USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 674 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 41 MET CE :methyl -154:sc= -0.142 (180deg=-0.917) USER MOD Set 1.2: A 116 CYS SG : rot 78:sc= 0.897 USER MOD Set 2.1: A 79 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 83 ASN : amide:sc= -0.0471 X(o=-0.047,f=-0.24) USER MOD Single : A 33 SER OG : rot 17:sc= 0.76 USER MOD Single : A 37 LYS NZ :NH3+ -164:sc= -3.8! (180deg=-4.06!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HE2:sc= -0.285 K(o=-0.29,f=-2.5!) USER MOD Single : A 48 LYS NZ :NH3+ -148:sc= 0.884 (180deg=0.0902) USER MOD Single : A 49 HIS :FLIP no HD1:sc= -0.395 F(o=-1.3,f=-0.39) USER MOD Single : A 57 SER OG : rot -38:sc= 0.123 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot -48:sc= -7.9! USER MOD Single : A 84 GLN : amide:sc=0.000956 X(o=0.00096,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -154:sc= -0.164 (180deg=-0.964) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN :FLIP amide:sc= -0.486 F(o=-1.9!,f=-0.49) USER MOD Single : A 98 HIS : no HE2:sc= 0.396! C(o=0.4!,f=-9.4!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= -4.72! USER MOD Single : A 114 GLN : amide:sc= -0.272 X(o=-0.27,f=-0.37) USER MOD Single : A 120 LYS NZ :NH3+ -170:sc= 0.909 (180deg=0.462) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 128 GLN : amide:sc= -0.041 K(o=-0.041,f=-2.6!) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 133 N SER A 33 0.247 -12.907 8.832 1.00 0.00 N ATOM 134 CA SER A 33 -0.324 -12.498 10.103 1.00 0.00 C ATOM 135 C SER A 33 -1.611 -13.258 10.384 1.00 0.00 C ATOM 136 O SER A 33 -1.698 -14.010 11.358 1.00 0.00 O ATOM 137 CB SER A 33 -0.609 -10.990 10.092 1.00 0.00 C ATOM 138 OG SER A 33 0.302 -10.350 9.207 1.00 0.00 O ATOM 0 HA SER A 33 0.396 -12.725 10.889 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.635 -10.804 9.775 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.507 -10.581 11.097 1.00 0.00 H new ATOM 0 HG SER A 33 0.714 -11.019 8.622 1.00 0.00 H new ATOM 144 N LEU A 34 -2.617 -13.040 9.546 1.00 0.00 N ATOM 145 CA LEU A 34 -3.909 -13.689 9.736 1.00 0.00 C ATOM 146 C LEU A 34 -3.723 -15.119 10.222 1.00 0.00 C ATOM 147 O LEU A 34 -4.456 -15.587 11.096 1.00 0.00 O ATOM 148 CB LEU A 34 -4.688 -13.691 8.418 1.00 0.00 C ATOM 149 CG LEU A 34 -6.033 -14.395 8.617 1.00 0.00 C ATOM 150 CD1 LEU A 34 -6.824 -13.689 9.721 1.00 0.00 C ATOM 151 CD2 LEU A 34 -6.829 -14.349 7.312 1.00 0.00 C ATOM 0 H LEU A 34 -2.565 -12.424 8.735 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.468 -13.133 10.489 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.848 -12.668 8.077 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.112 -14.198 7.644 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.860 -15.432 8.903 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.781 -14.192 9.861 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.258 -13.721 10.652 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.997 -12.651 9.437 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.787 -14.850 7.452 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.001 -13.311 7.027 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.268 -14.853 6.525 1.00 0.00 H new ATOM 163 N GLU A 35 -2.743 -15.809 9.653 1.00 0.00 N ATOM 164 CA GLU A 35 -2.475 -17.189 10.037 1.00 0.00 C ATOM 165 C GLU A 35 -1.982 -17.256 11.480 1.00 0.00 C ATOM 166 O GLU A 35 -2.418 -18.105 12.256 1.00 0.00 O ATOM 167 CB GLU A 35 -1.416 -17.790 9.111 1.00 0.00 C ATOM 168 CG GLU A 35 -1.543 -19.313 9.110 1.00 0.00 C ATOM 169 CD GLU A 35 -0.432 -19.930 8.268 1.00 0.00 C ATOM 170 OE1 GLU A 35 0.479 -19.205 7.902 1.00 0.00 O ATOM 171 OE2 GLU A 35 -0.505 -21.118 8.003 1.00 0.00 O ATOM 0 H GLU A 35 -2.125 -15.440 8.930 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.401 -17.757 9.952 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.541 -17.404 8.099 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.420 -17.498 9.443 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.489 -19.691 10.131 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.515 -19.604 8.713 1.00 0.00 H new ATOM 178 N GLU A 36 -1.074 -16.351 11.836 1.00 0.00 N ATOM 179 CA GLU A 36 -0.531 -16.317 13.190 1.00 0.00 C ATOM 180 C GLU A 36 -1.622 -15.971 14.196 1.00 0.00 C ATOM 181 O GLU A 36 -1.701 -16.568 15.271 1.00 0.00 O ATOM 182 CB GLU A 36 0.590 -15.281 13.277 1.00 0.00 C ATOM 183 CG GLU A 36 1.782 -15.746 12.440 1.00 0.00 C ATOM 184 CD GLU A 36 2.871 -14.678 12.443 1.00 0.00 C ATOM 185 OE1 GLU A 36 2.675 -13.663 13.093 1.00 0.00 O ATOM 186 OE2 GLU A 36 3.883 -14.888 11.796 1.00 0.00 O ATOM 0 H GLU A 36 -0.701 -15.637 11.211 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.134 -17.304 13.426 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.235 -14.315 12.918 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.893 -15.144 14.315 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.176 -16.680 12.841 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.462 -15.948 11.418 1.00 0.00 H new ATOM 193 N LYS A 37 -2.469 -15.011 13.839 1.00 0.00 N ATOM 194 CA LYS A 37 -3.552 -14.600 14.726 1.00 0.00 C ATOM 195 C LYS A 37 -4.429 -15.791 15.095 1.00 0.00 C ATOM 196 O LYS A 37 -4.739 -15.999 16.267 1.00 0.00 O ATOM 197 CB LYS A 37 -4.411 -13.533 14.033 1.00 0.00 C ATOM 198 CG LYS A 37 -3.848 -12.142 14.335 1.00 0.00 C ATOM 199 CD LYS A 37 -4.279 -11.166 13.238 1.00 0.00 C ATOM 200 CE LYS A 37 -3.314 -11.273 12.064 1.00 0.00 C ATOM 201 NZ LYS A 37 -3.996 -10.833 10.812 1.00 0.00 N ATOM 0 H LYS A 37 -2.428 -14.508 12.953 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.115 -14.190 15.636 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.424 -13.705 12.957 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.442 -13.602 14.379 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.206 -11.796 15.305 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.760 -12.183 14.393 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.294 -11.392 12.912 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.288 -10.147 13.625 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.434 -10.656 12.246 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.967 -12.301 11.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.449 -11.154 9.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.951 -11.243 10.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.064 -9.795 10.800 1.00 0.00 H new ATOM 215 N ILE A 38 -4.813 -16.571 14.094 1.00 0.00 N ATOM 216 CA ILE A 38 -5.649 -17.742 14.331 1.00 0.00 C ATOM 217 C ILE A 38 -4.909 -18.764 15.191 1.00 0.00 C ATOM 218 O ILE A 38 -5.478 -19.334 16.120 1.00 0.00 O ATOM 219 CB ILE A 38 -6.040 -18.382 12.999 1.00 0.00 C ATOM 220 CG1 ILE A 38 -6.983 -17.446 12.241 1.00 0.00 C ATOM 221 CG2 ILE A 38 -6.746 -19.714 13.260 1.00 0.00 C ATOM 222 CD1 ILE A 38 -7.160 -17.948 10.808 1.00 0.00 C ATOM 0 H ILE A 38 -4.562 -16.417 13.117 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.548 -17.423 14.858 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.144 -18.556 12.403 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.949 -17.401 12.744 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.580 -16.433 12.235 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.025 -20.170 12.310 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.075 -20.382 13.800 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.642 -19.540 13.856 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.832 -17.280 10.269 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.192 -17.970 10.308 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.583 -18.953 10.824 1.00 0.00 H new ATOM 234 N LYS A 39 -3.639 -18.987 14.876 1.00 0.00 N ATOM 235 CA LYS A 39 -2.831 -19.942 15.625 1.00 0.00 C ATOM 236 C LYS A 39 -2.724 -19.516 17.085 1.00 0.00 C ATOM 237 O LYS A 39 -2.771 -20.351 17.989 1.00 0.00 O ATOM 238 CB LYS A 39 -1.432 -20.031 15.013 1.00 0.00 C ATOM 239 CG LYS A 39 -1.523 -20.683 13.631 1.00 0.00 C ATOM 240 CD LYS A 39 -0.200 -20.485 12.881 1.00 0.00 C ATOM 241 CE LYS A 39 0.814 -21.534 13.325 1.00 0.00 C ATOM 242 NZ LYS A 39 1.910 -21.623 12.325 1.00 0.00 N ATOM 0 H LYS A 39 -3.148 -18.523 14.112 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.311 -20.919 15.576 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.995 -19.036 14.930 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.776 -20.614 15.660 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.739 -21.746 13.733 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.344 -20.244 13.064 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.367 -20.561 11.807 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.190 -19.486 13.073 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.220 -21.271 14.302 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.327 -22.503 13.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.600 -22.339 12.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.516 -21.893 11.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.382 -20.700 12.244 1.00 0.00 H new ATOM 256 N LEU A 40 -2.572 -18.213 17.308 1.00 0.00 N ATOM 257 CA LEU A 40 -2.462 -17.693 18.666 1.00 0.00 C ATOM 258 C LEU A 40 -3.777 -17.864 19.423 1.00 0.00 C ATOM 259 O LEU A 40 -3.796 -18.351 20.552 1.00 0.00 O ATOM 260 CB LEU A 40 -2.087 -16.209 18.625 1.00 0.00 C ATOM 261 CG LEU A 40 -1.998 -15.663 20.052 1.00 0.00 C ATOM 262 CD1 LEU A 40 -0.972 -16.474 20.847 1.00 0.00 C ATOM 263 CD2 LEU A 40 -1.564 -14.197 20.009 1.00 0.00 C ATOM 0 H LEU A 40 -2.523 -17.506 16.575 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.685 -18.255 19.185 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.133 -16.079 18.115 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.831 -15.651 18.057 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.973 -15.741 20.532 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.909 -16.085 21.863 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.279 -17.519 20.877 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.004 -16.396 20.368 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.500 -13.807 21.025 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.589 -14.120 19.529 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.294 -13.618 19.443 1.00 0.00 H new ATOM 275 N MET A 41 -4.874 -17.464 18.788 1.00 0.00 N ATOM 276 CA MET A 41 -6.190 -17.573 19.406 1.00 0.00 C ATOM 277 C MET A 41 -6.577 -19.039 19.572 1.00 0.00 C ATOM 278 O MET A 41 -7.305 -19.398 20.495 1.00 0.00 O ATOM 279 CB MET A 41 -7.232 -16.854 18.550 1.00 0.00 C ATOM 280 CG MET A 41 -6.938 -15.353 18.536 1.00 0.00 C ATOM 281 SD MET A 41 -7.092 -14.687 20.214 1.00 0.00 S ATOM 282 CE MET A 41 -8.895 -14.805 20.339 1.00 0.00 C ATOM 0 H MET A 41 -4.878 -17.063 17.850 1.00 