USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 814 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 SER OG : rot -143:sc= -0.0456 USER MOD Set 1.2: A 39 TYR OH : rot 73:sc= 0.889 USER MOD Single : A 17 GLN : amide:sc= -2.57! C(o=-2.6!,f=0.015!) USER MOD Single : A 18 LYS NZ :NH3+ -160:sc= -0.306! (180deg=-1.03!) USER MOD Single : A 21 THR OG1 : rot -96:sc= 1.25 USER MOD Single : A 26 GLN : amide:sc= -6.34! C(o=-6.3!,f=-3.9!) USER MOD Single : A 43 HIS : no HE2:sc= -1.44 X(o=-1.4,f=-1.6) USER MOD Single : A 44 HIS : no HD1:sc= -1.04 X(o=-1,f=-0.94) USER MOD Single : A 52 LYS NZ :NH3+ -111:sc= 0.997 (180deg=-1.05) USER MOD Single : A 55 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00519) USER MOD Single : A 62 LYS NZ :NH3+ -160:sc= -0.386 (180deg=-1.31!) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.272 USER MOD Single : A 88 MET CE :methyl 178:sc= -0.0918 (180deg=-0.0992) USER MOD Single : A 89 GLN : amide:sc= -3.21 K(o=-3.2,f=-15!) USER MOD Single : A 90 SER OG : rot 180:sc= -0.223 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -1.11! K(o=-1.1!,f=-0.38) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 15:sc= -1.8! USER MOD Single : A 120 THR OG1 : rot 176:sc= -0.665 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 156 N GLU A 11 -10.938 11.095 1.664 1.00 0.00 N ATOM 157 CA GLU A 11 -9.929 12.039 2.221 1.00 0.00 C ATOM 158 C GLU A 11 -8.786 11.251 2.865 1.00 0.00 C ATOM 159 O GLU A 11 -7.633 11.423 2.524 1.00 0.00 O ATOM 160 CB GLU A 11 -10.593 12.930 3.273 1.00 0.00 C ATOM 161 CG GLU A 11 -10.026 14.348 3.173 1.00 0.00 C ATOM 162 CD GLU A 11 -10.444 15.151 4.407 1.00 0.00 C ATOM 163 OE1 GLU A 11 -9.829 14.969 5.444 1.00 0.00 O ATOM 164 OE2 GLU A 11 -11.372 15.935 4.292 1.00 0.00 O ATOM 0 HA GLU A 11 -9.530 12.658 1.418 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.672 12.947 3.122 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.417 12.526 4.270 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.939 14.313 3.100 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.391 14.834 2.268 1.00 0.00 H new ATOM 171 N GLU A 12 -9.094 10.388 3.795 1.00 0.00 N ATOM 172 CA GLU A 12 -8.019 9.596 4.459 1.00 0.00 C ATOM 173 C GLU A 12 -7.070 9.035 3.394 1.00 0.00 C ATOM 174 O GLU A 12 -5.865 9.083 3.538 1.00 0.00 O ATOM 175 CB GLU A 12 -8.655 8.456 5.275 1.00 0.00 C ATOM 176 CG GLU A 12 -8.417 7.102 4.596 1.00 0.00 C ATOM 177 CD GLU A 12 -9.093 5.998 5.409 1.00 0.00 C ATOM 178 OE1 GLU A 12 -9.490 6.273 6.530 1.00 0.00 O ATOM 179 OE2 GLU A 12 -9.205 4.895 4.898 1.00 0.00 O ATOM 0 H GLU A 12 -10.041 10.197 4.123 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.449 10.233 5.135 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.233 8.443 6.280 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.726 8.632 5.381 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.815 7.117 3.581 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -7.348 6.906 4.516 1.00 0.00 H new ATOM 186 N LEU A 13 -7.604 8.506 2.327 1.00 0.00 N ATOM 187 CA LEU A 13 -6.730 7.947 1.257 1.00 0.00 C ATOM 188 C LEU A 13 -5.763 9.030 0.777 1.00 0.00 C ATOM 189 O LEU A 13 -4.598 8.778 0.543 1.00 0.00 O ATOM 190 CB LEU A 13 -7.595 7.476 0.086 1.00 0.00 C ATOM 191 CG LEU A 13 -8.669 6.515 0.598 1.00 0.00 C ATOM 192 CD1 LEU A 13 -9.549 6.063 -0.568 1.00 0.00 C ATOM 193 CD2 LEU A 13 -7.998 5.293 1.231 1.00 0.00 C ATOM 0 H LEU A 13 -8.606 8.437 2.150 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.164 7.102 1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.061 8.332 -0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.975 6.981 -0.661 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.284 7.021 1.342 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.314 5.378 -0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.026 6.932 -1.022 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.935 5.557 -1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.762 4.607 1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.384 4.788 0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.370 5.613 2.062 1.00 0.00 H new ATOM 205 N ILE A 14 -6.239 10.236 0.628 1.00 0.00 N ATOM 206 CA ILE A 14 -5.348 11.335 0.166 1.00 0.00 C ATOM 207 C ILE A 14 -4.304 11.627 1.245 1.00 0.00 C ATOM 208 O ILE A 14 -3.138 11.814 0.961 1.00 0.00 O ATOM 209 CB ILE A 14 -6.182 12.591 -0.094 1.00 0.00 C ATOM 210 CG1 ILE A 14 -6.869 12.472 -1.457 1.00 0.00 C ATOM 211 CG2 ILE A 14 -5.273 13.820 -0.087 1.00 0.00 C ATOM 212 CD1 ILE A 14 -8.057 13.434 -1.515 1.00 0.00 C ATOM 0 H ILE A 14 -7.206 10.507 0.806 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.846 11.037 -0.755 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.936 12.694 0.687 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.162 12.702 -2.254 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.208 11.449 -1.617 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.868 14.714 -0.272 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.783 13.905 0.883 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.518 13.719 -0.867 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.546 13.350 -2.485 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -8.767 13.183 -0.727 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.705 14.456 -1.374 1.00 0.00 H new ATOM 224 N GLU A 15 -4.715 11.664 2.483 1.00 0.00 N ATOM 225 CA GLU A 15 -3.745 11.940 3.580 1.00 0.00 C ATOM 226 C GLU A 15 -2.628 10.897 3.540 1.00 0.00 C ATOM 227 O GLU A 15 -1.458 11.225 3.516 1.00 0.00 O ATOM 228 CB GLU A 15 -4.469 11.868 4.928 1.00 0.00 C ATOM 229 CG GLU A 15 -4.420 13.237 5.610 1.00 0.00 C ATOM 230 CD GLU A 15 -5.076 13.144 6.989 1.00 0.00 C ATOM 231 OE1 GLU A 15 -4.403 12.723 7.916 1.00 0.00 O ATOM 232 OE2 GLU A 15 -6.240 13.493 7.095 1.00 0.00 O ATOM 0 H GLU A 15 -5.679 11.515 2.782 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.318 12.935 3.452 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.504 11.561 4.780 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.001 11.117 5.564 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.387 13.569 5.709 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.936 13.978 4.999 1.00 0.00 H new ATOM 239 N ILE A 16 -2.979 9.639 3.529 1.00 0.00 N ATOM 240 CA ILE A 16 -1.938 8.574 3.488 1.00 0.00 C ATOM 241 C ILE A 16 -1.048 8.780 2.260 1.00 0.00 C ATOM 242 O ILE A 16 0.145 8.978 2.373 1.00 0.00 O ATOM 243 CB ILE A 16 -2.614 7.204 3.401 1.00 0.00 C ATOM 244 CG1 ILE A 16 -3.583 7.040 4.575 1.00 0.00 C ATOM 245 CG2 ILE A 16 -1.553 6.106 3.460 1.00 0.00 C ATOM 246 CD1 ILE A 16 -4.315 5.702 4.448 1.00 0.00 C ATOM 0 H ILE A 16 -3.942 9.304 3.547 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.331 8.624 4.392 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.162 7.128 2.462 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.039 7.081 5.518 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.301 7.860 4.585 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.035 5.130 3.398 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.862 6.223 2.625 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.004 6.180 4.399 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.005 5.584 5.283 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.872 5.679 3.511 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.590 4.888 4.459 1.00 0.00 H new ATOM 258 N GLN A 17 -1.619 8.734 1.088 1.00 0.00 N ATOM 259 CA GLN A 17 -0.807 8.927 -0.147 1.00 0.00 C ATOM 260 C GLN A 17 0.075 10.167 0.012 1.00 0.00 C ATOM 261 O GLN A 17 1.196 10.207 -0.453 1.00 0.00 O ATOM 262 CB GLN A 17 -1.741 9.113 -1.345 1.00 0.00 C ATOM 263 CG GLN A 17 -2.096 7.746 -1.933 1.00 0.00 C ATOM 264 CD GLN A 17 -0.945 7.252 -2.810 1.00 0.00 C ATOM 265 OE1 GLN A 17 -0.583 7.895 -3.776 1.00 0.00 O ATOM 266 NE2 GLN A 17 -0.350 6.129 -2.515 1.00 0.00 N ATOM 0 H GLN A 17 -2.614 8.571 0.932 1.00 0.00 H new ATOM 0 HA GLN A 17 -0.177 8.053 -0.310 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.647 9.634 -1.036 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -1.260 9.732 -2.102 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.288 7.033 -1.132 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.010 7.818 -2.522 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.653 5.589 -1.705 1.00 0.00 H new ATOM 0 HE22 GLN A 17 0.418 5.791 -3.095 1.00 0.00 H new ATOM 275 N LYS A 18 -0.424 11.180 0.665 1.00 0.00 N ATOM 276 CA LYS A 18 0.384 12.419 0.854 1.00 0.00 C ATOM 277 C LYS A 18 1.690 12.071 1.574 1.00 0.00 C ATOM 278 O LYS A 18 2.765 12.423 1.133 1.00 0.00 O ATOM 279 CB LYS A 18 -0.409 13.421 1.696 1.00 0.00 C ATOM 280 CG LYS A 18 -0.036 14.846 1.281 1.00 0.00 C ATOM 281 CD LYS A 18 -0.755 15.847 2.189 1.00 0.00 C ATOM 282 CE LYS A 18 -2.124 16.184 1.596 1.00 0.00 C ATOM 283 NZ LYS A 18 -1.944 17.028 0.381 1.00 0.00 N ATOM 0 H LYS A 18 -1.357 11.204 1.076 1.00 0.00 H new ATOM 0 HA LYS A 18 0.609 12.858 -0.118 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.478 13.260 1.560 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.196 13.272 2.754 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.043 14.986 1.350 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.314 15.018 0.241 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.873 15.428 3.188 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.159 16.754 2.292 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.657 15.268 1.340 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.731 16.711 2.