 71 0.301 -16.848 1.441 1.00 0.00 C ATOM 1139 OE1 GLU A 71 -0.034 -17.452 2.482 1.00 0.00 O ATOM 1140 OE2 GLU A 71 1.068 -17.335 0.584 1.00 0.00 O ATOM 0 H GLU A 71 -4.219 -14.461 1.601 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.627 -13.629 2.752 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.997 -16.061 2.283 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.289 -15.676 0.598 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.058 -15.160 0.176 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.280 -14.747 1.845 1.00 0.00 H new ATOM 1147 N LEU A 72 -0.989 -12.095 0.923 1.00 0.00 N ATOM 1148 CA LEU A 72 -0.655 -11.107 -0.097 1.00 0.00 C ATOM 1149 C LEU A 72 0.826 -10.746 -0.041 1.00 0.00 C ATOM 1150 O LEU A 72 1.410 -10.641 1.038 1.00 0.00 O ATOM 1151 CB LEU A 72 -1.505 -9.849 0.087 1.00 0.00 C ATOM 1152 CG LEU A 72 -1.269 -8.726 -0.924 1.00 0.00 C ATOM 1153 CD1 LEU A 72 -1.801 -9.119 -2.293 1.00 0.00 C ATOM 1154 CD2 LEU A 72 -1.919 -7.434 -0.448 1.00 0.00 C ATOM 0 H LEU A 72 -0.420 -12.038 1.768 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.867 -11.543 -1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.556 -10.135 0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.323 -9.455 1.087 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.195 -8.560 -1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.624 -8.307 -2.999 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.290 -10.018 -2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.871 -9.314 -2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.741 -6.646 -1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.992 -7.587 -0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.490 -7.143 0.511 1.00 0.00 H new ATOM 1166 N PHE A 73 1.428 -10.557 -1.210 1.00 0.00 N ATOM 1167 CA PHE A 73 2.841 -10.206 -1.295 1.00 0.00 C ATOM 1168 C PHE A 73 3.679 -11.104 -0.389 1.00 0.00 C ATOM 1169 O PHE A 73 4.755 -10.716 0.063 1.00 0.00 O ATOM 1170 CB PHE A 73 3.048 -8.740 -0.912 1.00 0.00 C ATOM 1171 CG PHE A 73 2.938 -7.795 -2.074 1.00 0.00 C ATOM 1172 CD1 PHE A 73 1.956 -7.969 -3.035 1.00 0.00 C ATOM 1173 CD2 PHE A 73 3.818 -6.732 -2.206 1.00 0.00 C ATOM 1174 CE1 PHE A 73 1.851 -7.102 -4.106 1.00 0.00 C ATOM 1175 CE2 PHE A 73 3.718 -5.861 -3.274 1.00 0.00 C ATOM 1176 CZ PHE A 73 2.734 -6.046 -4.226 1.00 0.00 C ATOM 0 H PHE A 73 0.960 -10.641 -2.112 1.00 0.00 H new ATOM 0 HA PHE A 73 3.166 -10.354 -2.325 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.312 -8.463 -0.158 1.00 0.00 H new ATOM 0 HB3 PHE A 73 4.031 -8.628 -0.455 1.00 0.00 H new ATOM 0 HD1 PHE A 73 1.263 -8.793 -2.946 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.590 -6.583 -1.466 1.00 0.00 H new ATOM 0 HE1 PHE A 73 1.080 -7.250 -4.848 1.00 0.00 H new ATOM 0 HE2 PHE A 73 4.409 -5.036 -3.365 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.655 -5.367 -5.062 1.00 0.00 H new ATOM 1186 N GLY A 74 3.176 -12.307 -0.129 1.00 0.00 N ATOM 1187 CA GLY A 74 3.889 -13.241 0.722 1.00 0.00 C ATOM 1188 C GLY A 74 3.801 -12.873 2.190 1.00 0.00 C ATOM 1189 O GLY A 74 4.734 -13.115 2.955 1.00 0.00 O ATOM 0 H GLY A 74 2.287 -12.651 -0.493 1.00 0.00 H new ATOM 0 HA2 GLY A 74 3.483 -14.242 0.577 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.936 -13.275 0.421 1.00 0.00 H new ATOM 1193 N ARG A 75 2.677 -12.284 2.584 1.00 0.00 N ATOM 1194 CA ARG A 75 2.471 -11.878 3.969 1.00 0.00 C ATOM 1195 C ARG A 75 1.000 -11.994 4.357 1.00 0.00 C ATOM 1196 O ARG A 75 0.120 -12.033 3.496 1.00 0.00 O ATOM 1197 CB ARG A 75 2.954 -10.442 4.179 1.00 0.00 C ATOM 1198 CG ARG A 75 1.896 -9.393 3.873 1.00 0.00 C ATOM 1199 CD ARG A 75 2.525 -8.048 3.545 1.00 0.00 C ATOM 1200 NE ARG A 75 3.586 -8.168 2.548 1.00 0.00 N ATOM 1201 CZ ARG A 75 4.870 -8.307 2.856 1.00 0.00 C ATOM 1202 NH1 ARG A 75 5.251 -8.344 4.125 1.00 0.00 N ATOM 1203 NH2 ARG A 75 5.777 -8.411 1.892 1.00 0.00 N ATOM 0 H ARG A 75 1.894 -12.077 1.963 1.00 0.00 H new ATOM 0 HA ARG A 75 3.050 -12.546 4.607 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.282 -10.325 5.212 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.824 -10.264 3.547 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.285 -9.725 3.034 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.230 -9.286 4.729 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.756 -7.369 3.176 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.931 -7.606 4.455 1.00 0.00 H new ATOM 0 HE ARG A 75 3.326 -8.144 1.562 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.557 -8.266 4.868 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.238 -8.451 4.358 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.487 -8.384 0.914 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.763 -8.518 2.129 1.00 0.00 H new ATOM 1217 N THR A 76 0.739 -12.050 5.659 1.00 0.00 N ATOM 1218 CA THR A 76 -0.624 -12.163 6.162 1.00 0.00 C ATOM 1219 C THR A 76 -1.209 -10.791 6.479 1.00 0.00 C ATOM 1220 O THR A 76 -0.777 -10.126 7.421 1.00 0.00 O ATOM 1221 CB THR A 76 -0.686 -13.040 7.426 1.00 0.00 C ATOM 1222 OG1 THR A 76 -0.144 -14.337 7.150 1.00 0.00 O ATOM 1223 CG2 THR A 76 -2.118 -13.178 7.920 1.00 0.00 C ATOM 0 H THR A 76 1.455 -12.019 6.385 1.00 0.00 H new ATOM 0 HA THR A 76 -1.213 -12.633 5.374 1.00 0.00 H new ATOM 0 HB THR A 76 -0.095 -12.558 8.205 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.186 -14.888 7.959 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.136 -13.802 8.814 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.518 -12.192 8.158 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.728 -13.639 7.143 1.00 0.00 H new ATOM 1231 N ILE A 77 -2.193 -10.375 5.689 1.00 0.00 N ATOM 1232 CA ILE A 77 -2.837 -9.083 5.889 1.00 0.00 C ATOM 1233 C ILE A 77 -4.113 -9.227 6.711 1.00 0.00 C ATOM 1234 O ILE A 77 -4.763 -10.272 6.690 1.00 0.00 O ATOM 1235 CB ILE A 77 -3.178 -8.411 4.545 1.00 0.00 C ATOM 1236 CG1 ILE A 77 -4.060 -9.331 3.699 1.00 0.00 C ATOM 1237 CG2 ILE A 77 -1.904 -8.052 3.795 1.00 0.00 C ATOM 1238 CD1 ILE A 77 -4.795 -8.610 2.591 1.00 0.00 C ATOM 0 H ILE A 77 -2.561 -10.914 4.905 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.128 -8.456 6.430 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.730 -7.493 4.744 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.441 -10.115 3.263 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.786 -9.822 4.347 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.161 -7.578 2.848 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.310 -7.363 4.396 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.327 -8.957 3.603 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.401 -9.323 2.032 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.441 -7.844 3.021 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.074 -8.142 1.920 1.00 0.00 H new ATOM 1250 N ARG A 78 -4.468 -8.169 7.432 1.00 0.00 N ATOM 1251 CA ARG A 78 -5.667 -8.176 8.261 1.00 0.00 C ATOM 1252 C ARG A 78 -6.699 -7.184 7.733 1.00 0.00 C ATOM 1253 O ARG A 78 -6.359 -6.068 7.339 1.00 0.00 O ATOM 1254 CB ARG A 78 -5.314 -7.837 9.710 1.00 0.00 C ATOM 1255 CG ARG A 78 -4.509 -8.920 10.410 1.00 0.00 C ATOM 1256 CD ARG A 78 -4.612 -8.800 11.923 1.00 0.00 C ATOM 1257 NE ARG A 78 -3.411 -9.292 12.594 1.00 0.00 N ATOM 1258 CZ ARG A 78 -3.055 -10.572 12.618 1.00 0.00 C ATOM 1259 NH1 ARG A 78 -3.804 -11.483 12.012 1.00 0.00 N ATOM 1260 NH2 ARG A 78 -1.948 -10.942 13.249 1.00 0.00 N ATOM 0 H ARG A 78 -3.942 -7.295 7.459 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.097 -9.177 8.224 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.748 -6.906 9.729 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.234 -7.662 10.268 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.867 -9.901 10.096 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.464 -8.850 10.109 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.777 -7.757 12.194 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.478 -9.361 12.273 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.813 -8.616 