0.00 H new ATOM 0 HA MET A 41 -6.153 -17.105 20.390 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.216 -17.247 17.534 1.00 0.00 H new ATOM 0 HB3 MET A 41 -8.231 -17.035 18.947 1.00 0.00 H new ATOM 0 HG2 MET A 41 -5.933 -15.173 18.153 1.00 0.00 H new ATOM 0 HG3 MET A 41 -7.631 -14.843 17.867 1.00 0.00 H new ATOM 0 HE1 MET A 41 -9.260 -14.063 21.049 1.00 0.00 H new ATOM 0 HE2 MET A 41 -9.340 -14.621 19.361 1.00 0.00 H new ATOM 0 HE3 MET A 41 -9.171 -15.802 20.682 1.00 0.00 H new ATOM 292 N ARG A 42 -6.092 -19.878 18.663 1.00 0.00 N ATOM 293 CA ARG A 42 -6.396 -21.303 18.713 1.00 0.00 C ATOM 294 C ARG A 42 -5.804 -21.933 19.968 1.00 0.00 C ATOM 295 O ARG A 42 -6.203 -23.025 20.375 1.00 0.00 O ATOM 296 CB ARG A 42 -5.835 -22.002 17.473 1.00 0.00 C ATOM 297 CG ARG A 42 -6.771 -21.771 16.286 1.00 0.00 C ATOM 298 CD ARG A 42 -7.862 -22.845 16.275 1.00 0.00 C ATOM 299 NE ARG A 42 -7.266 -24.165 16.113 1.00 0.00 N ATOM 300 CZ ARG A 42 -6.951 -24.633 14.909 1.00 0.00 C ATOM 301 NH1 ARG A 42 -6.419 -25.818 14.789 1.00 0.00 N ATOM 302 NH2 ARG A 42 -7.177 -23.907 13.848 1.00 0.00 N ATOM 0 H ARG A 42 -5.491 -19.598 17.888 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.479 -21.423 18.737 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -4.841 -21.618 17.245 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.728 -23.070 17.662 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.222 -20.781 16.353 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.207 -21.802 15.354 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.430 -22.806 17.204 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -8.564 -22.653 15.464 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.088 -24.739 16.937 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.245 -26.385 15.619 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.177 -26.177 13.866 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.595 -22.981 13.943 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.936 -24.265 12.924 1.00 0.00 H new ATOM 316 N LEU A 43 -4.848 -21.239 20.576 1.00 0.00 N ATOM 317 CA LEU A 43 -4.211 -21.734 21.789 1.00 0.00 C ATOM 318 C LEU A 43 -4.879 -21.157 23.029 1.00 0.00 C ATOM 319 O LEU A 43 -5.023 -21.839 24.045 1.00 0.00 O ATOM 320 CB LEU A 43 -2.723 -21.371 21.784 1.00 0.00 C ATOM 321 CG LEU A 43 -1.946 -22.387 20.945 1.00 0.00 C ATOM 322 CD1 LEU A 43 -0.479 -21.965 20.864 1.00 0.00 C ATOM 323 CD2 LEU A 43 -2.042 -23.775 21.598 1.00 0.00 C ATOM 0 H LEU A 43 -4.499 -20.337 20.251 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.319 -22.818 21.813 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.585 -20.369 21.378 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.339 -21.358 22.804 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.370 -22.428 19.942 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.075 -22.689 20.266 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.408 -20.981 20.400 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.056 -21.924 21.868 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.488 -24.498 20.999 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.619 -23.735 22.602 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.087 -24.078 21.657 1.00 0.00 H new ATOM 335 N VAL A 44 -5.276 -19.892 22.943 1.00 0.00 N ATOM 336 CA VAL A 44 -5.919 -19.229 24.069 1.00 0.00 C ATOM 337 C VAL A 44 -7.241 -19.915 24.404 1.00 0.00 C ATOM 338 O VAL A 44 -7.536 -20.178 25.569 1.00 0.00 O ATOM 339 CB VAL A 44 -6.174 -17.758 23.730 1.00 0.00 C ATOM 340 CG1 VAL A 44 -6.802 -17.051 24.938 1.00 0.00 C ATOM 341 CG2 VAL A 44 -4.848 -17.079 23.376 1.00 0.00 C ATOM 0 H VAL A 44 -5.165 -19.310 22.113 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.259 -19.292 24.934 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.855 -17.696 22.881 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.982 -16.004 24.694 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.747 -17.533 25.191 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.124 -17.113 25.789 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.029 -16.032 23.134 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.168 -17.143 24.225 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.402 -17.578 22.516 1.00 0.00 H new ATOM 351 N VAL A 45 -8.034 -20.195 23.377 1.00 0.00 N ATOM 352 CA VAL A 45 -9.323 -20.846 23.572 1.00 0.00 C ATOM 353 C VAL A 45 -9.127 -22.255 24.122 1.00 0.00 C ATOM 354 O VAL A 45 -9.868 -22.699 24.998 1.00 0.00 O ATOM 355 CB VAL A 45 -10.087 -20.904 22.251 1.00 0.00 C ATOM 356 CG1 VAL A 45 -11.303 -21.819 22.403 1.00 0.00 C ATOM 357 CG2 VAL A 45 -10.558 -19.495 21.873 1.00 0.00 C ATOM 0 H VAL A 45 -7.809 -19.983 22.405 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.901 -20.266 24.291 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.433 -21.294 21.471 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.848 -21.860 21.460 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.972 -22.821 22.675 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.957 -21.429 23.183 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.104 -19.534 20.930 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.212 -19.108 22.655 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.694 -18.839 21.765 1.00 0.00 H new ATOM 367 N ARG A 46 -8.135 -22.958 23.587 1.00 0.00 N ATOM 368 CA ARG A 46 -7.855 -24.321 24.022 1.00 0.00 C ATOM 369 C ARG A 46 -7.375 -24.329 25.468 1.00 0.00 C ATOM 370 O ARG A 46 -7.328 -25.375 26.115 1.00 0.00 O ATOM 371 CB ARG A 46 -6.792 -24.951 23.120 1.00 0.00 C ATOM 372 CG ARG A 46 -6.586 -26.414 23.515 1.00 0.00 C ATOM 373 CD ARG A 46 -5.611 -27.075 22.543 1.00 0.00 C ATOM 374 NE ARG A 46 -5.522 -28.506 22.811 1.00 0.00 N ATOM 375 CZ ARG A 46 -4.649 -28.988 23.690 1.00 0.00 C ATOM 376 NH1 ARG A 46 -4.589 -30.273 23.912 1.00 0.00 N ATOM 377 NH2 ARG A 46 -3.852 -28.177 24.331 1.00 0.00 N ATOM 0 H ARG A 46 -7.515 -22.609 22.856 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.774 -24.903 23.953 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.101 -24.885 22.077 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.854 -24.404 23.210 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.199 -26.475 24.532 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.540 -26.942 23.504 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.941 -26.910 21.517 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.626 -26.618 22.638 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.140 -29.148 22.315 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.212 -30.907 23.411 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.919 -30.643 24.586 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.899 -27.173 24.158 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.182 -28.547 25.005 1.00 0.00 H new ATOM 391 N HIS A 47 -7.014 -23.155 25.974 1.00 0.00 N ATOM 392 CA HIS A 47 -6.536 -23.038 27.349 1.00 0.00 C ATOM 393 C HIS A 47 -7.291 -21.940 28.089 1.00 0.00 C ATOM 394 O HIS A 47 -6.753 -21.309 28.998 1.00 0.00 O ATOM 395 CB HIS A 47 -5.039 -22.727 27.354 1.00 0.00 C ATOM 396 CG HIS A 47 -4.286 -23.873 26.736 1.00 0.00 C ATOM 397 ND1 HIS A 47 -3.626 -23.754 25.523 1.00 0.00 N ATOM 398 CD2 HIS A 47 -4.078 -25.165 27.150 1.00 0.00 C ATOM 399 CE1 HIS A 47 -3.058 -24.943 25.250 1.00 0.00 C ATOM 400 NE2 HIS A 47 -3.303 -25.839 26.210 1.00 0.00 N ATOM 0 H HIS A 47 -7.042 -22.276 25.458 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.712 -23.986 27.858 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -4.846 -21.809 26.798 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -4.695 -22.560 28.375 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -3.579 -22.917 24.942 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -4.458 -25.594 28.066 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.476 -25.148 24.364 1.00 0.00 H new ATOM 407 N LYS A 48 -8.539 -21.714 27.694 1.00 0.00 N ATOM 408 CA LYS A 48 -9.358 -20.690 28.329 1.00 0.00 C ATOM 409 C LYS A 48 -9.752 -21.114 29.739 1.00 0.00 C ATOM 410 O LYS A 48 -9.957 -20.274 30.617 1.00 0.00 O ATOM 411 CB LYS A 48 -10.617 -20.438 27.497 1.00 0.00 C ATOM 412 CG LYS A 48 -11.463 -21.711 27.453 1.00 0.00 C ATOM 413 CD LYS A 48 -12.686 -21.481 26.562 1.00 0.00 C ATOM 414 CE LYS A 48 -13.529 -22.757 26.513 1.00 0.00 C ATOM 415 NZ LYS A 48 -14.717 -22.534 25.642 1.00 0.00 N ATOM 0 H LYS A 48 -9.003 -22.223 26.942 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.774 -19.772 28.390 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.194 -19.620 27.929 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.343 -20.136 26.486 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.870 -22.541 27.068 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.779 -21.985 28.459 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.281 -20.654 26.949 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.370 -21.203 25.557 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.933 -23.585 26.129 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.848 -23.034 27.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -15.517 -23.098 25.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.972 -21.526 25.