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.830 17.532 0.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.184 17.718 0.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.692 16.424 -0.427 1.00 0.00 H new ATOM 297 N GLU A 19 1.602 11.386 2.680 1.00 0.00 N ATOM 298 CA GLU A 19 2.836 11.017 3.432 1.00 0.00 C ATOM 299 C GLU A 19 3.699 10.085 2.578 1.00 0.00 C ATOM 300 O GLU A 19 4.828 10.392 2.253 1.00 0.00 O ATOM 301 CB GLU A 19 2.446 10.304 4.729 1.00 0.00 C ATOM 302 CG GLU A 19 3.425 10.692 5.840 1.00 0.00 C ATOM 303 CD GLU A 19 2.928 11.958 6.540 1.00 0.00 C ATOM 304 OE1 GLU A 19 1.732 12.061 6.756 1.00 0.00 O ATOM 305 OE2 GLU A 19 3.752 12.803 6.848 1.00 0.00 O ATOM 0 H GLU A 19 0.728 11.065 3.097 1.00 0.00 H new ATOM 0 HA GLU A 19 3.401 11.919 3.666 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.430 10.576 5.014 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.458 9.224 4.580 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.516 9.878 6.559 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.417 10.861 5.422 1.00 0.00 H new ATOM 312 N GLU A 20 3.176 8.945 2.215 1.00 0.00 N ATOM 313 CA GLU A 20 3.966 7.991 1.386 1.00 0.00 C ATOM 314 C GLU A 20 4.829 8.767 0.388 1.00 0.00 C ATOM 315 O GLU A 20 6.036 8.826 0.509 1.00 0.00 O ATOM 316 CB GLU A 20 3.012 7.067 0.625 1.00 0.00 C ATOM 317 CG GLU A 20 3.113 5.649 1.190 1.00 0.00 C ATOM 318 CD GLU A 20 2.640 5.645 2.645 1.00 0.00 C ATOM 319 OE1 GLU A 20 3.353 6.180 3.480 1.00 0.00 O ATOM 320 OE2 GLU A 20 1.576 5.106 2.902 1.00 0.00 O ATOM 0 H GLU A 20 2.235 8.633 2.457 1.00 0.00 H new ATOM 0 HA GLU A 20 4.610 7.397 2.034 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.989 7.432 0.712 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.260 7.065 -0.436 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.505 4.966 0.597 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.142 5.294 1.130 1.00 0.00 H new ATOM 327 N THR A 21 4.219 9.361 -0.600 1.00 0.00 N ATOM 328 CA THR A 21 5.002 10.129 -1.609 1.00 0.00 C ATOM 329 C THR A 21 6.074 10.961 -0.902 1.00 0.00 C ATOM 330 O THR A 21 7.237 10.915 -1.249 1.00 0.00 O ATOM 331 CB THR A 21 4.065 11.055 -2.385 1.00 0.00 C ATOM 332 OG1 THR A 21 3.001 10.294 -2.940 1.00 0.00 O ATOM 333 CG2 THR A 21 4.842 11.746 -3.508 1.00 0.00 C ATOM 0 H THR A 21 3.211 9.348 -0.753 1.00 0.00 H new ATOM 0 HA THR A 21 5.481 9.435 -2.300 1.00 0.00 H new ATOM 0 HB THR A 21 3.659 11.809 -1.711 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.215 10.060 -3.867 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.173 12.406 -4.061 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.657 12.330 -3.081 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.250 10.995 -4.184 1.00 0.00 H new ATOM 341 N ARG A 22 5.695 11.729 0.082 1.00 0.00 N ATOM 342 CA ARG A 22 6.695 12.567 0.802 1.00 0.00 C ATOM 343 C ARG A 22 7.922 11.723 1.155 1.00 0.00 C ATOM 344 O ARG A 22 9.036 12.051 0.796 1.00 0.00 O ATOM 345 CB ARG A 22 6.072 13.121 2.084 1.00 0.00 C ATOM 346 CG ARG A 22 6.692 14.484 2.401 1.00 0.00 C ATOM 347 CD ARG A 22 6.308 14.901 3.821 1.00 0.00 C ATOM 348 NE ARG A 22 5.810 16.312 3.818 1.00 0.00 N ATOM 349 CZ ARG A 22 6.417 17.235 3.119 1.00 0.00 C ATOM 350 NH1 ARG A 22 7.512 16.958 2.465 1.00 0.00 N ATOM 351 NH2 ARG A 22 5.937 18.449 3.091 1.00 0.00 N ATOM 0 H ARG A 22 4.736 11.813 0.419 1.00 0.00 H new ATOM 0 HA ARG A 22 6.999 13.393 0.158 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.993 13.219 1.965 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.240 12.431 2.911 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.777 14.433 2.306 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.344 15.229 1.685 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.538 14.235 4.210 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.170 14.811 4.482 1.00 0.00 H new ATOM 0 HE ARG A 22 4.987 16.557 4.368 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.900 16.015 2.497 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.979 17.684 1.922 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.091 18.675 3.614 1.00 0.00 H new ATOM 0 HH22 ARG A 22 6.408 19.171 2.547 1.00 0.00 H new ATOM 365 N ASP A 23 7.731 10.642 1.859 1.00 0.00 N ATOM 366 CA ASP A 23 8.891 9.784 2.235 1.00 0.00 C ATOM 367 C ASP A 23 9.675 9.412 0.976 1.00 0.00 C ATOM 368 O ASP A 23 10.877 9.236 1.010 1.00 0.00 O ATOM 369 CB ASP A 23 8.385 8.514 2.926 1.00 0.00 C ATOM 370 CG ASP A 23 8.098 7.436 1.879 1.00 0.00 C ATOM 371 OD1 ASP A 23 9.031 7.023 1.210 1.00 0.00 O ATOM 372 OD2 ASP A 23 6.950 7.041 1.765 1.00 0.00 O ATOM 0 H ASP A 23 6.823 10.315 2.190 1.00 0.00 H new ATOM 0 HA ASP A 23 9.543 10.328 2.919 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.129 8.155 3.637 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.481 8.733 3.494 1.00 0.00 H new ATOM 377 N ILE A 24 9.004 9.293 -0.135 1.00 0.00 N ATOM 378 CA ILE A 24 9.708 8.934 -1.398 1.00 0.00 C ATOM 379 C ILE A 24 10.459 10.158 -1.922 1.00 0.00 C ATOM 380 O ILE A 24 11.671 10.221 -1.877 1.00 0.00 O ATOM 381 CB ILE A 24 8.684 8.479 -2.438 1.00 0.00 C ATOM 382 CG1 ILE A 24 7.864 7.320 -1.866 1.00 0.00 C ATOM 383 CG2 ILE A 24 9.407 8.017 -3.703 1.00 0.00 C ATOM 384 CD1 ILE A 24 6.890 6.812 -2.929 1.00 0.00 C ATOM 0 H ILE A 24 7.997 9.429 -0.224 1.00 0.00 H new ATOM 0 HA ILE A 24 10.415 8.126 -1.208 1.00 0.00 H new ATOM 0 HB ILE A 24 8.022 9.309 -2.685 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.526 6.514 -1.549 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.316 7.649 -0.983 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.675 7.693 -4.443 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.993 8.842 -4.109 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.070 7.186 -3.460 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.306 5.987 -2.522 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.220 7.620 -3.225 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.449 6.467 -3.799 1.00 0.00 H new ATOM 396 N ILE A 25 9.748 11.135 -2.415 1.00 0.00 N ATOM 397 CA ILE A 25 10.422 12.355 -2.936 1.00 0.00 C ATOM 398 C ILE A 25 11.551 12.754 -1.983 1.00 0.00 C ATOM 399 O ILE A 25 12.545 13.324 -2.385 1.00 0.00 O ATOM 400 CB ILE A 25 9.408 13.497 -3.035 1.00 0.00 C ATOM 401 CG1 ILE A 25 8.114 12.974 -3.665 1.00 0.00 C ATOM 402 CG2 ILE A 25 9.982 14.619 -3.906 1.00 0.00 C ATOM 403 CD1 ILE A 25 8.442 12.203 -4.945 1.00 0.00 C ATOM 0 H ILE A 25 8.730 11.140 -2.479 1.00 0.00 H new ATOM 0 HA ILE A 25 10.833 12.151 -3.925 1.00 0.00 H new ATOM 0 HB ILE A 25 9.199 13.884 -2.038 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.591 12.326 -2.962 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.445 13.805 -3.890 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.259 15.432 -3.976 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.904 14.991 -3.459 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.192 14.234 -4.904 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.520 11.831 -5.392 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.946 12.865 -5.649 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.094 11.363 -4.707 1.00 0.00 H new ATOM 415 N GLN A 26 11.405 12.452 -0.722 1.00 0.00 N ATOM 416 CA GLN A 26 12.470 12.809 0.257 1.00 0.00 C ATOM 417 C GLN A 26 13.665 11.874 0.068 1.00 0.00 C ATOM 418 O GLN A 26 14.797 12.307 -0.019 1.00 0.00 O ATOM 419 CB GLN A 26 11.925 12.663 1.680 1.00 0.00 C ATOM 420 CG GLN A 26 13.088 12.477 2.655 1.00 0.00 C ATOM 421 CD GLN A 26 14.170 13.520 2.366 1.00 0.00 C ATOM 422 OE1 GLN A 26 13.915 14.707 2.416 1.00 0.00 O ATOM 423 NE2 GLN A 26 15.376 13.124 2.064 1.00 0.00 N ATOM 0 H GLN A 26 10.595 11.974 -0.328 1.00 0.00 H new ATOM 0 HA GLN A 26 12.785 13.840 0.095 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.347 13.546 1.952 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.249 