13.070 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.656 -11.202 11.526 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.529 -12.465 12.032 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.370 -10.244 13.716 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.675 -11.925 13.267 1.00 0.00 H new ATOM 1274 N VAL A 79 -7.962 -7.599 7.726 1.00 0.00 N ATOM 1275 CA VAL A 79 -9.044 -6.748 7.247 1.00 0.00 C ATOM 1276 C VAL A 79 -10.150 -6.624 8.290 1.00 0.00 C ATOM 1277 O VAL A 79 -10.406 -7.556 9.051 1.00 0.00 O ATOM 1278 CB VAL A 79 -9.647 -7.290 5.938 1.00 0.00 C ATOM 1279 CG1 VAL A 79 -10.745 -6.367 5.432 1.00 0.00 C ATOM 1280 CG2 VAL A 79 -8.563 -7.468 4.886 1.00 0.00 C ATOM 0 H VAL A 79 -8.261 -8.520 8.047 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.613 -5.764 7.060 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.090 -8.265 6.140 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -11.159 -6.767 4.506 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.534 -6.295 6.181 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.330 -5.376 5.246 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -9.007 -7.852 3.967 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -8.089 -6.507 4.686 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.815 -8.173 5.250 1.00 0.00 H new ATOM 1290 N ASN A 80 -10.802 -5.467 8.318 1.00 0.00 N ATOM 1291 CA ASN A 80 -11.881 -5.221 9.268 1.00 0.00 C ATOM 1292 C ASN A 80 -12.571 -3.892 8.975 1.00 0.00 C ATOM 1293 O ASN A 80 -12.001 -3.012 8.329 1.00 0.00 O ATOM 1294 CB ASN A 80 -11.339 -5.222 10.699 1.00 0.00 C ATOM 1295 CG ASN A 80 -12.417 -5.511 11.726 1.00 0.00 C ATOM 1296 OD1 ASN A 80 -13.196 -6.452 11.575 1.00 0.00 O ATOM 1297 ND2 ASN A 80 -12.466 -4.701 12.777 1.00 0.00 N ATOM 0 H ASN A 80 -10.602 -4.685 7.694 1.00 0.00 H new ATOM 0 HA ASN A 80 -12.613 -6.022 9.163 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -10.550 -5.969 10.785 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.887 -4.254 10.914 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -13.170 -4.846 13.501 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -11.800 -3.933 12.861 1.00 0.00 H new ATOM 1304 N LEU A 81 -13.802 -3.753 9.456 1.00 0.00 N ATOM 1305 CA LEU A 81 -14.571 -2.531 9.246 1.00 0.00 C ATOM 1306 C LEU A 81 -13.800 -1.311 9.741 1.00 0.00 C ATOM 1307 O LEU A 81 -13.172 -1.348 10.799 1.00 0.00 O ATOM 1308 CB LEU A 81 -15.918 -2.623 9.966 1.00 0.00 C ATOM 1309 CG LEU A 81 -16.981 -3.491 9.291 1.00 0.00 C ATOM 1310 CD1 LEU A 81 -18.158 -3.718 10.227 1.00 0.00 C ATOM 1311 CD2 LEU A 81 -17.446 -2.851 7.991 1.00 0.00 C ATOM 0 H LEU A 81 -14.288 -4.471 9.993 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.744 -2.419 8.176 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -15.745 -3.010 10.970 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -16.318 -1.615 10.078 1.00 0.00 H new ATOM 0 HG LEU A 81 -16.537 -4.459 9.057 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -18.904 -4.338 9.730 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -17.813 -4.221 11.130 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -18.602 -2.759 10.493 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -18.202 -3.483 7.525 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -17.872 -1.870 8.200 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -16.598 -2.742 7.315 1.00 0.00 H new ATOM 1323 N ALA A 82 -13.855 -0.230 8.970 1.00 0.00 N ATOM 1324 CA ALA A 82 -13.166 1.002 9.331 1.00 0.00 C ATOM 1325 C ALA A 82 -13.433 1.374 10.786 1.00 0.00 C ATOM 1326 O ALA A 82 -14.556 1.244 11.275 1.00 0.00 O ATOM 1327 CB ALA A 82 -13.591 2.135 8.408 1.00 0.00 C ATOM 0 H ALA A 82 -14.370 -0.183 8.091 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.095 0.837 9.216 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.068 3.049 8.689 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.343 1.878 7.378 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.666 2.291 8.494 1.00 0.00 H new