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.493 -22.822 24.668 1.00 0.00 H new ATOM 429 N HIS A 49 -9.861 -22.422 29.948 1.00 0.00 N ATOM 430 CA HIS A 49 -10.232 -22.947 31.257 1.00 0.00 C ATOM 431 C HIS A 49 -9.129 -22.684 32.276 1.00 0.00 C ATOM 432 O HIS A 49 -9.399 -22.297 33.414 1.00 0.00 O ATOM 433 CB HIS A 49 -10.493 -24.451 31.161 1.00 0.00 C ATOM 434 CG HIS A 49 -11.789 -24.692 30.437 1.00 0.00 C ATOM 435 ND1 HIS A 49 -13.091 -24.723 30.872 1.00 0.00 N flip ATOM 436 CD2 HIS A 49 -11.839 -24.943 29.075 1.00 0.00 C flip ATOM 437 CE1 HIS A 49 -13.936 -24.988 29.798 1.00 0.00 C flip ATOM 438 NE2 HIS A 49 -13.131 -25.111 28.740 1.00 0.00 N flip ATOM 0 H HIS A 49 -9.699 -23.133 29.234 1.00 0.00 H new ATOM 0 HA HIS A 49 -11.139 -22.440 31.585 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -9.674 -24.940 30.634 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -10.535 -24.888 32.159 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -10.994 -24.994 28.404 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -15.012 -25.075 29.817 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -13.456 -25.308 27.793 1.00 0.00 H new ATOM 445 N GLU A 50 -7.885 -22.901 31.862 1.00 0.00 N ATOM 446 CA GLU A 50 -6.748 -22.689 32.748 1.00 0.00 C ATOM 447 C GLU A 50 -6.959 -21.450 33.606 1.00 0.00 C ATOM 448 O GLU A 50 -6.676 -20.331 33.180 1.00 0.00 O ATOM 449 CB GLU A 50 -5.465 -22.535 31.931 1.00 0.00 C ATOM 450 CG GLU A 50 -5.100 -23.876 31.293 1.00 0.00 C ATOM 451 CD GLU A 50 -3.833 -23.727 30.456 1.00 0.00 C ATOM 452 OE1 GLU A 50 -3.319 -22.623 30.387 1.00 0.00 O ATOM 453 OE2 GLU A 50 -3.396 -24.720 29.897 1.00 0.00 O ATOM 0 H GLU A 50 -7.640 -23.221 30.925 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.658 -23.557 33.401 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.602 -21.778 31.158 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.653 -22.192 32.572 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.948 -24.627 32.068 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.921 -24.226 30.667 1.00 0.00 H new ATOM 567 N SER A 57 -0.861 -13.246 35.269 1.00 0.00 N ATOM 568 CA SER A 57 0.122 -13.377 34.199 1.00 0.00 C ATOM 569 C SER A 57 0.417 -14.848 33.916 1.00 0.00 C ATOM 570 O SER A 57 0.706 -15.225 32.781 1.00 0.00 O ATOM 571 CB SER A 57 1.418 -12.669 34.591 1.00 0.00 C ATOM 572 OG SER A 57 1.924 -13.244 35.789 1.00 0.00 O ATOM 0 HA SER A 57 -0.289 -12.918 33.300 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.153 -12.762 33.791 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.235 -11.604 34.734 1.00 0.00 H new ATOM 0 HG SER A 57 1.179 -13.464 36.387 1.00 0.00 H new ATOM 578 N GLU A 58 0.350 -15.671 34.958 1.00 0.00 N ATOM 579 CA GLU A 58 0.618 -17.097 34.812 1.00 0.00 C ATOM 580 C GLU A 58 -0.068 -17.658 33.572 1.00 0.00 C ATOM 581 O GLU A 58 0.379 -18.653 33.001 1.00 0.00 O ATOM 582 CB GLU A 58 0.136 -17.851 36.053 1.00 0.00 C ATOM 583 CG GLU A 58 0.472 -19.335 35.914 1.00 0.00 C ATOM 584 CD GLU A 58 0.337 -20.026 37.263 1.00 0.00 C ATOM 585 OE1 GLU A 58 -0.057 -19.364 38.209 1.00 0.00 O ATOM 586 OE2 GLU A 58 0.630 -21.209 37.332 1.00 0.00 O ATOM 0 H GLU A 58 0.114 -15.378 35.906 1.00 0.00 H new ATOM 0 HA GLU A 58 1.694 -17.230 34.701 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.610 -17.443 36.946 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.939 -17.721 36.175 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.195 -19.801 35.189 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.487 -19.453 35.535 1.00 0.00 H new ATOM 593 N PHE A 59 -1.154 -17.015 33.161 1.00 0.00 N ATOM 594 CA PHE A 59 -1.894 -17.458 31.986 1.00 0.00 C ATOM 595 C PHE A 59 -1.195 -17.001 30.708 1.00 0.00 C ATOM 596 O PHE A 59 -0.684 -17.818 29.943 1.00 0.00 O ATOM 597 CB PHE A 59 -3.316 -16.898 32.023 1.00 0.00 C ATOM 598 CG PHE A 59 -4.014 -17.209 30.721 1.00 0.00 C ATOM 599 CD1 PHE A 59 -4.208 -18.540 30.334 1.00 0.00 C ATOM 600 CD2 PHE A 59 -4.467 -16.169 29.902 1.00 0.00 C ATOM 601 CE1 PHE A 59 -4.856 -18.831 29.127 1.00 0.00 C ATOM 602 CE2 PHE A 59 -5.114 -16.459 28.695 1.00 0.00 C ATOM 603 CZ PHE A 59 -5.310 -17.790 28.308 1.00 0.00 C ATOM 0 H PHE A 59 -1.540 -16.190 33.620 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.934 -18.547 31.994 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.868 -17.333 32.856 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.290 -15.820 32.185 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.858 -19.343 30.966 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.317 -15.142 30.201 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.005 -19.858 28.828 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.462 -15.656 28.062 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.811 -18.014 27.378 1.00 0.00 H new ATOM 613 N TYR A 60 -1.179 -15.692 30.485 1.00 0.00 N ATOM 614 CA TYR A 60 -0.550 -15.137 29.295 1.00 0.00 C ATOM 615 C TYR A 60 0.913 -15.568 29.218 1.00 0.00 C ATOM 616 O TYR A 60 1.476 -15.700 28.131 1.00 0.00 O ATOM 617 CB TYR A 60 -0.633 -13.612 29.331 1.00 0.00 C ATOM 618 CG TYR A 60 -2.062 -13.184 29.536 1.00 0.00 C ATOM 619 CD1 TYR A 60 -2.511 -12.848 30.820 1.00 0.00 C ATOM 620 CD2 TYR A 60 -2.943 -13.125 28.450 1.00 0.00 C ATOM 621 CE1 TYR A 60 -3.839 -12.455 31.017 1.00 0.00 C ATOM 622 CE2 TYR A 60 -4.272 -12.730 28.646 1.00 0.00 C ATOM 623 CZ TYR A 60 -4.720 -12.396 29.929 1.00 0.00 C ATOM 624 OH TYR A 60 -6.028 -12.005 30.123 1.00 0.00 O ATOM 0 H TYR A 60 -1.592 -14.999 31.109 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.075 -15.510 28.415 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -0.008 -13.223 30.135 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.249 -13.196 28.400 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.831 -12.892 31.658 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.598 -13.384 27.460 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.185 -12.197 32.007 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.951 -12.683 27.807 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.504 -12.017 29.266 1.00 0.00 H new ATOM 634 N ALA A 61 1.522 -15.786 30.378 1.00 0.00 N ATOM 635 CA ALA A 61 2.918 -16.206 30.431 1.00 0.00 C ATOM 636 C ALA A 61 3.075 -17.624 29.887 1.00 0.00 C ATOM 637 O ALA A 61 4.168 -18.030 29.492 1.00 0.00 O ATOM 638 CB ALA A 61 3.428 -16.150 31.872 1.00 0.00 C ATOM 0 H ALA A 61 1.075 -15.680 31.289 1.00 0.00 H new ATOM 0 HA ALA A 61 3.504 -15.526 29.813 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.471 -16.465 31.901 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.347 -15.130 32.247 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.830 -16.815 32.496 1.00 0.00 H new ATOM 644 N LYS A 62 1.977 -18.373 29.877 1.00 0.00 N ATOM 645 CA LYS A 62 2.004 -19.743 29.381 1.00 0.00 C ATOM 646 C LYS A 62 1.665 -19.782 27.896 1.00 0.00 C ATOM 647 O LYS A 62 2.203 -20.598 27.146 1.00 0.00 O ATOM 648 CB LYS A 62 1.006 -20.599 30.161 1.00 0.00 C ATOM 649 CG LYS A 62 1.097 -22.052 29.687 1.00 0.00 C ATOM 650 CD LYS A 62 0.071 -22.903 30.437 1.00 0.00 C ATOM 651 CE LYS A 62 0.588 -23.213 31.843 1.00 0.00 C ATOM 652 NZ LYS A 62 -0.287 -24.236 32.480 1.00 0.00 N ATOM 0 H LYS A 62 1.064 -18.057 30.204 1.00 0.00 H new ATOM 0 HA LYS A 62 3.009 -20.142 29.520 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.217 -20.540 31.229 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.006 -20.221 30.015 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.915 -22.107 28.614 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.101 -22.439 29.860 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.880 -22.374 30.497 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.113 -23.830 29.894 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.614 -23.577 31.792 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.602 -22.305 32.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.064 -24.447 33.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.259 -23.872 32.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.278 -25.105 31.909 1.00 0.00 H new ATOM 666 N ILE A 63 0.760 -18.901 27.477 1.00 0.00 N ATOM 667 CA ILE A 63 0.352 -18.856 26.077 1.00 0.00 C ATOM 668 C ILE A 63 1.531 -18.496 25.184 1.00 0.00 C ATOM 669 O ILE A 63 1.774 -19.149 24.169 1.00 0.00 O ATOM 670 CB ILE A 63 -0.756 -17.811 25.896 1.00 0.00 C ATOM 671 CG1 ILE A 63 -1.994 -18.239 26.692 1.00 0.00 C ATOM 672 CG2 ILE A 63 -1.118 -17.700 24.414 1.00 0.00 C ATOM 673 CD1 ILE A 63 -2.466 -19.618 26.220 1.00 0.00 C ATOM 0 H ILE A 63 0.301 -18.217 28.079 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.017 -19.842 25.794 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.405 -16.844 26.257 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.760 -18.270 27.756 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.792 -17.508 26.562 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.905 -16.957 24.286 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.238 -17.397 23.846 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.469 -18.666 24.052 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.346 -19.916 26.790 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.718 -19.573 25.160 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.670 -20.347 26.373 1.00 0.00 H new ATOM 685 N ALA A 64 2.271 -17.464 25.574 1.00 0.00 N ATOM 686 CA ALA A 64 3.430 -17.035 24.799 1.00 0.00 C ATOM 687 C ALA A 64 4.524 -18.097 24.842 1.00 0.00 C ATOM 688 O ALA A 64 5.454 -18.072 24.041 1.00 0.00 O ATOM 689 CB ALA A 64 3.969 -15.714 25.354 1.00 0.00 C ATOM 0 H ALA A 64 2.092 -16.913 26.414 1.00 0.00 H new ATOM 0 HA ALA A 64 3.121 -16.892 23.763 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.834 -15.400 24.770 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.194 -14.950 25.293 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.263 -15.850 26.395 1.00 0.00 H new ATOM 695 N ARG A 65 4.412 -19.016 25.790 1.00 0.00 N ATOM 696 CA ARG A 65 5.400 -20.078 25.929 1.00 0.00 C ATOM 697 C ARG A 65 5.108 -21.214 24.955 1.00 0.00 C ATOM 698 O ARG A 65 6.008 -21.718 24.284 1.00 0.00 O ATOM 699 CB ARG A 65 5.395 -20.611 27.362 1.00 0.00 C ATOM 700 CG ARG A 65 6.496 -21.663 27.519 1.00 0.00 C ATOM 701 CD ARG A 65 6.476 -22.214 28.945 1.00 0.00 C ATOM 702 NE ARG A 65 6.872 -21.178 29.892 1.00 0.00 N ATOM 703 CZ ARG A 65 6.909 -21.418 31.200 1.00 0.00 C ATOM 704 NH1 ARG A 65 7.268 -20.475 32.027 1.00 0.00 N ATOM 705 NH2 ARG A 65 6.587 -22.599 31.655 1.00 0.00 N ATOM 0 H ARG A 65 3.653 -19.049 26.470 1.00 0.00 H new ATOM 0 HA ARG A 65 6.383 -19.667 25.700 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.555 -19.794 28.066 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.424 -21.048 27.596 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.346 -22.471 26.803 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.469 -21.222 27.302 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.477 -22.577 29.188 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.152 -23.066 29.023 1.00 0.00 H new ATOM 0 HE ARG A 65 7.125 -20.253 29.545 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.520 -19.553 31.671 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.296 -20.660 33.030 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.308 -23.336 31.008 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.615 -22.784 32.658 1.00 0.00 H new ATOM 719 N ILE A 66 3.844 -21.618 24.889 1.00 0.00 N ATOM 720 CA ILE A 66 3.438 -22.696 23.996 1.00 0.00 C ATOM 721 C ILE A 66 3.216 -22.166 22.583 1.00 0.00 C ATOM 722 O ILE A 66 3.213 -22.926 21.622 1.00 0.00 O ATOM 723 CB ILE A 66 2.157 -23.351 24.512 1.00 0.00 C ATOM 724 CG1 ILE A 66 2.440 -24.042 25.847 1.00 0.00 C ATOM 725 CG2 ILE A 66 1.667 -24.384 23.496 1.00 0.00 C ATOM 726 CD1 ILE A 66 1.119 -24.465 26.493 1.00 0.00 C ATOM 0 H ILE A 66 3.086 -21.217 25.441 1.00 0.00 H new ATOM 0 HA ILE A 66 4.234 -23.440 23.969 1.00 0.00 H new ATOM 0 HB ILE A 66 1.390 -22.589 24.653 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.076 -24.913 25.690 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.982 -23.368 26.510 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.753 -24.851 23.864 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.465 -23.891 22.545 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.433 -25.147 23.354 