11.810 1.736 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.735 12.578 3.681 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.501 11.473 2.558 1.00 0.00 H new ATOM 0 HE21 GLN A 26 15.590 12.128 2.022 1.00 0.00 H new ATOM 0 HE22 GLN A 26 16.105 13.811 1.870 1.00 0.00 H new ATOM 432 N ALA A 27 13.424 10.593 0.001 1.00 0.00 N ATOM 433 CA ALA A 27 14.548 9.632 -0.186 1.00 0.00 C ATOM 434 C ALA A 27 15.167 9.840 -1.570 1.00 0.00 C ATOM 435 O ALA A 27 16.342 9.606 -1.776 1.00 0.00 O ATOM 436 CB ALA A 27 14.021 8.200 -0.073 1.00 0.00 C ATOM 0 H ALA A 27 12.498 10.171 0.068 1.00 0.00 H new ATOM 0 HA ALA A 27 15.303 9.801 0.581 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.843 7.498 -0.210 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.578 8.052 0.912 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.266 8.029 -0.840 1.00 0.00 H new ATOM 442 N LEU A 28 14.387 10.278 -2.520 1.00 0.00 N ATOM 443 CA LEU A 28 14.933 10.502 -3.888 1.00 0.00 C ATOM 444 C LEU A 28 15.841 11.733 -3.874 1.00 0.00 C ATOM 445 O LEU A 28 17.021 11.648 -4.151 1.00 0.00 O ATOM 446 CB LEU A 28 13.779 10.731 -4.867 1.00 0.00 C ATOM 447 CG LEU A 28 13.031 9.415 -5.090 1.00 0.00 C ATOM 448 CD1 LEU A 28 11.844 9.655 -6.025 1.00 0.00 C ATOM 449 CD2 LEU A 28 13.978 8.393 -5.723 1.00 0.00 C ATOM 0 H LEU A 28 13.396 10.490 -2.408 1.00 0.00 H new ATOM 0 HA LEU A 28 15.505 9.629 -4.201 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.099 11.486 -4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 28 14.162 11.109 -5.815 1.00 0.00 H new ATOM 0 HG LEU A 28 12.670 9.035 -4.134 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.311 8.718 -6.184 1.00 0.00 H new ATOM 0 HD12 LEU A 28 11.169 10.385 -5.577 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.205 10.034 -6.981 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.447 7.455 -5.883 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.338 8.774 -6.679 1.00 0.00 H new ATOM 0 HD23 LEU A 28 14.825 8.222 -5.059 1.00 0.00 H new ATOM 461 N LEU A 29 15.302 12.876 -3.552 1.00 0.00 N ATOM 462 CA LEU A 29 16.136 14.110 -3.520 1.00 0.00 C ATOM 463 C LEU A 29 17.373 13.859 -2.653 1.00 0.00 C ATOM 464 O LEU A 29 18.422 14.432 -2.870 1.00 0.00 O ATOM 465 CB LEU A 29 15.321 15.262 -2.928 1.00 0.00 C ATOM 466 CG LEU A 29 14.785 16.146 -4.057 1.00 0.00 C ATOM 467 CD1 LEU A 29 13.433 16.734 -3.650 1.00 0.00 C ATOM 468 CD2 LEU A 29 15.774 17.284 -4.323 1.00 0.00 C ATOM 0 H LEU A 29 14.320 13.009 -3.310 1.00 0.00 H new ATOM 0 HA LEU A 29 16.445 14.370 -4.532 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.494 14.869 -2.336 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.943 15.852 -2.255 1.00 0.00 H new ATOM 0 HG LEU A 29 14.663 15.547 -4.960 1.00 0.00 H new ATOM 0 HD11 LEU A 29 13.053 17.363 -4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 29 12.728 15.926 -3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 29 13.554 17.333 -2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 29 15.395 17.915 -5.127 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.894 17.881 -3.419 1.00 0.00 H new ATOM 0 HD23 LEU A 29 16.739 16.867 -4.613 1.00 0.00 H new ATOM 480 N GLU A 30 17.257 13.006 -1.673 1.00 0.00 N ATOM 481 CA GLU A 30 18.425 12.717 -0.794 1.00 0.00 C ATOM 482 C GLU A 30 19.371 11.750 -1.509 1.00 0.00 C ATOM 483 O GLU A 30 20.575 11.818 -1.359 1.00 0.00 O ATOM 484 CB GLU A 30 17.937 12.083 0.510 1.00 0.00 C ATOM 485 CG GLU A 30 19.094 11.343 1.185 1.00 0.00 C ATOM 486 CD GLU A 30 19.164 9.909 0.655 1.00 0.00 C ATOM 487 OE1 GLU A 30 18.267 9.522 -0.073 1.00 0.00 O ATOM 488 OE2 GLU A 30 20.116 9.221 0.988 1.00 0.00 O ATOM 0 H GLU A 30 16.404 12.497 -1.443 1.00 0.00 H new ATOM 0 HA GLU A 30 18.952 13.645 -0.571 1.00 0.00 H new ATOM 0 HB2 GLU A 30 17.546 12.852 1.176 1.00 0.00 H new ATOM 0 HB3 GLU A 30 17.119 11.392 0.306 1.00 0.00 H new ATOM 0 HG2 GLU A 30 20.033 11.860 0.989 1.00 0.00 H new ATOM 0 HG3 GLU A 30 18.953 11.336 2.266 1.00 0.00 H new ATOM 495 N ASP A 31 18.835 10.850 -2.286 1.00 0.00 N ATOM 496 CA ASP A 31 19.700 9.878 -3.011 1.00 0.00 C ATOM 497 C ASP A 31 20.506 10.615 -4.083 1.00 0.00 C ATOM 498 O ASP A 31 21.603 10.223 -4.429 1.00 0.00 O ATOM 499 CB ASP A 31 18.825 8.813 -3.675 1.00 0.00 C ATOM 500 CG ASP A 31 18.728 7.590 -2.762 1.00 0.00 C ATOM 501 OD1 ASP A 31 19.763 7.132 -2.305 1.00 0.00 O ATOM 502 OD2 ASP A 31 17.621 7.130 -2.536 1.00 0.00 O ATOM 0 H ASP A 31 17.834 10.746 -2.450 1.00 0.00 H new ATOM 0 HA ASP A 31 20.381 9.401 -2.306 1.00 0.00 H new ATOM 0 HB2 ASP A 31 17.830 9.214 -3.870 1.00 0.00 H new ATOM 0 HB3 ASP A 31 19.248 8.528 -4.638 1.00 0.00 H new ATOM 507 N GLY A 32 19.971 11.681 -4.612 1.00 0.00 N ATOM 508 CA GLY A 32 20.706 12.443 -5.661 1.00 0.00 C ATOM 509 C GLY A 32 19.768 12.736 -6.835 1.00 0.00 C ATOM 510 O GLY A 32 20.178 13.261 -7.851 1.00 0.00 O ATOM 0 H GLY A 32 19.056 12.057 -4.363 1.00 0.00 H new ATOM 0 HA2 GLY A 32 21.088 13.376 -5.246 1.00 0.00 H new ATOM 0 HA3 GLY A 32 21.567 11.870 -6.005 1.00 0.00 H new ATOM 514 N SER A 33 18.515 12.400 -6.705 1.00 0.00 N ATOM 515 CA SER A 33 17.557 12.661 -7.816 1.00 0.00 C ATOM 516 C SER A 33 17.848 14.034 -8.424 1.00 0.00 C ATOM 517 O SER A 33 18.546 14.843 -7.845 1.00 0.00 O ATOM 518 CB SER A 33 16.128 12.633 -7.273 1.00 0.00 C ATOM 519 OG SER A 33 15.524 11.391 -7.607 1.00 0.00 O ATOM 0 H SER A 33 18.113 11.957 -5.879 1.00 0.00 H new ATOM 0 HA SER A 33 17.668 11.894 -8.582 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.135 12.768 -6.191 1.00 0.00 H new ATOM 0 HB3 SER A 33 15.551 13.456 -7.694 1.00 0.00 H new ATOM 0 HG SER A 33 14.578 11.534 -7.821 1.00 0.00 H new ATOM 525 N ASP A 34 17.323 14.306 -9.588 1.00 0.00 N ATOM 526 CA ASP A 34 17.578 15.627 -10.228 1.00 0.00 C ATOM 527 C ASP A 34 16.314 16.105 -10.949 1.00 0.00 C ATOM 528 O ASP A 34 16.061 15.738 -12.079 1.00 0.00 O ATOM 529 CB ASP A 34 18.715 15.490 -11.243 1.00 0.00 C ATOM 530 CG ASP A 34 19.624 16.717 -11.160 1.00 0.00 C ATOM 531 OD1 ASP A 34 19.101 17.808 -10.997 1.00 0.00 O ATOM 532 OD2 ASP A 34 20.827 16.546 -11.263 1.00 0.00 O ATOM 0 H ASP A 34 16.730 13.671 -10.122 1.00 0.00 H new ATOM 0 HA ASP A 34 17.854 16.350 -9.461 1.00 0.00 H new ATOM 0 HB2 ASP A 34 19.289 14.585 -11.042 1.00 0.00 H new ATOM 0 HB3 ASP A 34 18.308 15.393 -12.250 1.00 0.00 H new ATOM 537 N PRO A 35 15.528 16.926 -10.300 1.00 0.00 N ATOM 538 CA PRO A 35 14.272 17.470 -10.891 1.00 0.00 C ATOM 539 C PRO A 35 14.521 18.152 -12.239 1.00 0.00 C ATOM 540 O PRO A 35 13.604 18.421 -12.990 1.00 0.00 O ATOM 541 CB PRO A 35 13.787 18.494 -9.860 1.00 0.00 C ATOM 542 CG PRO A 35 14.436 18.106 -8.573 1.00 0.00 C ATOM 543 CD PRO A 35 15.753 17.423 -8.936 1.00 0.00 C ATOM 0 HA PRO A 35 13.547 16.681 -11.090 1.00 0.00 H new ATOM 0 HB2 PRO A 35 14.068 19.506 -10.151 1.00 0.00 H new ATOM 0 HB3 PRO A 35 12.701 18.477 -9.772 1.00 0.00 H new ATOM 0 HG2 PRO A 35 14.613 18.982 -7.949 1.00 0.00 H new ATOM 0 HG3 PRO A 35 13.795 17.433 -8.003 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.589 18.121 -8.898 1.00 0.00 H new ATOM 0 HD3 PRO A 35 15.985 16.610 -8.248 1.00 0.00 H new ATOM 551 N ASP A 36 15.757 18.436 -12.551 1.00 0.00 N ATOM 552 CA ASP A 36 16.067 19.102 -13.848 1.00 0.00 C ATOM 553 C ASP A 36 16.234 18.041 -14.938 1.00 0.00 C ATOM 554 O ASP A 36 16.835 18.282 -15.967 1.00 0.00 O ATOM 555 CB ASP A 36 17.364 19.905 -13.711 1.00 0.00 C ATOM 556 CG ASP A 36 17.104 21.367 -14.082 1.00 0.00 C ATOM 557 OD1 ASP A 36 17.163 21.679 -15.261 1.00 0.00 O ATOM 558 OD2 ASP A 36 16.851 22.150 -13.181 1.00 0.00 O ATOM 0 H ASP A 36 16.566 18.235 -11.963 1.00 0.00 H new ATOM 0 HA ASP A 36 15.252 19.773 -14.118 1.00 0.00 H new ATOM 0 HB2 ASP A 36 17.738 19.839 -12.689 1.00 0.00 H new ATOM 0 HB3 ASP A 36 18.133 19.486 -14.360 1.00 0.00 H new ATOM 563 N ALA A 37 15.702 16.869 -14.724 1.00 0.00 N ATOM 564 CA ALA A 37 15.828 15.796 -15.749 1.00 0.00 C ATOM 565 C ALA A 37 14.452 15.182 -16.014 1.00 0.00 C ATOM 566 O ALA A 37 14.322 14.204 -16.725 1.00 0.00 O ATOM 567 CB ALA A 37 16.782 14.713 -15.241 1.00 0.00 C ATOM 0 H ALA A 37 15.186 16.609 -13.884 1.00 0.00 H new ATOM 0 HA ALA A 37 16.221 16.220 -16.673 1.00 0.00 H new ATOM 0 HB1 ALA A 37 16.874 13.928 -15.991 1.00 0.00 H new ATOM 0 HB2 ALA A 37 17.762 15.151 -15.052 1.00 0.00 H new ATOM 0 HB3 ALA A 37 16.391 14.288 -14.317 1.00 0.00 H new ATOM 573 N LEU A 38 13.421 15.750 -15.450 1.00 0.00 N ATOM 574 CA LEU A 38 12.053 15.202 -15.670 1.00 0.00 C ATOM 575 C LEU A 38 11.986 13.762 -15.160 1.00 0.00 C ATOM 576 O LEU A 38 12.988 13.085 -15.042 1.00 0.00 O ATOM 577 CB LEU A 38 11.730 15.228 -17.165 1.00 0.00 C ATOM 578 CG LEU A 38 10.799 16.403 -17.466 1.00 0.00 C ATOM 579 CD1 LEU A 38 