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.320 -24.957 27.444 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.499 -23.585 26.664 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.595 -25.155 25.831 1.00 0.00 H new ATOM 738 N GLY A 67 3.022 -20.858 22.470 1.00 0.00 N ATOM 739 CA GLY A 67 2.794 -20.239 21.169 1.00 0.00 C ATOM 740 C GLY A 67 4.102 -20.094 20.402 1.00 0.00 C ATOM 741 O GLY A 67 4.109 -19.870 19.198 1.00 0.00 O ATOM 0 H GLY A 67 3.018 -20.209 23.257 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.094 -20.843 20.592 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.335 -19.259 21.303 1.00 0.00 H new ATOM 745 N TYR A 68 5.216 -20.212 21.110 1.00 0.00 N ATOM 746 CA TYR A 68 6.529 -20.092 20.482 1.00 0.00 C ATOM 747 C TYR A 68 7.269 -21.425 20.528 1.00 0.00 C ATOM 748 O TYR A 68 8.343 -21.569 19.944 1.00 0.00 O ATOM 749 CB TYR A 68 7.354 -19.019 21.195 1.00 0.00 C ATOM 750 CG TYR A 68 8.800 -19.128 20.771 1.00 0.00 C ATOM 751 CD1 TYR A 68 9.183 -18.749 19.479 1.00 0.00 C ATOM 752 CD2 TYR A 68 9.758 -19.609 21.672 1.00 0.00 C ATOM 753 CE1 TYR A 68 10.522 -18.852 19.087 1.00 0.00 C ATOM 754 CE2 TYR A 68 11.097 -19.712 21.281 1.00 0.00 C ATOM 755 CZ TYR A 68 11.480 -19.333 19.988 1.00 0.00 C ATOM 756 OH TYR A 68 12.800 -19.437 19.602 1.00 0.00 O ATOM 0 H TYR A 68 5.240 -20.390 22.114 1.00 0.00 H new ATOM 0 HA TYR A 68 6.388 -19.805 19.440 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.967 -18.029 20.954 1.00 0.00 H new ATOM 0 HB3 TYR A 68 7.271 -19.140 22.275 1.00 0.00 H new ATOM 0 HD1 TYR A 68 8.444 -18.377 18.784 1.00 0.00 H new ATOM 0 HD2 TYR A 68 9.463 -19.901 22.669 1.00 0.00 H new ATOM 0 HE1 TYR A 68 10.817 -18.561 18.090 1.00 0.00 H new ATOM 0 HE2 TYR A 68 11.835 -20.084 21.976 1.00 0.00 H new ATOM 0 HH TYR A 68 13.332 -19.787 20.347 1.00 0.00 H new ATOM 766 N GLU A 69 6.693 -22.392 21.231 1.00 0.00 N ATOM 767 CA GLU A 69 7.311 -23.709 21.352 1.00 0.00 C ATOM 768 C GLU A 69 6.515 -24.746 20.569 1.00 0.00 C ATOM 769 O GLU A 69 6.830 -25.935 20.600 1.00 0.00 O ATOM 770 CB GLU A 69 7.383 -24.120 22.823 1.00 0.00 C ATOM 771 CG GLU A 69 8.378 -23.219 23.558 1.00 0.00 C ATOM 772 CD GLU A 69 8.392 -23.560 25.044 1.00 0.00 C ATOM 773 OE1 GLU A 69 7.665 -24.461 25.431 1.00 0.00 O ATOM 774 OE2 GLU A 69 9.126 -22.915 25.773 1.00 0.00 O ATOM 0 H GLU A 69 5.805 -22.292 21.723 1.00 0.00 H new ATOM 0 HA GLU A 69 8.320 -23.656 20.942 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.397 -24.041 23.282 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.691 -25.162 22.905 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.376 -23.347 23.138 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.105 -22.173 23.419 1.00 0.00 H new ATOM 781 N ASP A 70 5.484 -24.288 19.867 1.00 0.00 N ATOM 782 CA ASP A 70 4.648 -25.186 19.076 1.00 0.00 C ATOM 783 C ASP A 70 4.205 -24.509 17.784 1.00 0.00 C ATOM 784 O ASP A 70 4.273 -25.102 16.708 1.00 0.00 O ATOM 785 CB ASP A 70 3.418 -25.604 19.886 1.00 0.00 C ATOM 786 CG ASP A 70 3.818 -26.592 20.978 1.00 0.00 C ATOM 787 OD1 ASP A 70 4.903 -27.142 20.879 1.00 0.00 O ATOM 788 OD2 ASP A 70 3.036 -26.782 21.894 1.00 0.00 O ATOM 0 H ASP A 70 5.208 -23.307 19.829 1.00 0.00 H new ATOM 0 HA ASP A 70 5.234 -26.070 18.825 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.952 -24.726 20.333 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.677 -26.058 19.228 1.00 0.00 H new ATOM 793 N GLU A 71 3.749 -23.266 17.899 1.00 0.00 N ATOM 794 CA GLU A 71 3.294 -22.522 16.732 1.00 0.00 C ATOM 795 C GLU A 71 4.469 -21.836 16.043 1.00 0.00 C ATOM 796 O GLU A 71 4.398 -21.496 14.863 1.00 0.00 O ATOM 797 CB GLU A 71 2.263 -21.472 17.154 1.00 0.00 C ATOM 798 CG GLU A 71 1.071 -22.157 17.822 1.00 0.00 C ATOM 799 CD GLU A 71 0.324 -23.027 16.816 1.00 0.00 C ATOM 800 OE1 GLU A 71 0.646 -22.939 15.642 1.00 0.00 O ATOM 801 OE2 GLU A 71 -0.558 -23.763 17.227 1.00 0.00 O ATOM 0 H GLU A 71 3.685 -22.757 18.781 1.00 0.00 H new ATOM 0 HA GLU A 71 2.836 -23.221 16.033 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.717 -20.759 17.842 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.929 -20.907 16.284 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.416 -22.769 18.656 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.397 -21.407 18.234 1.00 0.00 H new ATOM 808 N GLY A 72 5.553 -21.643 16.788 1.00 0.00 N ATOM 809 CA GLY A 72 6.741 -21.001 16.237 1.00 0.00 C ATOM 810 C GLY A 72 6.572 -19.486 16.192 1.00 0.00 C ATOM 811 O GLY A 72 7.393 -18.779 15.607 1.00 0.00 O ATOM 0 H GLY A 72 5.633 -21.919 17.767 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.611 -21.256 16.843 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.931 -21.379 15.233 1.00 0.00 H new ATOM 893 N GLU A 78 5.784 -11.196 28.506 1.00 0.00 N ATOM 894 CA GLU A 78 4.434 -11.516 28.960 1.00 0.00 C ATOM 895 C GLU A 78 3.511 -10.363 28.607 1.00 0.00 C ATOM 896 O GLU A 78 2.382 -10.550 28.149 1.00 0.00 O ATOM 897 CB GLU A 78 4.437 -11.762 30.467 1.00 0.00 C ATOM 898 CG GLU A 78 3.090 -12.348 30.890 1.00 0.00 C ATOM 899 CD GLU A 78 2.076 -11.225 31.098 1.00 0.00 C ATOM 900 OE1 GLU A 78 0.927 -11.535 31.362 1.00 0.00 O ATOM 901 OE2 GLU A 78 2.466 -10.073 30.993 1.00 0.00 O ATOM 0 HA GLU A 78 4.080 -12.422 28.468 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.243 -12.446 30.733 1.00 0.00 H new ATOM 0 HB3 GLU A 78 4.623 -10.829 30.998 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.729 -13.039 30.128 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.206 -12.920 31.810 1.00 0.00 H new ATOM 908 N SER A 79 4.035 -9.161 28.795 1.00 0.00 N ATOM 909 CA SER A 79 3.306 -7.936 28.477 1.00 0.00 C ATOM 910 C SER A 79 2.764 -8.013 27.054 1.00 0.00 C ATOM 911 O SER A 79 1.580 -7.783 26.817 1.00 0.00 O ATOM 912 CB SER A 79 4.271 -6.748 28.576 1.00 0.00 C ATOM 913 OG SER A 79 3.528 -5.541 28.661 1.00 0.00 O ATOM 0 H SER A 79 4.971 -9.004 29.169 1.00 0.00 H new ATOM 0 HA SER A 79 2.478 -7.813 29.175 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.910 -6.857 29.452 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.926 -6.724 27.705 1.00 0.00 H new ATOM 0 HG SER A 79 4.144 -4.782 28.726 1.00 0.00 H new ATOM 919 N ALA A 80 3.633 -8.362 26.107 1.00 0.00 N ATOM 920 CA ALA A 80 3.221 -8.476 24.711 1.00 0.00 C ATOM 921 C ALA A 80 2.076 -9.476 24.572 1.00 0.00 C ATOM 922 O ALA A 80 1.258 -9.375 23.657 1.00 0.00 O ATOM 923 CB ALA A 80 4.404 -8.930 23.853 1.00 0.00 C ATOM 0 H ALA A 80 4.617 -8.569 26.279 1.00 0.00 H new ATOM 0 HA ALA A 80 2.880 -7.499 24.370 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.089 -9.013 22.813 1.00 0.00 H new ATOM 0 HB2 ALA A 80 5.211 -8.201 23.931 1.00 0.00 H new ATOM 0 HB3 ALA A 80 4.757 -9.900 24.203 1.00 0.00 H new ATOM 929 N CYS A 81 2.025 -10.441 25.483 1.00 0.00 N ATOM 930 CA CYS A 81 0.977 -11.454 25.451 1.00 0.00 C ATOM 931 C CYS A 81 -0.359 -10.853 25.872 1.00 0.00 C ATOM 932 O CYS A 81 -1.406 -11.489 25.745 1.00 0.00 O ATOM 933 CB CYS A 81 1.340 -12.602 26.383 1.00 0.00 C ATOM 934 SG CYS A 81 3.080 -13.005 26.180 1.00 0.00 S ATOM 0 H CYS A 81 2.692 -10.543 26.248 1.00 0.00 H new ATOM 0 HA CYS A 81 0.887 -11.829 24.432 1.00 0.00 H new ATOM 0 HB2 CYS A 81 1.138 -12.324 27.417 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.725 -13.474 26.161 1.00 0.00 H new ATOM 0 HG CYS A 81 3.356 -13.111 24.914 1.00 0.00 H new ATOM 940 N ARG A 82 -0.316 -9.627 26.384 1.00 0.00 N ATOM 941 CA ARG A 82 -1.532 -8.950 26.824 1.00 0.00 C ATOM 942 C ARG A 82 -1.927 -7.868 25.834 1.00 0.00 C ATOM 943 O ARG A 82 -3.081 -7.485 25.776 1.00 0.00 O ATOM 944 CB ARG A 82 -1.311 -8.324 28.204 1.00 0.00 C ATOM 945 CG ARG A 82 -1.071 -9.431 29.232 1.00 0.00 C ATOM 946 CD ARG A 82 -0.728 -8.807 30.585 1.00 0.00 C ATOM 947 NE ARG A 82 -1.876 -8.077 31.111 1.00 0.00 N ATOM 948 CZ ARG A 82 -1.779 -7.347 32.217 1.00 0.00 C ATOM 949 NH1 ARG A 82 -2.821 -6.704 32.667 1.00 0.00 N ATOM 950 NH2 ARG A 82 -0.641 -7.272 32.851 1.00 0.00 N ATOM 0 H ARG A 82 0.540 -9.085 26.504 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.334 -9.685 26.882 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.457 -7.647 28.176 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.179 -7.730 28.489 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -1.959 -10.056 29.323 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -0.258 -10.078 28.902 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -0.431 -9.586 31.287 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.122 -8.133 30.477 1.00 0.00 H new ATOM 0 HE ARG A 82 -2.769 -8.128 30.621 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -3.710 -6.762 32.170 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -2.747 -6.144 33.516 1.00 0.00 H new ATOM 0 HH21 ARG A 82 0.174 -7.774 32.498 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -0.566 -6.712 33.700 1.00 0.00 H new ATOM 964 N ASN A 83 -0.954 -7.378 25.069 1.00 0.00 N ATOM 965 CA ASN A 83 -1.214 -6.335 24.082 1.00 0.00 C ATOM 966 C ASN A 83 -1.682 -6.949 22.766 1.00 0.00 C ATOM 967 O ASN A 83 -2.652 -6.490 22.163 1.00 0.00 O ATOM 968 CB ASN A 83 0.053 -5.515 23.845 1.00 0.00 C ATOM 969 CG ASN A 83 0.602 -5.014 25.178 1.00 0.00 C ATOM 970 OD1 ASN A 83 -0.155 -4.556 26.033 1.00 0.00 O ATOM 971 ND2 ASN A 83 1.886 -5.077 25.406 1.00 0.00 N ATOM 0 H ASN A 83 0.018 -7.685 25.114 1.00 0.00 H new ATOM 0 HA ASN A 83 -2.000 -5.684 24.465 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.802 -6.124 23.339 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.166 -4.671 23.191 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.263 -4.746 26.294 1.00 0.00 H new ATOM 0 HD22 ASN A 83 2.512 -5.457 24.696 1.00 0.00 H new ATOM 978 N GLN A 84 -0.978 -7.987 22.321 1.00 0.00 N ATOM 979 CA GLN A 84 -1.324 -8.652 21.069 1.00 0.00 C ATOM 980 C GLN A 84 -2.757 -9.168 21.113 1.00 0.00 C ATOM 981 O GLN A 84 -3.601 -8.750 20.322 1.00 0.00 O ATOM 982 CB GLN A 84 -0.370 -9.824 20.822 1.00 0.00 C ATOM 983 CG GLN A 84 1.037 -9.288 20.569 1.00 0.00 C ATOM 984 CD GLN A 84 1.987 -10.443 20.259 1.00 0.00 C ATOM 985 OE1 GLN A 84 2.054 -10.905 19.120 1.00 0.00 O ATOM 986 NE2 GLN A 84 2.728 -10.940 21.211 1.00 0.00 N ATOM 0 H GLN A 84 -0.172 -8.383 22.804 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.234 -7.928 20.259 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -0.367 -10.492 21.683 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.708 -10.408 19.966 1.00 0.00 H new ATOM 0 HG2 GLN A 84 1.023 -8.584 19.737 1.00 0.00 H new ATOM 0 HG3 GLN A 84 1.389 -8.741 21.443 1.00 0.00 H new ATOM 0 HE21 GLN A 84 2.671 -10.556 22.154 1.00 0.00 H new ATOM 0 HE22 GLN A 84 3.364 -11.712 21.012 1.00 0.00 H new ATOM 995 N ILE A 85 -3.030 -10.068 22.051 1.00 0.00 N ATOM 996 CA ILE A 85 -4.366 -10.635 22.189 1.00 0.00 C ATOM 997 C ILE A 85 -5.396 -9.526 22.363 1.00 0.00 C ATOM 998 O ILE A 85 -6.494 -9.598 21.815 1.00 0.00 O ATOM 999 CB ILE A 85 -4.414 -11.572 23.397 1.00 0.00 C ATOM 1000 CG1 ILE A 85 -3.565 -12.813 23.112 1.00 0.00 C ATOM 1001 CG2 ILE A 85 -5.861 -11.995 23.659 1.00 0.00 C ATOM 1002 CD1 ILE A 85 -3.390 -13.619 24.401 1.00 0.00 C ATOM 0 H ILE A 85 -2.348 -10.419 22.724 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.599 -11.198 21.285 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.023 -11.055 24.273 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.044 -13.427 22.349 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.592 -12.518 22.720 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.895 -12.663 24.520 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.467 -11.112 23.861 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.253 -12.512 22.783 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.785 -14.503 24.198 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.893 -13.003 25.150 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.367 -13.926 24.774 1.00 0.00 H new ATOM 1014 N ILE A 86 -5.037 -8.503 23.127 1.00 0.00 N ATOM 1015 CA ILE A 86 -5.947 -7.387 23.352 1.00 0.00 C ATOM 1016 C ILE A 86 -6.256 -6.677 22.037 1.00 0.00 C ATOM 1017 O ILE A 86 -7.395 -6.320 21.772 1.00 0.00 O ATOM 1018 CB ILE A 86 -5.320 -6.390 24.351 1.00 0.00 C ATOM 1019 CG1 ILE A 86 -5.924 -6.603 25.746 1.00 0.00 C ATOM 1020 CG2 ILE A 86 -5.573 -4.944 23.895 1.00 0.00 C ATOM 1021 CD1 ILE A 86 -5.610 -5.390 26.631 1.00 0.00 C ATOM 0 H ILE A 86 -4.135 -8.422 23.596 1.00 0.00 H new ATOM 0 HA ILE A 86 -6.877 -7.775 23.767 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.245 -6.564 24.390 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.003 -6.741 25.670 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.518 -7.509 26.195 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.125 -4.253 24.610 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.127 -4.789 22.912 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.646 -4.763 23.839 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.039 -5.541 27.622 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.530 -5.273 26.717 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.038 -4.493 26.184 1.00 0.00 H new ATOM 1033 N SER A 87 -5.223 -6.431 21.245 1.00 0.00 N ATOM 1034 CA SER A 87 -5.400 -5.728 19.981 1.00 0.00 C ATOM 1035 C SER A 87 -6.383 -6.480 19.094 1.00 0.00 C ATOM 1036 O SER A 87 -7.274 -5.883 18.493 1.00 0.00 O ATOM 1037 CB SER A 87 -4.055 -5.610 19.263 1.00 0.00 C ATOM 1038 OG SER A 87 -4.279 -5.254 17.905 1.00 0.00 O ATOM 0 H SER A 87 -4.262 -6.704 21.451 1.00 0.00 H new ATOM 0 HA SER A 87 -5.794 -4.732 20.185 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.434 -4.859 19.751 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.515 -6.555 19.319 1.00 0.00 H new ATOM 0 HG SER A 87 -3.419 -5.176 17.441 1.00 0.00 H new ATOM 1044 N ILE A 88 -6.223 -7.798 19.027 1.00 0.00 N ATOM 1045 CA ILE A 88 -7.107 -8.625 18.216 1.00 0.00 C ATOM 1046 C ILE A 88 -8.560 -8.410 18.628 1.00 0.00 C ATOM 1047 O ILE A 88 -9.463 -8.555 17.831 1.00 0.00 O ATOM 1048 CB ILE A 88 -6.743 -10.100 18.379 1.00 0.00 C ATOM 1049 CG1 ILE A 88 -5.285 -10.314 17.965 1.00 0.00 C ATOM 1050 CG2 ILE A 88 -7.653 -10.954 17.495 1.00 0.00 C ATOM 1051 CD1 ILE A 88 -4.855 -11.737 18.323 1.00 0.00 C ATOM 0 H ILE A 88 -5.494 -8.313 19.521 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.987 -8.338 17.171 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.873 -10.391 19.421 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.172 -10.148 16.894 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.643 -9.591 18.469 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.392 -12.006 17.613 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.692 -10.803 17.789 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -7.525 -10.663 16.452 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.817 -11.888 18.028 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.952 -11.887 19.398 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.489 -12.452 17.798 1.00 0.00 H new ATOM 1063 N MET A 89 -8.777 -8.084 19.891 1.00 0.00 N ATOM 1064 CA MET A 89 -10.131 -7.859 20.386 1.00 0.00 C ATOM 1065 C MET A 89 -10.726 -6.588 19.785 1.00 0.00 C ATOM 1066 O MET A 89 -11.817 -6.609 19.219 1.00 0.00 O ATOM 1067 CB MET A 89 -10.112 -7.733 21.912 1.00 0.00 C ATOM 1068 CG MET A 89 -9.682 -9.064 22.529 1.00 0.00 C ATOM 1069 SD MET A 89 -10.914 -10.332 22.146 1.00 0.00 S ATOM 1070 CE MET A 89 -12.218 -9.718 23.241 1.00 0.00 C ATOM 0 H MET A 89 -8.043 -7.969 20.589 1.00 0.00 H new ATOM 0 HA MET A 89 -10.746 -8.709 20.091 1.00 0.00 H new ATOM 0 HB2 MET A 89 -9.426 -6.942 22.214 1.00 0.00 H new ATOM 0 HB3 MET A 89 -11.100 -7.454 22.277 1.00 0.00 H new ATOM 0 HG2 MET A 89 -8.708 -9.359 22.140 1.00 0.00 H new ATOM 0 HG3 MET A 89 -9.576 -8.959 23.609 1.00 0.00 H new ATOM 0 HE1 MET A 89 -12.870 -10.543 23.528 1.00 0.00 H new ATOM 0 HE2 MET A 89 -11.769 -9.283 24.134 1.00 0.00 H new ATOM 0 HE3 MET A 89 -12.801 -8.958 22.721 1.00 0.00 H new ATOM 1080 N ARG A 90 -9.989 -5.487 19.896 1.00 0.00 N ATOM 1081 CA ARG A 90 -10.458 -4.211 19.366 1.00 0.00 C ATOM 1082 C ARG A 90 -10.937 -4.385 17.927 1.00 0.00 C ATOM 1083 O ARG A 90 -11.957 -3.827 17.535 1.00 0.00 O ATOM 1084 CB ARG A 90 -9.322 -3.185 19.406 1.00 0.00 C ATOM 1085 CG ARG A 90 -9.890 -1.785 19.167 1.00 0.00 C ATOM 1086 CD ARG A 90 -8.756 -0.758 19.191 1.00 0.00 C ATOM 1087 NE ARG A 90 -7.868 -0.962 18.053 1.00 0.00 N ATOM 1088 CZ ARG A 90 -6.826 -0.164 17.844 1.00 0.00 C ATOM 1089 NH1 ARG A 90 -6.045 -0.366 16.818 1.00 0.00 N ATOM 1090 NH2 ARG A 90 -6.582 0.821 18.666 1.00 0.00 N ATOM 0 H ARG A 90 -9.073 -5.452 20.344 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.288 -3.858 19.979 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.816 -3.224 20.371 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.577 -3.421 18.646 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.405 -1.750 18.207 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.627 -1.545 19.933 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.168 0.251 19.164 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.194 -0.847 20.121 1.00 0.00 H new ATOM 0 HE ARG A 90 -8.049 -1.730 17.407 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.234 -1.136 16.177 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -5.245 0.246 16.657 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.191 0.978 19.469 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.782 1.433 18.505 1.00 0.00 H new ATOM 1104 N VAL A 91 -10.196 -5.155 17.148 1.00 0.00 N ATOM 1105 CA VAL A 91 -10.558 -5.392 15.752 1.00 0.00 C ATOM 1106 C VAL A 91 -11.821 -6.243 15.663 1.00 0.00 C ATOM 1107 O VAL A 91 -12.667 -6.023 14.804 1.00 0.00 O ATOM 1108 CB VAL A 91 -9.397 -6.088 15.027 1.00 0.00 C ATOM 1109 CG1 VAL A 91 -8.057 -5.613 15.622 1.00 0.00 C ATOM 1110 CG2 VAL A 91 -9.520 -7.607 15.181 1.00 0.00 C ATOM 0 H VAL A 91 -9.344 -5.626 17.452 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.757 -4.433 15.272 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.434 -5.834 13.968 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.234 -6.108 15.106 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.966 -4.534 15.498 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -8.022 -5.861 16.683 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.693 -8.093 14.664 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.491 -7.869 16.239 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -10.464 -7.941 14.750 1.00 0.00 H new ATOM 1120 N TYR A 92 -11.921 -7.232 16.546 1.00 0.00 N ATOM 1121 CA TYR A 92 -13.066 -8.125 16.559 1.00 0.00 C ATOM 1122 C TYR A 92 -14.330 -7.345 16.874 1.00 0.00 C ATOM 1123 O TYR A 92 -15.366 -7.575 16.272 1.00 0.00 O ATOM 1124 CB TYR A 92 -12.862 -9.233 17.593 1.00 0.00 C ATOM 1125 CG TYR A 92 -14.121 -10.059 17.696 1.00 0.00 C ATOM 1126 CD1 TYR A 92 -14.440 -10.985 16.696 1.00 0.00 C ATOM 1127 CD2 TYR A 92 -14.973 -9.897 18.797 1.00 0.00 C ATOM 1128 CE1 TYR A 92 -15.608 -11.748 16.794 1.00 0.00 C ATOM 1129 CE2 TYR A 92 -16.141 -10.662 18.895 1.00 0.00 C ATOM 1130 CZ TYR A 92 -16.459 -11.587 17.894 1.00 0.00 C ATOM 1131 OH TYR A 92 -17.612 -12.341 17.991 1.00 0.00 O ATOM 0 H TYR A 92 -11.221 -7.432 17.260 1.00 0.00 H new ATOM 0 HA TYR A 92 -13.167 -8.580 15.574 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -12.022 -9.865 17.305 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -12.617 -8.800 18.563 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -13.783 -11.110 15.848 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -14.729 -9.183 19.569 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -15.853 -12.461 16.021 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -16.797 -10.538 19.744 1.00 0.00 H new ATOM 0 HH TYR A 92 -18.088 -12.107 18.815 1.00 0.00 H new ATOM 1141 N GLU A 93 -14.233 -6.428 17.830 1.00 0.00 N ATOM 1142 CA GLU A 93 -15.379 -5.617 18.223 1.00 0.00 C ATOM 1143 C GLU A 93 -15.697 -4.578 17.154 1.00 0.00 C ATOM 1144 O GLU A 93 -16.861 -4.268 16.900 1.00 0.00 O ATOM 1145 CB GLU A 93 -15.096 -4.921 19.553 1.00 0.00 C ATOM 1146 CG GLU A 93 -14.950 -5.970 20.658 1.00 0.00 C ATOM 1147 CD GLU A 93 -16.265 -6.718 20.846 1.00 0.00 C ATOM 1148 OE1 GLU A 93 -17.283 -6.203 20.417 1.00 0.00 O ATOM 1149 OE2 GLU A 93 -16.233 -7.797 21.416 1.00 0.00 O ATOM 0 H GLU A 93 -13.376 -6.228 18.346 1.00 0.00 H new ATOM 0 HA GLU A 93 -16.241 -6.274 18.336 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -14.185 -4.327 19.478 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -15.906 -4.233 19.795 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.157 -6.672 20.401 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.660 -5.488 21.592 1.00 0.00 H new ATOM 1156 N GLN A 94 -14.651 -4.036 16.535 1.00 0.00 N ATOM 1157 CA GLN A 94 -14.832 -3.028 15.496 1.00 0.00 C ATOM 1158 C GLN A 94 -15.540 -3.621 14.284 1.00 0.00 C ATOM 1159 O GLN A 94 -16.562 -3.105 13.838 1.00 0.00 O ATOM 1160 CB GLN A 94 -13.472 -2.467 15.070 1.00 0.00 C ATOM 1161 CG GLN A 94 -13.034 -1.381 16.053 1.00 0.00 C ATOM 1162 CD GLN A 94 -11.731 -0.744 15.581 1.00 0.00 C ATOM 1163 OE1 GLN A 94 -10.592 -1.279 15.925 1.00 0.00 O flip ATOM 1164 NE2 GLN A 94 -11.753 0.268 14.880 1.00 0.00 N flip ATOM 0 H GLN A 94 -13.679 -4.275 16.733 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.447 -2.225 15.902 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -12.731 -3.266 15.041 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -13.537 -2.055 14.063 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -13.810 -0.621 16.137 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -12.900 -1.810 17.046 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -12.645 0.684 14.613 