10.912 16.778 -18.945 1.00 0.00 C ATOM 580 CD2 LEU A 38 9.355 16.003 -17.152 1.00 0.00 C ATOM 0 H LEU A 38 13.467 16.571 -14.846 1.00 0.00 H new ATOM 0 HA LEU A 38 11.329 15.810 -15.128 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.648 15.320 -17.745 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.258 14.291 -17.462 1.00 0.00 H new ATOM 0 HG LEU A 38 11.083 17.257 -16.851 1.00 0.00 H new ATOM 0 HD11 LEU A 38 10.248 17.616 -19.160 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.940 17.062 -19.171 1.00 0.00 H new ATOM 0 HD13 LEU A 38 10.628 15.924 -19.560 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.691 16.840 -17.366 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.072 15.149 -17.767 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.273 15.735 -16.099 1.00 0.00 H new ATOM 592 N TYR A 39 10.809 13.287 -14.855 1.00 0.00 N ATOM 593 CA TYR A 39 10.674 11.892 -14.351 1.00 0.00 C ATOM 594 C TYR A 39 9.465 11.227 -15.013 1.00 0.00 C ATOM 595 O TYR A 39 8.603 11.887 -15.560 1.00 0.00 O ATOM 596 CB TYR A 39 10.477 11.914 -12.834 1.00 0.00 C ATOM 597 CG TYR A 39 11.756 11.493 -12.151 1.00 0.00 C ATOM 598 CD1 TYR A 39 12.791 12.419 -11.968 1.00 0.00 C ATOM 599 CD2 TYR A 39 11.906 10.178 -11.695 1.00 0.00 C ATOM 600 CE1 TYR A 39 13.975 12.029 -11.333 1.00 0.00 C ATOM 601 CE2 TYR A 39 13.091 9.788 -11.060 1.00 0.00 C ATOM 602 CZ TYR A 39 14.125 10.713 -10.878 1.00 0.00 C ATOM 603 OH TYR A 39 15.292 10.329 -10.250 1.00 0.00 O ATOM 0 H TYR A 39 9.934 13.806 -14.933 1.00 0.00 H new ATOM 0 HA TYR A 39 11.576 11.329 -14.591 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.191 12.914 -12.509 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.665 11.243 -12.553 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.675 13.434 -12.317 1.00 0.00 H new ATOM 0 HD2 TYR A 39 11.107 9.464 -11.833 1.00 0.00 H new ATOM 0 HE1 TYR A 39 14.773 12.743 -11.194 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.207 8.773 -10.710 1.00 0.00 H new ATOM 0 HH TYR A 39 15.323 10.719 -9.351 1.00 0.00 H new ATOM 613 N GLU A 40 9.393 9.925 -14.967 1.00 0.00 N ATOM 614 CA GLU A 40 8.241 9.217 -15.592 1.00 0.00 C ATOM 615 C GLU A 40 7.394 8.558 -14.500 1.00 0.00 C ATOM 616 O GLU A 40 7.812 7.615 -13.859 1.00 0.00 O ATOM 617 CB GLU A 40 8.762 8.144 -16.553 1.00 0.00 C ATOM 618 CG GLU A 40 8.757 8.693 -17.982 1.00 0.00 C ATOM 619 CD GLU A 40 9.798 7.946 -18.819 1.00 0.00 C ATOM 620 OE1 GLU A 40 9.558 6.794 -19.137 1.00 0.00 O ATOM 621 OE2 GLU A 40 10.816 8.541 -19.131 1.00 0.00 O ATOM 0 H GLU A 40 10.084 9.320 -14.523 1.00 0.00 H new ATOM 0 HA GLU A 40 7.630 9.932 -16.143 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.772 7.846 -16.270 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.138 7.252 -16.492 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.768 8.577 -18.424 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.979 9.760 -17.974 1.00 0.00 H new ATOM 628 N ILE A 41 6.205 9.050 -14.285 1.00 0.00 N ATOM 629 CA ILE A 41 5.328 8.457 -13.236 1.00 0.00 C ATOM 630 C ILE A 41 4.604 7.236 -13.806 1.00 0.00 C ATOM 631 O ILE A 41 4.379 7.135 -14.997 1.00 0.00 O ATOM 632 CB ILE A 41 4.295 9.495 -12.790 1.00 0.00 C ATOM 633 CG1 ILE A 41 4.962 10.869 -12.681 1.00 0.00 C ATOM 634 CG2 ILE A 41 3.714 9.098 -11.430 1.00 0.00 C ATOM 635 CD1 ILE A 41 6.182 10.778 -11.762 1.00 0.00 C ATOM 0 H ILE A 41 5.802 9.838 -14.791 1.00 0.00 H new ATOM 0 HA ILE A 41 5.936 8.155 -12.383 1.00 0.00 H new ATOM 0 HB ILE A 41 3.491 9.539 -13.525 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.264 11.217 -13.669 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.253 11.598 -12.289 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.979 9.840 -11.117 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.233 8.123 -11.510 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.515 9.048 -10.693 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.654 11.757 -11.686 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.868 10.449 -10.771 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.894 10.062 -12.173 1.00 0.00 H new ATOM 647 N GLU A 42 4.233 6.310 -12.964 1.00 0.00 N ATOM 648 CA GLU A 42 3.520 5.096 -13.452 1.00 0.00 C ATOM 649 C GLU A 42 2.335 4.801 -12.530 1.00 0.00 C ATOM 650 O GLU A 42 2.503 4.330 -11.423 1.00 0.00 O ATOM 651 CB GLU A 42 4.479 3.904 -13.450 1.00 0.00 C ATOM 652 CG GLU A 42 3.963 2.832 -14.413 1.00 0.00 C ATOM 653 CD GLU A 42 2.483 2.565 -14.133 1.00 0.00 C ATOM 654 OE1 GLU A 42 2.200 1.844 -13.190 1.00 0.00 O ATOM 655 OE2 GLU A 42 1.658 3.085 -14.865 1.00 0.00 O ATOM 0 H GLU A 42 4.393 6.342 -11.957 1.00 0.00 H new ATOM 0 HA GLU A 42 3.160 5.267 -14.466 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.477 4.226 -13.748 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.564 3.494 -12.444 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.096 3.160 -15.444 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.538 1.914 -14.294 1.00 0.00 H new ATOM 662 N HIS A 43 1.139 5.076 -12.974 1.00 0.00 N ATOM 663 CA HIS A 43 -0.050 4.811 -12.117 1.00 0.00 C ATOM 664 C HIS A 43 -0.713 3.501 -12.549 1.00 0.00 C ATOM 665 O HIS A 43 -0.719 3.151 -13.712 1.00 0.00 O ATOM 666 CB HIS A 43 -1.051 5.958 -12.264 1.00 0.00 C ATOM 667 CG HIS A 43 -0.317 7.271 -12.246 1.00 0.00 C ATOM 668 ND1 HIS A 43 -0.243 8.062 -11.107 1.00 0.00 N ATOM 669 CD2 HIS A 43 0.379 7.948 -13.217 1.00 0.00 C ATOM 670 CE1 HIS A 43 0.473 9.157 -11.418 1.00 0.00 C ATOM 671 NE2 HIS A 43 0.875 9.135 -12.690 1.00 0.00 N ATOM 0 H HIS A 43 0.935 5.472 -13.891 1.00 0.00 H new ATOM 0 HA HIS A 43 0.266 4.733 -11.077 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.606 5.853 -13.196 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.779 5.925 -11.454 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -0.657 7.851 -10.199 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.519 7.610 -14.233 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.695 9.955 -10.725 1.00 0.00 H new ATOM 679 N HIS A 44 -1.273 2.776 -11.620 1.00 0.00 N ATOM 680 CA HIS A 44 -1.938 1.491 -11.975 1.00 0.00 C ATOM 681 C HIS A 44 -3.423 1.576 -11.615 1.00 0.00 C ATOM 682 O HIS A 44 -3.786 1.990 -10.531 1.00 0.00 O ATOM 683 CB HIS A 44 -1.285 0.347 -11.198 1.00 0.00 C ATOM 684 CG HIS A 44 -0.086 -0.150 -11.959 1.00 0.00 C ATOM 685 ND1 HIS A 44 1.121 -0.436 -11.335 1.00 0.00 N ATOM 686 CD2 HIS A 44 0.109 -0.413 -13.292 1.00 0.00 C ATOM 687 CE1 HIS A 44 1.980 -0.850 -12.285 1.00 0.00 C ATOM 688 NE2 HIS A 44 1.412 -0.855 -13.492 1.00 0.00 N ATOM 0 H HIS A 44 -1.299 3.018 -10.630 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.832 1.306 -13.044 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.985 0.689 -10.208 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.999 -0.463 -11.052 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.635 -0.295 -14.066 1.00 0.00 H new ATOM 0 HE1 HIS A 44 3.002 -1.142 -12.094 1.00 0.00 H new ATOM 0 HE2 HIS A 44 1.843 -1.126 -14.376 1.00 0.00 H new ATOM 696 N LEU A 45 -4.288 1.194 -12.515 1.00 0.00 N ATOM 697 CA LEU A 45 -5.747 1.262 -12.221 1.00 0.00 C ATOM 698 C LEU A 45 -6.420 -0.049 -12.632 1.00 0.00 C ATOM 699 O LEU A 45 -5.997 -0.714 -13.558 1.00 0.00 O ATOM 700 CB LEU A 45 -6.367 2.420 -13.006 1.00 0.00 C ATOM 701 CG LEU A 45 -5.808 3.745 -12.486 1.00 0.00 C ATOM 702 CD1 LEU A 45 -4.829 4.324 -13.509 1.00 0.00 C ATOM 703 CD2 LEU A 45 -6.958 4.731 -12.268 1.00 0.00 C ATOM 0 H LEU A 45 -4.047 0.838 -13.440 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.893 1.421 -11.153 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.147 2.312 -14.068 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.452 2.405 -12.902 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.289 3.575 -11.543 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.431 5.268 -13.138 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.010 3.622 -13.667 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.347 4.495 -14.453 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.562 5.676 -11.897 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.476 4.900 -13.212 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.657 4.320 -11.539 1.00 0.00 H new ATOM 715 N PHE A 46 -7.468 -0.426 -11.950 1.00 0.00 N ATOM 716 CA PHE A 46 -8.169 -1.693 -12.301 1.00 0.00 C ATOM 717 C PHE A 46 -9.681 -1.461 -12.298 1.00 0.00 C ATOM 718 O PHE A 46 -10.177 -0.530 -11.694 1.00 0.00 O ATOM 719 CB PHE A 46 -7.816 -2.775 -11.278 1.00 0.00 C ATOM 720 CG PHE A 46 -7.044 -2.160 -10.134 1.00 0.00 C ATOM 721 CD1 PHE A 46 -5.730 -1.721 -10.332 1.00 0.00 C ATOM 722 CD2 PHE A 46 -7.643 -2.034 -8.875 1.00 0.00 C ATOM 723 CE1 PHE A 46 -5.014 -1.154 -9.271 