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -10.879 0.690 14.567 1.00 0.00 H new ATOM 1173 N ARG A 95 -14.993 -4.712 13.762 1.00 0.00 N ATOM 1174 CA ARG A 95 -15.580 -5.371 12.600 1.00 0.00 C ATOM 1175 C ARG A 95 -16.896 -6.048 12.979 1.00 0.00 C ATOM 1176 O ARG A 95 -17.648 -6.495 12.115 1.00 0.00 O ATOM 1177 CB ARG A 95 -14.605 -6.405 12.034 1.00 0.00 C ATOM 1178 CG ARG A 95 -15.178 -6.999 10.746 1.00 0.00 C ATOM 1179 CD ARG A 95 -14.143 -7.919 10.103 1.00 0.00 C ATOM 1180 NE ARG A 95 -14.613 -8.371 8.798 1.00 0.00 N ATOM 1181 CZ ARG A 95 -15.352 -9.468 8.675 1.00 0.00 C ATOM 1182 NH1 ARG A 95 -15.760 -9.852 7.497 1.00 0.00 N ATOM 1183 NH2 ARG A 95 -15.670 -10.162 9.735 1.00 0.00 N ATOM 0 H ARG A 95 -14.149 -5.158 14.122 1.00 0.00 H new ATOM 0 HA ARG A 95 -15.781 -4.617 11.839 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -13.640 -5.939 11.834 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -14.432 -7.195 12.765 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -16.089 -7.556 10.964 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -15.450 -6.201 10.055 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -13.195 -7.392 9.994 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -13.958 -8.778 10.748 1.00 0.00 H new ATOM 0 HE ARG A 95 -14.370 -7.835 7.965 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -15.512 -9.310 6.669 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -16.327 -10.694 7.403 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -15.351 -9.861 10.656 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -16.237 -11.004 9.642 1.00 0.00 H new ATOM 1197 N LEU A 96 -17.162 -6.120 14.276 1.00 0.00 N ATOM 1198 CA LEU A 96 -18.392 -6.734 14.761 1.00 0.00 C ATOM 1199 C LEU A 96 -19.566 -5.770 14.647 1.00 0.00 C ATOM 1200 O LEU A 96 -20.697 -6.178 14.382 1.00 0.00 O ATOM 1201 CB LEU A 96 -18.223 -7.180 16.213 1.00 0.00 C ATOM 1202 CG LEU A 96 -19.549 -7.710 16.750 1.00 0.00 C ATOM 1203 CD1 LEU A 96 -20.053 -8.837 15.846 1.00 0.00 C ATOM 1204 CD2 LEU A 96 -19.345 -8.247 18.167 1.00 0.00 C ATOM 0 H LEU A 96 -16.547 -5.764 15.008 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.602 -7.605 14.141 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -17.459 -7.954 16.278 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -17.882 -6.343 16.822 1.00 0.00 H new ATOM 0 HG LEU A 96 -20.282 -6.904 16.767 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -21.000 -9.215 16.230 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -20.198 -8.456 14.835 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -19.321 -9.644 15.828 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -20.292 -8.626 18.552 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -18.612 -9.053 18.148 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -18.986 -7.445 18.812 1.00 0.00 H new ATOM 1216 N ALA A 97 -19.291 -4.490 14.870 1.00 0.00 N ATOM 1217 CA ALA A 97 -20.335 -3.474 14.805 1.00 0.00 C ATOM 1218 C ALA A 97 -20.563 -3.036 13.363 1.00 0.00 C ATOM 1219 O ALA A 97 -21.661 -2.617 12.999 1.00 0.00 O ATOM 1220 CB ALA A 97 -19.936 -2.261 15.650 1.00 0.00 C ATOM 0 H ALA A 97 -18.362 -4.133 15.095 1.00 0.00 H new ATOM 0 HA ALA A 97 -21.259 -3.902 15.195 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -20.721 -1.506 15.597 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -19.799 -2.569 16.687 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -19.004 -1.843 15.269 1.00 0.00 H new ATOM 1226 N HIS A 98 -19.518 -3.134 12.548 1.00 0.00 N ATOM 1227 CA HIS A 98 -19.618 -2.738 11.148 1.00 0.00 C ATOM 1228 C HIS A 98 -20.525 -3.693 10.381 1.00 0.00 C ATOM 1229 O HIS A 98 -20.306 -4.903 10.376 1.00 0.00 O ATOM 1230 CB HIS A 98 -18.227 -2.729 10.509 1.00 0.00 C ATOM 1231 CG HIS A 98 -17.473 -1.509 10.964 1.00 0.00 C ATOM 1232 ND1 HIS A 98 -16.854 -1.441 12.201 1.00 0.00 N ATOM 1233 CD2 HIS A 98 -17.230 -0.303 10.355 1.00 0.00 C ATOM 1234 CE1 HIS A 98 -16.274 -0.230 12.299 1.00 0.00 C ATOM 1235 NE2 HIS A 98 -16.473 0.504 11.200 1.00 0.00 N ATOM 0 H HIS A 98 -18.601 -3.481 12.829 1.00 0.00 H new ATOM 0 HA HIS A 98 -20.047 -1.737 11.104 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -17.682 -3.631 10.787 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -18.314 -2.731 9.423 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -16.840 -2.175 12.909 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -17.574 -0.023 9.370 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -15.716 0.107 13.160 1.00 0.00 H new ATOM 1343 N THR A 105 -17.440 -13.185 2.399 1.00 0.00 N ATOM 1344 CA THR A 105 -17.313 -14.192 3.446 1.00 0.00 C ATOM 1345 C THR A 105 -16.124 -15.105 3.171 1.00 0.00 C ATOM 1346 O THR A 105 -15.960 -15.610 2.059 1.00 0.00 O ATOM 1347 CB THR A 105 -18.592 -15.028 3.526 1.00 0.00 C ATOM 1348 OG1 THR A 105 -18.366 -16.159 4.356 1.00 0.00 O ATOM 1349 CG2 THR A 105 -18.990 -15.490 2.124 1.00 0.00 C ATOM 0 HA THR A 105 -17.153 -13.682 4.396 1.00 0.00 H new ATOM 0 HB THR A 105 -19.396 -14.424 3.947 1.00 0.00 H new ATOM 0 HG1 THR A 105 -19.185 -16.695 4.409 1.00 0.00 H new ATOM 0 HG21 THR A 105 -19.901 -16.085 2.182 1.00 0.00 H new ATOM 0 HG22 THR A 105 -19.165 -14.621 1.490 1.00 0.00 H new ATOM 0 HG23 THR A 105 -18.188 -16.094 1.699 1.00 0.00 H new ATOM 1357 N THR A 106 -15.297 -15.318 4.192 1.00 0.00 N ATOM 1358 CA THR A 106 -14.127 -16.178 4.048 1.00 0.00 C ATOM 1359 C THR A 106 -14.032 -17.153 5.224 1.00 0.00 C ATOM 1360 O THR A 106 -14.572 -16.898 6.300 1.00 0.00 O ATOM 1361 CB THR A 106 -12.854 -15.324 3.961 1.00 0.00 C ATOM 1362 OG1 THR A 106 -13.099 -14.055 4.544 1.00 0.00 O ATOM 1363 CG2 THR A 106 -12.456 -15.140 2.496 1.00 0.00 C ATOM 0 H THR A 106 -15.414 -14.911 5.120 1.00 0.00 H new ATOM 0 HA THR A 106 -14.228 -16.755 3.129 1.00 0.00 H new ATOM 0 HB THR A 106 -12.046 -15.824 4.495 1.00 0.00 H new ATOM 0 HG1 THR A 106 -12.287 -13.508 4.491 1.00 0.00 H new ATOM 0 HG21 THR A 106 -11.552 -14.533 2.438 1.00 0.00 H new ATOM 0 HG22 THR A 106 -12.269 -16.114 2.045 1.00 0.00 H new ATOM 0 HG23 THR A 106 -13.263 -14.641 1.960 1.00 0.00 H new ATOM 1371 N PRO A 107 -13.356 -18.256 5.028 1.00 0.00 N ATOM 1372 CA PRO A 107 -13.185 -19.301 6.080 1.00 0.00 C ATOM 1373 C PRO A 107 -12.208 -18.876 7.176 1.00 0.00 C ATOM 1374 O PRO A 107 -12.413 -19.178 8.353 1.00 0.00 O ATOM 1375 CB PRO A 107 -12.640 -20.506 5.305 1.00 0.00 C ATOM 1376 CG PRO A 107 -11.969 -19.936 4.101 1.00 0.00 C ATOM 1377 CD PRO A 107 -12.685 -18.628 3.773 1.00 0.00 C ATOM 0 HA PRO A 107 -14.119 -19.505 6.604 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -11.938 -21.078 5.912 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -13.443 -21.186 5.021 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -10.911 -19.759 4.296 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -12.027 -20.629 3.262 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -11.982 -17.859 3.455 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -13.402 -18.759 2.962 1.00 0.00 H new ATOM 1385 N GLU A 108 -11.148 -18.180 6.782 1.00 0.00 N ATOM 1386 CA GLU A 108 -10.149 -17.724 7.741 1.00 0.00 C ATOM 1387 C GLU A 108 -10.738 -16.663 8.664 1.00 0.00 C ATOM 1388 O GLU A 108 -10.612 -16.752 9.886 1.00 0.00 O ATOM 1389 CB GLU A 108 -8.942 -17.142 7.000 1.00 0.00 C ATOM 1390 CG GLU A 108 -8.235 -18.252 6.216 1.00 0.00 C ATOM 1391 CD GLU A 108 -8.866 -18.401 4.836 1.00 0.00 C ATOM 1392 OE1 GLU A 108 -9.860 -17.739 4.587 1.00 0.00 O ATOM 1393 OE2 GLU A 108 -8.347 -19.175 4.049 1.00 0.00 O ATOM 0 H GLU A 108 -10.959 -17.921 5.814 1.00 0.00 H new ATOM 0 HA GLU A 108 -9.832 -18.577 8.341 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -9.265 -16.353 6.321 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.251 -16.688 7.710 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -7.175 -18.019 6.117 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -8.305 -19.194 6.760 1.00 0.00 H new ATOM 1400 N GLU A 109 -11.384 -15.666 8.075 1.00 0.00 N ATOM 1401 CA GLU A 109 -11.989 -14.594 8.856 1.00 0.00 C ATOM 1402 C GLU A 109 -13.094 -15.148 9.750 1.00 0.00 C ATOM 1403 O GLU A 109 -13.323 -14.651 10.851 1.00 0.00 O ATOM 1404 CB GLU A 109 -12.565 -13.523 7.923 1.00 0.00 C ATOM 1405 CG GLU A 109 -13.823 -14.056 7.236 1.00 0.00 C ATOM 1406 CD GLU A 109 -14.433 -12.971 6.366 1.00 0.00 C ATOM 1407 OE1 GLU A 109 -13.972 -11.845 6.434 1.00 0.00 O ATOM 1408 OE2 GLU A 109 -15.360 -13.286 5.637 1.00 0.00 O ATOM 0 H GLU A 109 -11.503 -15.576 7.066 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.219 -14.145 9.483 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -12.803 -12.623 8.490 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -11.823 -13.242 7.176 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -13.575 -14.926 6.628 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -14.545 -14.384 7.983 1.00 0.00 H new ATOM 1415 N ASP A 110 -13.794 -16.165 9.252 1.00 0.00 N ATOM 1416 CA ASP A 110 -14.880 -16.772 10.011 1.00 0.00 C ATOM 1417 C ASP A 110 -14.344 -17.464 11.256 1.00 0.00 C ATOM 1418 O ASP A 110 -14.874 -17.288 12.353 1.00 0.00 O ATOM 1419 CB ASP A 110 -15.625 -17.788 9.135 1.00 0.00 C ATOM 1420 CG ASP A 110 -16.684 -17.082 8.286 1.00 0.00 C ATOM 1421 OD1 ASP A 110 -17.066 -15.981 8.650 1.00 0.00 O ATOM 1422 OD2 ASP A 110 -17.096 -17.652 7.290 1.00 0.00 O ATOM 0 H ASP A 110 -13.630 -16.581 8.335 1.00 0.00 H new ATOM 0 HA ASP A 110 -15.568 -15.985 10.319 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -14.918 -18.308 8.488 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -16.097 -18.543 9.764 1.00 0.00 H new ATOM 1427 N GLU A 111 -13.285 -18.249 11.081 1.00 0.00 N ATOM 1428 CA GLU A 111 -12.688 -18.966 12.200 1.00 0.00 C ATOM 1429 C GLU A 111 -12.234 -17.991 13.281 1.00 0.00 C ATOM 1430 O GLU A 111 -12.584 -18.144 14.452 1.00 0.00 O ATOM 1431 CB GLU A 111 -11.483 -19.778 11.714 1.00 0.00 C ATOM 1432 CG GLU A 111 -10.901 -20.576 12.883 1.00 0.00 C ATOM 1433 CD GLU A 111 -9.726 -21.421 12.402 1.00 0.00 C ATOM 1434 OE1 GLU A 111 -9.273 -21.194 11.292 1.00 0.00 O ATOM 1435 OE2 GLU A 111 -9.294 -22.282 13.152 1.00 0.00 O ATOM 0 H GLU A 111 -12.827 -18.403 10.183 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.439 -19.636 12.619 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -11.785 -20.453 10.913 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.725 -19.112 11.301 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.574 -19.897 13.670 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.669 -21.218 13.314 1.00 0.00 H new ATOM 1442 N LEU A 112 -11.469 -16.982 12.880 1.00 0.00 N ATOM 1443 CA LEU A 112 -10.976 -15.991 13.828 1.00 0.00 C ATOM 1444 C LEU A 112 -12.134 -15.392 14.619 1.00 0.00 C ATOM 1445 O LEU A 112 -12.044 -15.225 15.836 1.00 0.00 O ATOM 1446 CB LEU A 112 -10.243 -14.875 13.078 1.00 0.00 C ATOM 1447 CG LEU A 112 -9.755 -13.820 14.075 1.00 0.00 C ATOM 1448 CD1 LEU A 112 -8.844 -14.481 15.113 1.00 0.00 C ATOM 1449 CD2 LEU A 112 -8.975 -12.736 13.329 1.00 0.00 C ATOM 0 H LEU A 112 -11.179 -16.829 11.914 1.00 0.00 H new ATOM 0 HA LEU A 112 -10.289 -16.481 14.518 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.398 -15.288 12.527 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.908 -14.418 12.346 1.00 0.00 H new ATOM 0 HG LEU A 112 -10.612 -13.371 14.577 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.496 -13.730 15.823 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.399 -15.254 15.645 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.987 -14.930 14.611 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.627 -11.985 14.038 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.118 -13.185 12.827 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.623 -12.265 12.590 1.00 0.00 H new ATOM 1461 N ASP A 113 -13.219 -15.072 13.926 1.00 0.00 N ATOM 1462 CA ASP A 113 -14.387 -14.495 14.581 1.00 0.00 C ATOM 1463 C ASP A 113 -14.927 -15.443 15.646 1.00 0.00 C ATOM 1464 O ASP A 113 -15.251 -15.022 16.757 1.00 0.00 O ATOM 1465 CB ASP A 113 -15.481 -14.214 13.543 1.00 0.00 C ATOM 1466 CG ASP A 113 -15.249 -12.854 12.884 1.00 0.00 C ATOM 1467 OD1 ASP A 113 -14.542 -12.051 13.470 1.00 0.00 O ATOM 1468 OD2 ASP A 113 -15.778 -12.639 11.806 1.00 0.00 O ATOM 0 H ASP A 113 -13.315 -15.201 12.919 1.00 0.00 H new ATOM 0 HA ASP A 113 -14.089 -13.562 15.059 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -15.483 -14.998 12.785 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -16.460 -14.232 14.022 1.00 0.00 H new ATOM 1473 N GLN A 114 -15.017 -16.724 15.303 1.00 0.00 N ATOM 1474 CA GLN A 114 -15.520 -17.720 16.242 1.00 0.00 C ATOM 1475 C GLN A 114 -14.611 -17.810 17.464 1.00 0.00 C ATOM 1476 O GLN A 114 -15.084 -17.820 18.600 1.00 0.00 O ATOM 1477 CB GLN A 114 -15.593 -19.088 15.560 1.00 0.00 C ATOM 1478 CG GLN A 114 -16.645 -19.050 14.449 1.00 0.00 C ATOM 1479 CD GLN A 114 -18.026 -18.806 15.047 1.00 0.00 C ATOM 1480 OE1 GLN A 114 -18.445 -19.523 15.955 1.00 0.00 O ATOM 1481 NE2 GLN A 114 -18.762 -17.832 14.588 1.00 0.00 N ATOM 0 H GLN A 114 -14.751 -17.094 14.391 1.00 0.00 H new ATOM 0 HA GLN A 114 -16.517 -17.419 16.564 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -14.620 -19.352 15.145 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -15.847 -19.857 16.290 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -16.404 -18.262 13.736 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -16.639 -19.991 13.899 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -18.412 -17.239 13.835 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -19.688 -17.663 14.982 1.00 0.00 H new ATOM 1490 N LEU A 115 -13.307 -17.870 17.223 1.00 0.00 N ATOM 1491 CA LEU A 115 -12.344 -17.967 18.314 1.00 0.00 C ATOM 1492 C LEU A 115 -12.478 -16.766 19.244 1.00 0.00 C ATOM 1493 O LEU A 115 -12.438 -16.910 20.466 1.00 0.00 O ATOM 1494 CB LEU A 115 -10.923 -18.010 17.747 1.00 0.00 C ATOM 1495 CG LEU A 115 -10.724 -19.310 16.966 1.00 0.00 C ATOM 1496 CD1 LEU A 115 -9.428 -19.228 16.158 1.00 0.00 C ATOM 1497 CD2 LEU A 115 -10.644 -20.489 17.941 1.00 0.00 C ATOM 0 H LEU A 115 -12.894 -17.853 16.290 1.00 0.00 H new ATOM 0 HA LEU A 115 -12.543 -18.880 18.876 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.754 -17.153 17.096 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -10.195 -17.944 18.556 1.00 0.00 H new ATOM 0 HG LEU A 115 -11.566 -19.457 16.289 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -9.287 -20.155 15.602 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -9.486 -18.392 15.461 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.586 -19.079 16.834 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -10.502 -21.414 17.382 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -9.804 -20.343 18.620 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.569 -20.550 18.515 1.00 0.00 H new ATOM 1509 N CYS A 116 -12.647 -15.584 18.661 1.00 0.00 N ATOM 1510 CA CYS A 116 -12.793 -14.368 19.453 1.00 0.00 C ATOM 1511 C CYS A 116 -14.057 -14.432 20.305 1.00 0.00 C ATOM 1512 O CYS A 116 -14.055 -14.027 21.468 1.00 0.00 O ATOM 1513 CB CYS A 116 -12.861 -13.150 18.530 1.00 0.00 C ATOM 1514 SG CYS A 116 -11.276 -12.949 17.680 1.00 0.00 S ATOM 0 H CYS A 116 -12.686 -15.442 17.652 1.00 0.00 H new ATOM 0 HA CYS A 116 -11.928 -14.279 20.111 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -13.663 -13.276 17.802 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -13.092 -12.255 19.108 1.00 0.00 H new ATOM 0 HG CYS A 116 -11.194 -13.807 16.707 1.00 0.00 H new ATOM 1520 N ASP A 117 -15.135 -14.945 19.719 1.00 0.00 N ATOM 1521 CA ASP A 117 -16.400 -15.056 20.435 1.00 0.00 C ATOM 1522 C ASP A 117 -16.246 -15.964 21.652 1.00 0.00 C ATOM 1523 O ASP A 117 -16.708 -15.636 22.745 1.00 0.00 O ATOM 1524 CB ASP A 117 -17.477 -15.622 19.508 1.00 0.00 C ATOM 1525 CG ASP A 117 -18.802 -15.734 20.254 1.00 0.00 C ATOM 1526 OD1 ASP A 117 -18.807 -15.499 21.451 1.00 0.00 O ATOM 1527 OD2 ASP A 117 -19.793 -16.053 19.617 1.00 0.00 O ATOM 0 H ASP A 117 -15.158 -15.288 18.758 1.00 0.00 H new ATOM 0 HA ASP A 117 -16.696 -14.062 20.770 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -17.594 -14.977 18.637 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -17.173 -16.602 19.140 1.00 0.00 H new ATOM 1532 N GLU A 118 -15.594 -17.105 21.454 1.00 0.00 N ATOM 1533 CA GLU A 118 -15.390 -18.054 22.544 1.00 0.00 C ATOM 1534 C GLU A 118 -14.543 -17.425 23.646 1.00 0.00 C ATOM 1535 O GLU A 118 -14.869 -17.532 24.828 1.00 0.00 O ATOM 1536 CB GLU A 118 -14.692 -19.309 22.015 1.00 0.00 C ATOM 1537 CG GLU A 118 -14.714 -20.395 23.093 1.00 0.00 C ATOM 1538 CD GLU A 118 -14.259 -21.724 22.503 1.00 0.00 C ATOM 1539 OE1 GLU A 118 -14.226 -21.828 21.289 1.00 0.00 O ATOM 1540 OE2 GLU A 118 -13.952 -22.619 23.274 1.00 0.00 O ATOM 0 H GLU A 118 -15.201 -17.394 20.558 1.00 0.00 H new ATOM 0 HA GLU A 118 -16.362 -18.324 22.957 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -15.193 -19.665 21.114 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -13.664 -19.077 21.738 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -14.062 -20.112 23.919 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -15.720 -20.494 23.501 1.00 0.00 H new ATOM 1547 N TRP A 119 -13.460 -16.764 23.250 1.00 0.00 N ATOM 1548 CA TRP A 119 -12.577 -16.114 24.213 1.00 0.00 C ATOM 1549 C TRP A 119 -13.309 -14.986 24.933 1.00 0.00 C ATOM 1550 O TRP A 119 -13.143 -14.793 26.137 1.00 0.00 O ATOM 1551 CB TRP A 119 -11.343 -15.559 23.501 1.00 0.00 C ATOM 1552 CG TRP A 119 -10.574 -14.689 24.442 1.00 0.00 C ATOM 1553 CD1 TRP A 119 -10.470 -13.343 24.345 1.00 0.00 C ATOM 1554 CD2 TRP A 119 -9.804 -15.076 25.616 1.00 0.00 C ATOM 1555 NE1 TRP A 119 -9.684 -12.881 25.386 1.00 0.00 N ATOM 1556 CE2 TRP A 119 -9.250 -13.911 26.196 1.00 0.00 C ATOM 1557 CE3 TRP A 119 -9.535 -16.314 26.228 1.00 0.00 C ATOM 1558 CZ2 TRP A 119 -8.457 -13.970 27.343 1.00 0.00 C ATOM 1559 CZ3 TRP A 119 -8.738 -16.377 27.383 1.00 0.00 C ATOM 1560 CH2 TRP A 119 -8.200 -15.208 27.939 1.00 0.00 C ATOM 0 H TRP A 119 -13.174 -16.664 22.276 1.00 0.00 H new ATOM 0 HA TRP A 119 -12.264 -16.854 24.949 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -10.714 -16.377 23.149 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -11.643 -14.987 22.623 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -10.925 -12.730 23.581 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -9.453 -11.899 25.536 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -9.944 -17.221 25.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -8.045 -13.066 27.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -8.538 -17.332 27.846 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -7.588 -15.264 28.827 1.00 0.00 H new ATOM 1571 N LYS A 120 -14.113 -14.238 24.185 1.00 0.00 N ATOM 1572 CA LYS A 120 -14.864 -13.130 24.758 1.00 0.00 C ATOM 1573 C LYS A 120 -15.832 -13.635 25.823 1.00 0.00 C ATOM 1574 O LYS A 120 -16.044 -12.980 26.844 1.00 0.00 O ATOM 1575 CB LYS A 120 -15.641 -12.399 23.662 1.00 0.00 C ATOM 1576 CG LYS A 120 -16.323 -11.163 24.254 1.00 0.00 C ATOM 1577 CD LYS A 120 -17.053 -10.402 23.145 1.00 0.00 C ATOM 1578 CE LYS A 120 -17.724 -9.160 23.734 1.00 0.00 C ATOM 1579 NZ LYS A 120 -18.420 -8.410 22.651 1.00 0.00 N ATOM 0 H LYS A 120 -14.260 -14.379 23.186 1.00 0.00 H new ATOM 0 HA LYS A 120 -14.159 -12.439 25.221 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -14.966 -12.105 22.858 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -16.386 -13.064 23.225 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -17.028 -11.460 25.030 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -15.583 -10.517 24.726 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -16.350 -10.112 22.364 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -17.800 -11.045 22.679 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -18.437 -9.450 24.506 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -16.979 -8.523 24.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -18.730 -7.486 23.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -17.769 -8.269 21.