1.00 0.00 C ATOM 724 CE2 PHE A 46 -6.926 -1.466 -7.813 1.00 0.00 C ATOM 725 CZ PHE A 46 -5.612 -1.026 -8.012 1.00 0.00 C ATOM 0 H PHE A 46 -7.868 0.089 -11.166 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.854 -2.016 -13.293 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -8.725 -3.247 -10.904 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -7.222 -3.557 -11.751 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.268 -1.820 -11.303 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -8.657 -2.374 -8.722 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.000 -0.815 -9.424 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -7.387 -1.368 -6.841 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.060 -0.588 -7.194 1.00 0.00 H new ATOM 735 N ALA A 47 -10.418 -2.302 -12.971 1.00 0.00 N ATOM 736 CA ALA A 47 -11.899 -2.131 -13.009 1.00 0.00 C ATOM 737 C ALA A 47 -12.569 -3.491 -13.207 1.00 0.00 C ATOM 738 O ALA A 47 -11.913 -4.509 -13.312 1.00 0.00 O ATOM 739 CB ALA A 47 -12.274 -1.206 -14.168 1.00 0.00 C ATOM 0 H ALA A 47 -10.059 -3.100 -13.496 1.00 0.00 H new ATOM 0 HA ALA A 47 -12.237 -1.695 -12.069 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.356 -1.080 -14.197 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.799 -0.235 -14.027 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -11.934 -1.643 -15.107 1.00 0.00 H new ATOM 745 N GLU A 48 -13.873 -3.516 -13.263 1.00 0.00 N ATOM 746 CA GLU A 48 -14.587 -4.809 -13.457 1.00 0.00 C ATOM 747 C GLU A 48 -15.328 -4.784 -14.795 1.00 0.00 C ATOM 748 O GLU A 48 -15.417 -5.780 -15.484 1.00 0.00 O ATOM 749 CB GLU A 48 -15.592 -5.010 -12.321 1.00 0.00 C ATOM 750 CG GLU A 48 -15.097 -6.119 -11.392 1.00 0.00 C ATOM 751 CD GLU A 48 -15.022 -7.437 -12.165 1.00 0.00 C ATOM 752 OE1 GLU A 48 -16.059 -7.900 -12.609 1.00 0.00 O ATOM 753 OE2 GLU A 48 -13.928 -7.959 -12.300 1.00 0.00 O ATOM 0 H GLU A 48 -14.474 -2.696 -13.183 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.867 -5.628 -13.455 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -15.716 -4.082 -11.763 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -16.569 -5.271 -12.728 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -14.115 -5.863 -10.993 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -15.770 -6.222 -10.541 1.00 0.00 H new ATOM 760 N ASP A 49 -15.863 -3.654 -15.166 1.00 0.00 N ATOM 761 CA ASP A 49 -16.598 -3.566 -16.459 1.00 0.00 C ATOM 762 C ASP A 49 -15.769 -2.763 -17.464 1.00 0.00 C ATOM 763 O ASP A 49 -15.526 -1.585 -17.284 1.00 0.00 O ATOM 764 CB ASP A 49 -17.944 -2.871 -16.235 1.00 0.00 C ATOM 765 CG ASP A 49 -18.976 -3.417 -17.223 1.00 0.00 C ATOM 766 OD1 ASP A 49 -18.813 -4.546 -17.656 1.00 0.00 O ATOM 767 OD2 ASP A 49 -19.912 -2.698 -17.530 1.00 0.00 O ATOM 0 H ASP A 49 -15.823 -2.787 -14.630 1.00 0.00 H new ATOM 0 HA ASP A 49 -16.768 -4.569 -16.849 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -18.283 -3.035 -15.212 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -17.835 -1.794 -16.366 1.00 0.00 H new ATOM 772 N PHE A 50 -15.331 -3.390 -18.521 1.00 0.00 N ATOM 773 CA PHE A 50 -14.517 -2.665 -19.537 1.00 0.00 C ATOM 774 C PHE A 50 -15.258 -1.402 -19.978 1.00 0.00 C ATOM 775 O PHE A 50 -14.703 -0.541 -20.632 1.00 0.00 O ATOM 776 CB PHE A 50 -14.290 -3.571 -20.747 1.00 0.00 C ATOM 777 CG PHE A 50 -13.350 -2.896 -21.717 1.00 0.00 C ATOM 778 CD1 PHE A 50 -12.022 -2.648 -21.349 1.00 0.00 C ATOM 779 CD2 PHE A 50 -13.806 -2.518 -22.986 1.00 0.00 C ATOM 780 CE1 PHE A 50 -11.150 -2.022 -22.249 1.00 0.00 C ATOM 781 CE2 PHE A 50 -12.934 -1.893 -23.886 1.00 0.00 C ATOM 782 CZ PHE A 50 -11.607 -1.646 -23.518 1.00 0.00 C ATOM 0 H PHE A 50 -15.502 -4.375 -18.725 1.00 0.00 H new ATOM 0 HA PHE A 50 -13.556 -2.389 -19.103 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -13.873 -4.526 -20.426 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -15.240 -3.786 -21.236 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -11.670 -2.940 -20.371 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -14.830 -2.709 -23.271 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -10.126 -1.830 -21.964 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -13.286 -1.602 -24.865 1.00 0.00 H new ATOM 0 HZ PHE A 50 -10.935 -1.165 -24.213 1.00 0.00 H new ATOM 792 N ASP A 51 -16.508 -1.282 -19.625 1.00 0.00 N ATOM 793 CA ASP A 51 -17.282 -0.074 -20.027 1.00 0.00 C ATOM 794 C ASP A 51 -16.721 1.155 -19.307 1.00 0.00 C ATOM 795 O ASP A 51 -16.086 2.001 -19.906 1.00 0.00 O ATOM 796 CB ASP A 51 -18.753 -0.260 -19.645 1.00 0.00 C ATOM 797 CG ASP A 51 -19.605 0.782 -20.372 1.00 0.00 C ATOM 798 OD1 ASP A 51 -19.652 0.734 -21.590 1.00 0.00 O ATOM 799 OD2 ASP A 51 -20.196 1.610 -19.698 1.00 0.00 O ATOM 0 H ASP A 51 -17.027 -1.968 -19.076 1.00 0.00 H new ATOM 0 HA ASP A 51 -17.201 0.067 -21.105 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -19.084 -1.264 -19.909 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -18.875 -0.157 -18.567 1.00 0.00 H new ATOM 804 N LYS A 52 -16.949 1.260 -18.026 1.00 0.00 N ATOM 805 CA LYS A 52 -16.429 2.434 -17.268 1.00 0.00 C ATOM 806 C LYS A 52 -14.909 2.511 -17.425 1.00 0.00 C ATOM 807 O LYS A 52 -14.336 3.579 -17.512 1.00 0.00 O ATOM 808 CB LYS A 52 -16.778 2.276 -15.787 1.00 0.00 C ATOM 809 CG LYS A 52 -16.014 1.082 -15.209 1.00 0.00 C ATOM 810 CD LYS A 52 -16.483 0.817 -13.776 1.00 0.00 C ATOM 811 CE LYS A 52 -16.288 -0.664 -13.441 1.00 0.00 C ATOM 812 NZ LYS A 52 -15.713 -0.792 -12.072 1.00 0.00 N ATOM 0 H LYS A 52 -17.473 0.583 -17.471 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.881 3.347 -17.656 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.521 3.185 -15.243 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -17.851 2.127 -15.669 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.179 0.199 -15.826 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -14.943 1.283 -15.220 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.920 1.436 -13.077 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -17.533 1.090 -13.669 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -17.241 -1.189 -13.497 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -15.625 -1.129 -14.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.735 -1.140 -12.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -15.719 0.137 -11.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -16.283 -1.463 -11.518 1.00 0.00 H new ATOM 826 N LEU A 53 -14.250 1.385 -17.454 1.00 0.00 N ATOM 827 CA LEU A 53 -12.767 1.389 -17.598 1.00 0.00 C ATOM 828 C LEU A 53 -12.373 2.110 -18.890 1.00 0.00 C ATOM 829 O LEU A 53 -11.561 3.015 -18.884 1.00 0.00 O ATOM 830 CB LEU A 53 -12.261 -0.054 -17.646 1.00 0.00 C ATOM 831 CG LEU A 53 -10.744 -0.076 -17.448 1.00 0.00 C ATOM 832 CD1 LEU A 53 -10.292 -1.500 -17.121 1.00 0.00 C ATOM 833 CD2 LEU A 53 -10.054 0.394 -18.731 1.00 0.00 C ATOM 0 H LEU A 53 -14.676 0.461 -17.384 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.323 1.907 -16.748 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -12.747 -0.646 -16.870 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -12.519 -0.508 -18.603 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.477 0.589 -16.626 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.211 -1.515 -16.980 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.782 -1.836 -16.207 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.560 -2.165 -17.942 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.973 0.378 -18.590 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.322 -0.270 -19.553 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.374 1.409 -18.966 1.00 0.00 H new ATOM 845 N GLU A 54 -12.937 1.714 -19.997 1.00 0.00 N ATOM 846 CA GLU A 54 -12.591 2.371 -21.290 1.00 0.00 C ATOM 847 C GLU A 54 -12.819 3.881 -21.184 1.00 0.00 C ATOM 848 O GLU A 54 -11.927 4.673 -21.416 1.00 0.00 O ATOM 849 CB GLU A 54 -13.474 1.801 -22.402 1.00 0.00 C ATOM 850 CG GLU A 54 -12.910 2.211 -23.763 1.00 0.00 C ATOM 851 CD GLU A 54 -13.338 1.192 -24.821 1.00 0.00 C ATOM 852 OE1 GLU A 54 -14.282 0.463 -24.564 1.00 0.00 O ATOM 853 OE2 GLU A 54 -12.715 1.158 -25.869 1.00 0.00 O ATOM 0 H GLU A 54 -13.624 0.963 -20.063 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.542 2.181 -21.519 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -13.516 0.714 -22.326 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -14.495 2.168 -22.294 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.269 3.204 -24.033 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.822 2.267 -23.716 1.00 0.00 H new ATOM 860 N LYS A 55 -14.010 4.287 -20.842 1.00 0.00 N ATOM 861 CA LYS A 55 -14.298 5.745 -20.730 1.00 0.00 C ATOM 862 C LYS A 55 -13.228 6.423 -19.867 1.00 0.00 C ATOM 863 O LYS A 55 -12.540 7.322 -20.307 1.00 0.00 O ATOM 864 CB LYS A 55 -15.671 5.943 -20.085 1.00 0.00 C ATOM 865 CG LYS A 55 -16.253 7.287 -20.528 1.00 0.00 C ATOM 866 CD LYS A 55 -17.183 7.071 -21.722 1.00 0.00 C ATOM 867 CE LYS A 55 -17.709 8.422 -22.212 1.00 0.00 C ATOM 868 NZ LYS A 55 -16.670 9.084 -23.050 1.00 0.00 N ATOM 0 H LYS A 55 -14.797 3.672 -20.635 1.00 0.00 H new ATOM 0 HA LYS A 55 -14.291 6.190 -21.725 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -16.340 5.132 -20.373 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -15.582 5.913 -18.999 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -16.801 7.747 -19.705 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -15.449 7.972 -20.799 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -16.649 6.564 -22.525 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -18.015 6.427 -21.437 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -18.622 8.281 -22.790 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -17.964 9.055 -21.