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -19.248 -8.952 22.330 1.00 0.00 H new ATOM 1593 N ALA A 121 -16.420 -14.800 25.574 1.00 0.00 N ATOM 1594 CA ALA A 121 -17.365 -15.383 26.520 1.00 0.00 C ATOM 1595 C ALA A 121 -16.666 -15.743 27.825 1.00 0.00 C ATOM 1596 O ALA A 121 -17.182 -15.478 28.912 1.00 0.00 O ATOM 1597 CB ALA A 121 -17.998 -16.639 25.916 1.00 0.00 C ATOM 0 H ALA A 121 -16.261 -15.355 24.733 1.00 0.00 H new ATOM 0 HA ALA A 121 -18.141 -14.647 26.729 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -18.703 -17.069 26.628 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -18.524 -16.376 24.998 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -17.219 -17.367 25.691 1.00 0.00 H new ATOM 1603 N ARG A 122 -15.486 -16.344 27.712 1.00 0.00 N ATOM 1604 CA ARG A 122 -14.727 -16.735 28.889 1.00 0.00 C ATOM 1605 C ARG A 122 -14.396 -15.515 29.744 1.00 0.00 C ATOM 1606 O ARG A 122 -14.500 -15.556 30.970 1.00 0.00 O ATOM 1607 CB ARG A 122 -13.428 -17.426 28.467 1.00 0.00 C ATOM 1608 CG ARG A 122 -12.682 -17.931 29.716 1.00 0.00 C ATOM 1609 CD ARG A 122 -11.264 -17.359 29.734 1.00 0.00 C ATOM 1610 NE ARG A 122 -10.504 -17.934 30.832 1.00 0.00 N ATOM 1611 CZ ARG A 122 -9.282 -17.501 31.121 1.00 0.00 C ATOM 1612 NH1 ARG A 122 -8.617 -18.033 32.110 1.00 0.00 N ATOM 1613 NH2 ARG A 122 -8.745 -16.543 30.415 1.00 0.00 N ATOM 0 H ARG A 122 -15.039 -16.569 26.823 1.00 0.00 H new ATOM 0 HA ARG A 122 -15.334 -17.424 29.476 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -13.648 -18.260 27.800 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -12.799 -16.731 27.911 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -13.217 -17.632 30.617 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -12.645 -19.020 29.714 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -10.767 -17.571 28.788 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -11.303 -16.275 29.838 1.00 0.00 H new ATOM 0 HE ARG A 122 -10.916 -18.682 31.390 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -9.036 -18.782 32.662 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -7.679 -17.700 32.331 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -9.264 -16.127 29.642 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -7.807 -16.210 30.637 1.00 0.00 H new ATOM 1627 N LEU A 123 -14.001 -14.431 29.089 1.00 0.00 N ATOM 1628 CA LEU A 123 -13.661 -13.202 29.795 1.00 0.00 C ATOM 1629 C LEU A 123 -14.878 -12.663 30.539 1.00 0.00 C ATOM 1630 O LEU A 123 -14.764 -12.174 31.660 1.00 0.00 O ATOM 1631 CB LEU A 123 -13.155 -12.151 28.804 1.00 0.00 C ATOM 1632 CG LEU A 123 -11.706 -12.468 28.422 1.00 0.00 C ATOM 1633 CD1 LEU A 123 -11.270 -11.553 27.275 1.00 0.00 C ATOM 1634 CD2 LEU A 123 -10.791 -12.241 29.633 1.00 0.00 C ATOM 0 H LEU A 123 -13.908 -14.377 28.075 1.00 0.00 H new ATOM 0 HA LEU A 123 -12.875 -13.423 30.517 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -13.784 -12.142 27.914 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -13.217 -11.157 29.248 1.00 0.00 H new ATOM 0 HG LEU A 123 -11.635 -13.509 28.106 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -10.239 -11.778 27.002 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -11.917 -11.716 26.413 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -11.343 -10.513 27.592 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -9.761 -12.467 29.358 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -10.861 -11.201 29.952 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -11.100 -12.893 30.450 1.00 0.00 H new ATOM 1646 N SER A 124 -16.040 -12.747 29.901 1.00 0.00 N ATOM 1647 CA SER A 124 -17.275 -12.269 30.510 1.00 0.00 C ATOM 1648 C SER A 124 -17.660 -13.140 31.702 1.00 0.00 C ATOM 1649 O SER A 124 -18.118 -12.640 32.729 1.00 0.00 O ATOM 1650 CB SER A 124 -18.403 -12.272 29.481 1.00 0.00 C ATOM 1651 OG SER A 124 -19.585 -11.758 30.079 1.00 0.00 O ATOM 0 H SER A 124 -16.152 -13.140 28.966 1.00 0.00 H new ATOM 0 HA SER A 124 -17.112 -11.250 30.861 1.00 0.00 H new ATOM 0 HB2 SER A 124 -18.125 -11.667 28.618 1.00 0.00 H new ATOM 0 HB3 SER A 124 -18.576 -13.285 29.117 1.00 0.00 H new ATOM 0 HG SER A 124 -20.311 -11.757 29.421 1.00 0.00 H new ATOM 1657 N GLU A 125 -17.481 -14.449 31.551 1.00 0.00 N ATOM 1658 CA GLU A 125 -17.819 -15.384 32.619 1.00 0.00 C ATOM 1659 C GLU A 125 -17.016 -15.072 33.877 1.00 0.00 C ATOM 1660 O GLU A 125 -17.545 -15.107 34.986 1.00 0.00 O ATOM 1661 CB GLU A 125 -17.529 -16.817 32.168 1.00 0.00 C ATOM 1662 CG GLU A 125 -17.945 -17.793 33.270 1.00 0.00 C ATOM 1663 CD GLU A 125 -17.674 -19.228 32.826 1.00 0.00 C ATOM 1664 OE1 GLU A 125 -16.586 -19.479 32.334 1.00 0.00 O ATOM 1665 OE2 GLU A 125 -18.558 -20.053 32.985 1.00 0.00 O ATOM 0 H GLU A 125 -17.107 -14.883 30.707 1.00 0.00 H new ATOM 0 HA GLU A 125 -18.880 -15.282 32.845 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -18.072 -17.037 31.249 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -16.468 -16.932 31.947 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -17.394 -17.577 34.186 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -19.004 -17.668 33.498 1.00 0.00 H new ATOM 1672 N LEU A 126 -15.737 -14.765 33.693 1.00 0.00 N ATOM 1673 CA LEU A 126 -14.865 -14.440 34.817 1.00 0.00 C ATOM 1674 C LEU A 126 -15.283 -13.118 35.453 1.00 0.00 C ATOM 1675 O LEU A 126 -15.181 -12.942 36.668 1.00 0.00 O ATOM 1676 CB LEU A 126 -13.414 -14.356 34.351 1.00 0.00 C ATOM 1677 CG LEU A 126 -12.942 -15.742 33.902 1.00 0.00 C ATOM 1678 CD1 LEU A 126 -11.555 -15.627 33.267 1.00 0.00 C ATOM 1679 CD2 LEU A 126 -12.875 -16.681 35.111 1.00 0.00 C ATOM 0 H LEU A 126 -15.282 -14.734 32.781 1.00 0.00 H new ATOM 0 HA LEU A 126 -14.954 -15.231 35.562 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -13.325 -13.646 33.529 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -12.782 -13.989 35.159 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.645 -16.144 33.172 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -11.218 -16.613 32.947 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -11.604 -14.963 32.404 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -10.853 -15.223 33.997 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -12.539 -17.666 34.788 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -12.175 -16.281 35.844 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -13.864 -16.765 35.562 1.00 0.00 H new ATOM 1691 N GLN A 127 -15.741 -12.188 34.622 1.00 0.00 N ATOM 1692 CA GLN A 127 -16.170 -10.882 35.112 1.00 0.00 C ATOM 1693 C GLN A 127 -17.406 -11.014 35.993 1.00 0.00 C ATOM 1694 O GLN A 127 -17.503 -10.377 37.042 1.00 0.00 O ATOM 1695 CB GLN A 127 -16.474 -9.956 33.934 1.00 0.00 C ATOM 1696 CG GLN A 127 -15.166 -9.503 33.284 1.00 0.00 C ATOM 1697 CD GLN A 127 -15.462 -8.674 32.038 1.00 0.00 C ATOM 1698 OE1 GLN A 127 -16.623 -8.407 31.731 1.00 0.00 O ATOM 1699 NE2 GLN A 127 -14.474 -8.252 31.297 1.00 0.00 N ATOM 0 H GLN A 127 -15.825 -12.312 33.613 1.00 0.00 H new ATOM 0 HA GLN A 127 -15.362 -10.458 35.708 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -17.095 -10.474 33.203 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -17.040 -9.090 34.276 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -14.583 -8.914 33.992 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -14.563 -10.371 33.018 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -13.512 -8.475 31.554 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -14.663 -7.699 30.461 1.00 0.00 H new ATOM 1708 N GLN A 128 -18.346 -11.848 35.562 1.00 0.00 N ATOM 1709 CA GLN A 128 -19.575 -12.057 36.319 1.00 0.00 C ATOM 1710 C GLN A 128 -19.257 -12.536 37.731 1.00 0.00 C ATOM 1711 O GLN A 128 -19.926 -12.158 38.690 1.00 0.00 O ATOM 1712 CB GLN A 128 -20.455 -13.089 35.613 1.00 0.00 C ATOM 1713 CG GLN A 128 -20.984 -12.500 34.304 1.00 0.00 C ATOM 1714 CD GLN A 128 -21.799 -13.548 33.553 1.00 0.00 C ATOM 1715 OE1 GLN A 128 -21.262 -14.579 33.146 1.00 0.00 O ATOM 1716 NE2 GLN A 128 -23.070 -13.345 33.342 1.00 0.00 N ATOM 0 H GLN A 128 -18.282 -12.387 34.698 1.00 0.00 H new ATOM 0 HA GLN A 128 -20.108 -11.108 36.380 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -19.882 -13.994 35.411 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -21.286 -13.375 36.257 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -21.602 -11.627 34.512 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -20.153 -12.162 33.685 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -23.513 -12.491 33.680 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -23.621 -14.041 32.839 1.00 0.00 H new ATOM 1725 N TYR A 129 -18.231 -13.371 37.849 1.00 0.00 N ATOM 1726 CA TYR A 129 -17.830 -13.893 39.150 1.00 0.00 C ATOM 1727 C TYR A 129 -17.397 -12.760 40.075 1.00 0.00 C ATOM 1728 O TYR A 129 -17.692 -12.776 41.269 1.00 0.00 O ATOM 1729 CB TYR A 129 -16.681 -14.893 38.983 1.00 0.00 C ATOM 1730 CG TYR A 129 -17.242 -16.271 38.720 1.00 0.00 C ATOM 1731 CD1 TYR A 129 -17.100 -16.857 37.457 1.00 0.00 C ATOM 1732 CD2 TYR A 129 -17.903 -16.961 39.743 1.00 0.00 C ATOM 1733 CE1 TYR A 129 -17.621 -18.134 37.215 1.00 0.00 C ATOM 1734 CE2 TYR A 129 -18.423 -18.239 39.501 1.00 0.00 C ATOM 1735 CZ TYR A 129 -18.282 -18.825 38.237 1.00 0.00 C ATOM 1736 OH TYR A 129 -18.795 -20.083 38.000 1.00 0.00 O ATOM 0 H TYR A 129 -17.665 -13.699 37.066 1.00 0.00 H new ATOM 0 HA TYR A 129 -18.686 -14.399 39.596 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -16.037 -14.588 38.158 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -16.064 -14.906 39.881 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -16.589 -16.324 36.669 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -18.012 -16.509 40.718 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -17.513 -18.586 36.240 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -18.933 -18.773 40.290 1.00 0.00 H new ATOM 0 HH TYR A 129 -19.221 -20.421 38.815 1.00 0.00 H new ATOM 1746 N ARG A 130 -16.690 -11.786 39.515 1.00 0.00 N ATOM 1747 CA ARG A 130 -16.215 -10.655 40.301 1.00 0.00 C ATOM 1748 C ARG A 130 -17.396 -9.896 40.901 1.00 0.00 C ATOM 1749 O ARG A 130 -17.360 -9.497 42.065 1.00 0.00 O ATOM 1750 CB ARG A 130 -15.393 -9.714 39.417 1.00 0.00 C ATOM 1751 CG ARG A 130 -14.783 -8.603 40.278 1.00 0.00 C ATOM 1752 CD ARG A 130 -13.459 -9.089 40.871 1.00 0.00 C ATOM 1753 NE ARG A 130 -12.820 -8.015 41.622 1.00 0.00 N ATOM 1754 CZ ARG A 130 -13.102 -7.812 42.905 1.00 0.00 C ATOM 1755 NH1 ARG A 130 -12.518 -6.844 43.556 1.00 0.00 N ATOM 1756 NH2 ARG A 130 -13.966 -8.578 43.513 1.00 0.00 N ATOM 0 H ARG A 130 -16.435 -11.756 38.528 1.00 0.00 H new ATOM 0 HA ARG A 130 -15.587 -11.030 41.109 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -14.604 -10.270 38.911 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -16.026 -9.282 38.642 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -14.618 -7.710 39.675 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -15.472 -8.326 41.076 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -13.636 -9.944 41.524 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -12.798 -9.429 40.074 1.00 0.00 H new ATOM 0 HE ARG A 130 -12.145 -7.409 41.155 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -11.845 -6.243 43.080 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -12.734 -6.688 44.541 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -14.425 -9.333 43.004 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -14.182 -8.422 44.498 1.00 0.00 H new ATOM 1770 N GLU A 131 -18.433 -9.692 40.097 1.00 0.00 N ATOM 1771 CA GLU A 131 -19.614 -8.972 40.561 1.00 0.00 C ATOM 1772 C GLU A 131 -20.329 -9.762 41.651 1.00 0.00 C ATOM 1773 O GLU A 131 -20.802 -9.194 42.636 1.00 0.00 O ATOM 1774 CB GLU A 131 -20.571 -8.732 39.391 1.00 0.00 C ATOM 1775 CG GLU A 131 -19.938 -7.747 38.407 1.00 0.00 C ATOM 1776 CD GLU A 131 -20.845 -7.567 37.194 1.00 0.00 C ATOM 1777 OE1 GLU A 131 -21.900 -8.178 37.173 1.00 0.00 O ATOM 1778 OE2 GLU A 131 -20.470 -6.821 36.304 1.00 0.00 O ATOM 0 H GLU A 131 -18.481 -10.011 39.129 1.00 0.00 H new ATOM 0 HA GLU A 131 -19.295 -8.014 40.973 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -20.791 -9.674 38.888 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -21.519 -8.338 39.758 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -19.775 -6.786 38.895 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -18.961 -8.113 38.090 1.00 0.00 H new