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -17.039 9.987 -23.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -15.822 9.262 -22.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -16.423 8.466 -23.849 1.00 0.00 H new ATOM 882 N ALA A 56 -13.091 6.002 -18.640 1.00 0.00 N ATOM 883 CA ALA A 56 -12.074 6.626 -17.745 1.00 0.00 C ATOM 884 C ALA A 56 -10.702 6.614 -18.425 1.00 0.00 C ATOM 885 O ALA A 56 -9.920 7.533 -18.277 1.00 0.00 O ATOM 886 CB ALA A 56 -11.999 5.839 -16.436 1.00 0.00 C ATOM 0 H ALA A 56 -13.639 5.253 -18.218 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.362 7.657 -17.539 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.256 6.293 -15.780 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.973 5.854 -15.946 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.715 4.808 -16.647 1.00 0.00 H new ATOM 892 N ALA A 57 -10.400 5.582 -19.161 1.00 0.00 N ATOM 893 CA ALA A 57 -9.074 5.514 -19.840 1.00 0.00 C ATOM 894 C ALA A 57 -8.941 6.671 -20.834 1.00 0.00 C ATOM 895 O ALA A 57 -7.912 7.311 -20.921 1.00 0.00 O ATOM 896 CB ALA A 57 -8.952 4.185 -20.586 1.00 0.00 C ATOM 0 H ALA A 57 -11.012 4.783 -19.323 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.283 5.588 -19.094 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.983 4.134 -21.083 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.040 3.361 -19.878 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -9.745 4.111 -21.330 1.00 0.00 H new ATOM 902 N VAL A 58 -9.970 6.942 -21.589 1.00 0.00 N ATOM 903 CA VAL A 58 -9.896 8.053 -22.580 1.00 0.00 C ATOM 904 C VAL A 58 -9.670 9.382 -21.857 1.00 0.00 C ATOM 905 O VAL A 58 -8.804 10.154 -22.216 1.00 0.00 O ATOM 906 CB VAL A 58 -11.205 8.120 -23.370 1.00 0.00 C ATOM 907 CG1 VAL A 58 -11.037 9.074 -24.553 1.00 0.00 C ATOM 908 CG2 VAL A 58 -11.563 6.722 -23.886 1.00 0.00 C ATOM 0 H VAL A 58 -10.859 6.442 -21.563 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.065 7.870 -23.261 1.00 0.00 H new ATOM 0 HB VAL A 58 -12.003 8.482 -22.722 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -11.969 9.122 -25.116 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.783 10.068 -24.185 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -10.239 8.712 -25.202 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -12.495 6.770 -24.449 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.766 6.358 -24.534 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -11.683 6.042 -23.042 1.00 0.00 H new ATOM 918 N GLU A 59 -10.446 9.660 -20.845 1.00 0.00 N ATOM 919 CA GLU A 59 -10.275 10.945 -20.108 1.00 0.00 C ATOM 920 C GLU A 59 -8.837 11.063 -19.599 1.00 0.00 C ATOM 921 O GLU A 59 -8.282 12.141 -19.523 1.00 0.00 O ATOM 922 CB GLU A 59 -11.240 10.987 -18.920 1.00 0.00 C ATOM 923 CG GLU A 59 -12.009 12.310 -18.933 1.00 0.00 C ATOM 924 CD GLU A 59 -13.157 12.222 -19.941 1.00 0.00 C ATOM 925 OE1 GLU A 59 -13.518 11.115 -20.302 1.00 0.00 O ATOM 926 OE2 GLU A 59 -13.654 13.265 -20.334 1.00 0.00 O ATOM 0 H GLU A 59 -11.189 9.055 -20.497 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.489 11.775 -20.781 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.936 10.149 -18.973 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.688 10.884 -17.986 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.400 12.526 -17.939 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.340 13.129 -19.198 1.00 0.00 H new ATOM 933 N ALA A 60 -8.229 9.964 -19.247 1.00 0.00 N ATOM 934 CA ALA A 60 -6.828 10.019 -18.740 1.00 0.00 C ATOM 935 C ALA A 60 -5.892 10.463 -19.866 1.00 0.00 C ATOM 936 O ALA A 60 -5.283 11.513 -19.803 1.00 0.00 O ATOM 937 CB ALA A 60 -6.410 8.634 -18.244 1.00 0.00 C ATOM 0 H ALA A 60 -8.640 9.032 -19.288 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.768 10.732 -17.918 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.386 8.674 -17.873 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.075 8.320 -17.440 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.471 7.920 -19.065 1.00 0.00 H new ATOM 943 N PHE A 61 -5.770 9.673 -20.896 1.00 0.00 N ATOM 944 CA PHE A 61 -4.871 10.050 -22.024 1.00 0.00 C ATOM 945 C PHE A 61 -5.211 11.465 -22.499 1.00 0.00 C ATOM 946 O PHE A 61 -4.337 12.246 -22.824 1.00 0.00 O ATOM 947 CB PHE A 61 -5.061 9.063 -23.177 1.00 0.00 C ATOM 948 CG PHE A 61 -4.636 9.712 -24.472 1.00 0.00 C ATOM 949 CD1 PHE A 61 -3.302 9.635 -24.889 1.00 0.00 C ATOM 950 CD2 PHE A 61 -5.578 10.390 -25.256 1.00 0.00 C ATOM 951 CE1 PHE A 61 -2.909 10.237 -26.091 1.00 0.00 C ATOM 952 CE2 PHE A 61 -5.184 10.991 -26.457 1.00 0.00 C ATOM 953 CZ PHE A 61 -3.851 10.914 -26.875 1.00 0.00 C ATOM 0 H PHE A 61 -6.254 8.782 -21.006 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.834 10.021 -21.688 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.473 8.163 -22.999 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.105 8.755 -23.238 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.576 9.112 -24.284 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.607 10.449 -24.934 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.880 10.179 -26.413 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.910 11.515 -27.062 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.549 11.377 -27.803 1.00 0.00 H new ATOM 963 N LYS A 62 -6.470 11.802 -22.544 1.00 0.00 N ATOM 964 CA LYS A 62 -6.860 13.167 -23.002 1.00 0.00 C ATOM 965 C LYS A 62 -6.108 14.215 -22.179 1.00 0.00 C ATOM 966 O LYS A 62 -5.443 15.079 -22.716 1.00 0.00 O ATOM 967 CB LYS A 62 -8.366 13.359 -22.818 1.00 0.00 C ATOM 968 CG LYS A 62 -8.755 14.774 -23.251 1.00 0.00 C ATOM 969 CD LYS A 62 -10.280 14.886 -23.344 1.00 0.00 C ATOM 970 CE LYS A 62 -10.786 14.114 -24.566 1.00 0.00 C ATOM 971 NZ LYS A 62 -9.849 14.309 -25.708 1.00 0.00 N ATOM 0 H LYS A 62 -7.246 11.193 -22.284 1.00 0.00 H new ATOM 0 HA LYS A 62 -6.607 13.281 -24.056 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -8.912 12.623 -23.408 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -8.640 13.198 -21.775 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.370 15.502 -22.536 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.304 15.006 -24.216 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -10.738 14.490 -22.438 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -10.573 15.933 -23.418 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.869 13.053 -24.329 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.783 14.459 -24.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.337 14.087 -26.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.526 15.297 -25.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.029 13.679 -25.596 1.00 0.00 H new ATOM 985 N MET A 63 -6.208 14.147 -20.880 1.00 0.00 N ATOM 986 CA MET A 63 -5.501 15.141 -20.024 1.00 0.00 C ATOM 987 C MET A 63 -4.029 15.212 -20.434 1.00 0.00 C ATOM 988 O MET A 63 -3.459 16.279 -20.555 1.00 0.00 O ATOM 989 CB MET A 63 -5.599 14.714 -18.557 1.00 0.00 C ATOM 990 CG MET A 63 -7.036 14.893 -18.067 1.00 0.00 C ATOM 991 SD MET A 63 -7.056 14.925 -16.257 1.00 0.00 S ATOM 992 CE MET A 63 -8.150 13.503 -16.017 1.00 0.00 C ATOM 0 H MET A 63 -6.749 13.446 -20.374 1.00 0.00 H new ATOM 0 HA MET A 63 -5.962 16.120 -20.150 1.00 0.00 H new ATOM 0 HB2 MET A 63 -5.294 13.673 -18.449 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.919 15.310 -17.948 1.00 0.00 H new ATOM 0 HG2 MET A 63 -7.454 15.819 -18.462 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.661 14.079 -18.434 1.00 0.00 H new ATOM 0 HE1 MET A 63 -8.303 13.337 -14.951 1.00 0.00 H new ATOM 0 HE2 MET A 63 -9.110 13.698 -16.495 1.00 0.00 H new ATOM 0 HE3 MET A 63 -7.697 12.616 -16.460 1.00 0.00 H new ATOM 1002 N GLY A 64 -3.409 14.084 -20.648 1.00 0.00 N ATOM 1003 CA GLY A 64 -1.974 14.086 -21.050 1.00 0.00 C ATOM 1004 C GLY A 64 -1.273 12.870 -20.441 1.00 0.00 C ATOM 1005 O GLY A 64 -0.088 12.894 -20.172 1.00 0.00 O ATOM 0 H GLY A 64 -3.834 13.161 -20.562 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.889 14.062 -22.136 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.492 15.004 -20.713 1.00 0.00 H new ATOM 1009 N PHE A 65 -1.995 11.806 -20.221 1.00 0.00 N ATOM 1010 CA PHE A 65 -1.372 10.589 -19.630 1.00 0.00 C ATOM 1011 C PHE A 65 -1.138 9.552 -20.730 1.00 0.00 C ATOM 1012 O PHE A 65 -1.617 9.690 -21.837 1.00 0.00 O ATOM 1013 CB PHE A 65 -2.306 10.002 -18.568 1.00 0.00 C ATOM 1014 CG PHE A 65 -2.148 10.767 -17.277 1.00 0.00 C ATOM 1015 CD1 PHE A 65 -2.851 11.962 -17.081 1.00 0.00 C ATOM 1016 CD2 PHE A 65 -1.298 10.282 -16.274 1.00 0.00 C ATOM 1017 CE1 PHE A 65 -2.705 12.671 -15.882 1.00 0.00 C ATOM 1018 CE2 PHE A 65 -1.153 10.991 -15.076 1.00 0.00 C ATOM 1019 CZ PHE A 65 -1.856 12.186 -14.881 1.00 0.00 C ATOM 0 H PHE A 65 -2.991 11.727 -20.425 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.420 10.855 -19.171 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.340 10.054 -18.909 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.076 8.949 -18.409 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.505 12.337 -17.854 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.755 9.361 -16.425 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.248 13.592 -15.730 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.499 10.616 -14.302 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.743 12.734 -13.957 1.00 0.00 H new ATOM 1029 N GLU A 66 -0.408 8.513 -20.433 1.00 0.00 N ATOM 1030 CA GLU A 66 -0.149 7.469 -21.463 1.00 0.00 C ATOM 1031 C GLU A 66 -0.722 6.133 -20.985 1.00 0.00 C ATOM 1032 O GLU A 66 -0.027 5.317 -20.413 1.00 0.00 O ATOM 1033 CB GLU A 66 1.359 7.329 -21.685 1.00 0.00 C ATOM 1034 CG GLU A 66 1.726 7.873 -23.067 1.00 0.00 C ATOM 1035 CD GLU A 66 3.143 7.427 -23.434 1.00 0.00 C ATOM 1036 OE1 GLU A 66 4.073 8.140 -23.098 1.00 0.00 O ATOM 1037 OE2 GLU A 66 3.272 6.379 -24.044 1.00 0.00 O ATOM 0 H GLU A 66 0.020 8.342 -19.523 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.626 7.756 -22.400 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.903 7.873 -20.913 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.653 6.283 -21.605 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.016 7.512 -23.811 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.664 8.961 -23.069 1.00 0.00 H new ATOM 1044 N VAL A 67 -1.985 5.905 -21.215 1.00 0.00 N ATOM 1045 CA VAL A 67 -2.603 4.624 -20.772 1.00 0.00 C ATOM 1046 C VAL A 67 -1.875 3.449 -21.429 1.00 0.00 C ATOM 1047 O VAL A 67 -1.483 3.512 -22.578 1.00 0.00 O ATOM 1048 CB VAL A 67 -4.076 4.602 -21.177 1.00 0.00 C ATOM 1049 CG1 VAL A 67 -4.193 4.818 -22.687 1.00 0.00 C ATOM 1050 CG2 VAL A 67 -4.688 3.249 -20.807 1.00 0.00 C ATOM 0 H VAL A 67 -2.616 6.550 -21.690 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.523 4.539 -19.688 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.608 5.396 -20.653 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.244 4.802 -22.976 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.758 5.782 -22.951 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.661 4.024 -23.210 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.739 3.234 -21.096 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.156 2.454 -21.330 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.605 3.094 -19.731 1.00 0.00 H new ATOM 1060 N LEU A 68 -1.692 2.377 -20.709 1.00 0.00 N ATOM 1061 CA LEU A 68 -0.992 1.197 -21.289 1.00 0.00 C ATOM 1062 C LEU A 68 -1.930 -0.011 -21.265 1.00 0.00 C ATOM 1063 O LEU A 68 -2.773 -0.136 -20.400 1.00 0.00 O ATOM 1064 CB LEU A 68 0.259 0.889 -20.462 1.00 0.00 C ATOM 1065 CG LEU A 68 1.369 0.378 -21.382 1.00 0.00 C ATOM 1066 CD1 LEU A 68 2.281 1.542 -21.776 1.00 0.00 C ATOM 1067 CD2 LEU A 68 2.189 -0.685 -20.648 1.00 0.00 C ATOM 0 H LEU A 68 -1.998 2.267 -19.742 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.703 1.413 -22.317 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.591 1.785 -19.938 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.030 0.142 -19.702 1.00 0.00 H new ATOM 0 HG LEU A 68 0.927 -0.057 -22.278 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.072 1.178 -22.432 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.698 2.301 -22.297 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.724 1.977 -20.880 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.980 -1.050 -21.303 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.631 -0.249 -19.752 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.540 -1.514 -20.366 1.00 0.00 H new ATOM 1079 N GLU A 69 -1.794 -0.899 -22.209 1.00 0.00 N ATOM 1080 CA GLU A 69 -2.681 -2.095 -22.238 1.00 0.00 C ATOM 1081 C GLU A 69 -2.713 -2.743 -20.852 1.00 0.00 C ATOM 1082 O GLU A 69 -1.811 -2.571 -20.055 1.00 0.00 O ATOM 1083 CB GLU A 69 -2.151 -3.101 -23.261 1.00 0.00 C ATOM 1084 CG GLU A 69 -1.989 -2.413 -24.617 1.00 0.00 C ATOM 1085 CD GLU A 69 -3.293 -2.530 -25.407 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -3.856 -3.613 -25.426 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -3.707 -1.537 -25.981 1.00 0.00 O ATOM 0 H GLU A 69 -1.107 -0.849 -22.962 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.689 -1.791 -22.519 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.194 -3.503 -22.929 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.838 -3.943 -23.348 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.730 -1.364 -24.476 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.172 -2.871 -25.174 1.00 0.00 H new ATOM 1094 N ALA A 70 -3.745 -3.484 -20.558 1.00 0.00 N ATOM 1095 CA ALA A 70 -3.837 -4.141 -19.223 1.00 0.00 C ATOM 1096 C ALA A 70 -3.630 -5.649 -19.376 1.00 0.00 C ATOM 1097 O ALA A 70 -3.437 -6.153 -20.465 1.00 0.00 O ATOM 1098 CB ALA A 70 -5.219 -3.878 -18.622 1.00 0.00 C ATOM 0 H ALA A 70 -4.530 -3.663 -21.185 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.068 -3.735 -18.567 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.288 -4.358 -17.646 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.369 -2.804 -18.510 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.986 -4.285 -19.281 1.00 0.00 H new ATOM 1104 N GLU A 71 -3.670 -6.372 -18.291 1.00 0.00 N ATOM 1105 CA GLU A 71 -3.481 -7.848 -18.369 1.00 0.00 C ATOM 1106 C GLU A 71 -4.322 -8.527 -17.286 1.00 0.00 C ATOM 1107 O GLU A 71 -4.317 -8.124 -16.140 1.00 0.00 O ATOM 1108 CB GLU A 71 -2.004 -8.188 -18.154 1.00 0.00 C ATOM 1109 CG GLU A 71 -1.436 -7.321 -17.028 1.00 0.00 C ATOM 1110 CD GLU A 71 -0.413 -8.130 -16.229 1.00 0.00 C ATOM 1111 OE1 GLU A 71 0.456 -8.724 -16.845 1.00 0.00 O ATOM 1112 OE2 GLU A 71 -0.515 -8.141 -15.013 1.00 0.00 O ATOM 0 H GLU A 71 -3.826 -6.004 -17.353 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.795 -8.202 -19.351 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.896 -9.243 -17.904 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.444 -8.020 -19.074 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.966 -6.429 -17.443 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.240 -6.983 -16.374 1.00 0.00 H new ATOM 1119 N GLU A 72 -5.045 -9.552 -17.640 1.00 0.00 N ATOM 1120 CA GLU A 72 -5.887 -10.255 -16.632 1.00 0.00 C ATOM 1121 C GLU A 72 -5.043 -10.579 -15.397 1.00 0.00 C ATOM 1122 O GLU A 72 -4.061 -11.291 -15.474 1.00 0.00 O ATOM 1123 CB GLU A 72 -6.425 -11.555 -17.236 1.00 0.00 C ATOM 1124 CG GLU A 72 -7.932 -11.426 -17.468 1.00 0.00 C ATOM 1125 CD GLU A 72 -8.658 -11.425 -16.121 1.00 0.00 C ATOM 1126 OE1 GLU A 72 -7.985 -11.502 -15.107 1.00 0.00 O ATOM 1127 OE2 GLU A 72 -9.876 -11.348 -16.127 1.00 0.00 O ATOM 0 H GLU A 72 -5.090 -9.934 -18.585 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.720 -9.614 -16.344 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.918 -11.768 -18.177 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.220 -12.391 -16.568 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.150 -10.506 -18.011 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.288 -12.252 -18.084 1.00 0.00 H new ATOM 1134 N THR A 73 -5.418 -10.064 -14.258 1.00 0.00 N ATOM 1135 CA THR A 73 -4.637 -10.347 -13.020 1.00 0.00 C ATOM 1136 C THR A 73 -5.578 -10.371 -11.816 1.00 0.00 C ATOM 1137 O THR A 73 -6.784 -10.354 -11.956 1.00 0.00 O ATOM 1138 CB THR A 73 -3.582 -9.257 -12.817 1.00 0.00 C ATOM 1139 OG1 THR A 73 -2.842 -9.532 -11.636 1.00 0.00 O ATOM 1140 CG2 THR A 73 -4.267 -7.896 -12.684 1.00 0.00 C ATOM 0 H THR A 73 -6.230 -9.460 -14.131 1.00 0.00 H new ATOM 0 HA THR A 73 -4.145 -11.315 -13.118 1.00 0.00 H new ATOM 0 HB THR A 73 -2.909 -9.240 -13.675 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.165 -8.836 -11.505 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.513 -7.122 -12.540 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.835 -7.685 -13.590 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.941 -7.910 -11.828 1.00 0.00 H new ATOM 1223 N LYS A 80 -10.179 -11.770 -10.242 1.00 0.00 N ATOM 1224 CA LYS A 80 -9.680 -11.666 -11.641 1.00 0.00 C ATOM 1225 C LYS A 80 -10.311 -10.444 -12.314 1.00 0.00 C ATOM 1226 O LYS A 80 -11.518 -10.318 -12.385 1.00 0.00 O ATOM 1227 CB LYS A 80 -10.062 -12.930 -12.414 1.00 0.00 C ATOM 1228 CG LYS A 80 -8.800 -13.731 -12.742 1.00 0.00 C ATOM 1229 CD LYS A 80 -9.177 -14.972 -13.553 1.00 0.00 C ATOM 1230 CE LYS A 80 -8.153 -15.178 -14.671 1.00 0.00 C ATOM 1231 NZ LYS A 80 -8.633 -16.248 -15.590 1.00 0.00 N ATOM 0 HA LYS A 80 -8.595 -11.560 -11.635 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.747 -13.537 -11.822 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.585 -12.663 -13.332 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.101 -13.113 -13.307 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.294 -14.025 -11.822 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.206 -15.848 -12.905 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.175 -14.855 -13.976 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.007 -14.249 -15.222 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.187 -15.453 -14.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.938 -16.390 -16.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -8.751 -17.135 -15.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -9.546 -15.968 -16.002 1.00 0.00 H new ATOM 1245 N LEU A 81 -9.507 -9.542 -12.806 1.00 0.00 N ATOM 1246 CA LEU A 81 -10.066 -8.330 -13.469 1.00 0.00 C ATOM 1247 C LEU A 81 -9.038 -7.763 -14.450 1.00 0.00 C ATOM 1248 O LEU A 81 -8.072 -8.414 -14.797 1.00 0.00 O ATOM 1249 CB LEU A 81 -10.394 -7.276 -12.408 1.00 0.00 C ATOM 1250 CG LEU A 81 -9.601 -7.572 -11.134 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -8.103 -7.462 -11.427 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -9.983 -6.560 -10.048 1.00 0.00 C ATOM 0 H LEU A 81 -8.489 -9.592 -12.778 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.973 -8.598 -14.010 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.148 -6.281 -12.780 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.463 -7.281 -12.193 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.831 -8.580 -10.790 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.538 -7.673 -10.519 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.830 -8.181 -12.200 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.873 -6.454 -11.771 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.418 -6.770 -9.140 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.753 -5.552 -10.393 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -11.050 -6.637 -9.838 1.00 0.00 H new ATOM 1264 N LEU A 82 -9.237 -6.554 -14.903 1.00 0.00 N ATOM 1265 CA LEU A 82 -8.270 -5.950 -15.862 1.00 0.00 C ATOM 1266 C LEU A 82 -7.548 -4.780 -15.192 1.00 0.00 C ATOM 1267 O LEU A 82 -8.119 -4.056 -14.398 1.00 0.00 O ATOM 1268 CB LEU A 82 -9.020 -5.444 -17.096 1.00 0.00 C ATOM 1269 CG LEU A 82 -9.959 -6.537 -17.611 1.00 0.00 C ATOM 1270 CD1 LEU A 82 -11.411 -6.093 -17.423 1.00 0.00 C ATOM 1271 CD2 LEU A 82 -9.692 -6.781 -19.098 1.00 0.00 C ATOM 0 H LEU A 82 -10.027 -5.960 -14.650 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.542 -6.703 -16.162 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.590 -4.549 -16.846 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.311 -5.163 -17.875 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.784 -7.457 -17.053 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.080 -6.871 -17.790 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.604 -5.918 -16.365 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -11.585 -5.173 -17.981 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -10.361 -7.560 -19.465 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.867 -5.860 -19.655 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.658 -7.097 -19.235 1.00 0.00 H new ATOM 1283 N CYS A 83 -6.295 -4.587 -15.509 1.00 0.00 N ATOM 1284 CA CYS A 83 -5.534 -3.464 -14.894 1.00 0.00 C ATOM 1285 C CYS A 83 -4.649 -2.804 -15.953 1.00 0.00 C ATOM 1286 O CYS A 83 -3.742 -3.412 -16.487 1.00 0.00 O ATOM 1287 CB CYS A 83 -4.660 -4.000 -13.758 1.00 0.00 C ATOM 1288 SG CYS A 83 -3.221 -2.925 -13.541 1.00 0.00 S ATOM 0 H CYS A 83 -5.767 -5.159 -16.168 1.00 0.00 H new ATOM 0 HA CYS A 83 -6.233 -2.728 -14.497 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -5.235 -4.046 -12.833 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -4.337 -5.016 -13.983 1.00 0.00 H new ATOM 0 HG CYS A 83 -2.481 -3.381 -12.574 1.00 0.00 H new ATOM 1294 N PHE A 84 -4.906 -1.561 -16.259 1.00 0.00 N ATOM 1295 CA PHE A 84 -4.080 -0.859 -17.282 1.00 0.00 C ATOM 1296 C PHE A 84 -3.049 0.024 -16.578 1.00 0.00 C ATOM 1297 O PHE A 84 -3.105 0.225 -15.382 1.00 0.00 O ATOM 1298 CB PHE A 84 -4.982 0.005 -18.167 1.00 0.00 C ATOM 1299 CG PHE A 84 -6.002 0.718 -17.313 1.00 0.00 C ATOM 1300 CD1 PHE A 84 -7.010 -0.011 -16.670 1.00 0.00 C ATOM 1301 CD2 PHE A 84 -5.942 2.109 -17.165 1.00 0.00 C ATOM 1302 CE1 PHE A 84 -7.957 0.651 -15.880 1.00 0.00 C ATOM 1303 CE2 PHE A 84 -6.889 2.770 -16.375 1.00 0.00 C ATOM 1304 CZ PHE A 84 -7.897 2.042 -15.733 1.00 0.00 C ATOM 0 H PHE A 84 -5.652 -1.002 -15.845 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.567 -1.593 -17.904 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.382 0.731 -18.715 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.485 -0.617 -18.907 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -7.057 -1.084 -16.784 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.165 2.672 -17.661 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.734 0.089 -15.384 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -6.842 3.843 -16.261 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.628 2.553 -15.124 1.00 0.00 H new ATOM 1314 N ASP A 85 -2.103 0.547 -17.309 1.00 0.00 N ATOM 1315 CA ASP A 85 -1.068 1.409 -16.673 1.00 0.00 C ATOM 1316 C ASP A 85 -1.039 2.776 -17.359 1.00 0.00 C ATOM 1317 O ASP A 85 -1.189 2.884 -18.559 1.00 0.00 O ATOM 1318 CB ASP A 85 0.303 0.743 -16.812 1.00 0.00 C ATOM 1319 CG ASP A 85 0.127 -0.772 -16.917 1.00 0.00 C ATOM 1320 OD1 ASP A 85 -0.868 -1.271 -16.415 1.00 0.00 O ATOM 1321 OD2 ASP A 85 0.990 -1.410 -17.498 1.00 0.00 O ATOM 0 H ASP A 85 -2.002 0.415 -18.315 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.308 1.540 -15.618 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.815 1.122 -17.696 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.927 0.988 -15.953 1.00 0.00 H new ATOM 1326 N ALA A 86 -0.843 3.822 -16.604 1.00 0.00 N ATOM 1327 CA ALA A 86 -0.798 5.182 -17.209 1.00 0.00 C ATOM 1328 C ALA A 86 0.538 5.841 -16.863 1.00 0.00 C ATOM 1329 O ALA A 86 0.962 5.844 -15.724 1.00 0.00 O ATOM 1330 CB ALA A 86 -1.945 6.027 -16.653 1.00 0.00 C ATOM 0 H ALA A 86 -0.712 3.793 -15.593 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.899 5.106 -18.292 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.912 7.022 -17.096 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.896 5.554 -16.895 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.846 6.108 -15.571 1.00 0.00 H new ATOM 1336 N THR A 87 1.209 6.396 -17.834 1.00 0.00 N ATOM 1337 CA THR A 87 2.519 7.047 -17.552 1.00 0.00 C ATOM 1338 C THR A 87 2.396 8.559 -17.745 1.00 0.00 C ATOM 1339 O THR A 87 1.649 9.032 -18.578 1.00 0.00 O ATOM 1340 CB THR A 87 3.580 6.497 -18.508 1.00 0.00 C ATOM 1341 OG1 THR A 87 2.942 5.849 -19.599 1.00 0.00 O ATOM 1342 CG2 THR A 87 4.467 5.496 -17.765 1.00 0.00 C ATOM 0 H THR A 87 0.908 6.427 -18.808 1.00 0.00 H new ATOM 0 HA THR A 87 2.811 6.836 -16.523 1.00 0.00 H new ATOM 0 HB THR A 87 4.194 7.317 -18.881 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.620 5.498 -20.213 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.223 5.104 -18.446 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.956 5.994 -16.928 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.855 4.675 -17.391 1.00 0.00 H new ATOM 1350 N MET A 88 3.128 9.321 -16.979 1.00 0.00 N ATOM 1351 CA MET A 88 3.060 10.804 -17.115 1.00 0.00 C ATOM 1352 C MET A 88 4.448 11.395 -16.860 1.00 0.00 C ATOM 1353 O MET A 88 5.263 10.812 -16.176 1.00 0.00 O ATOM 1354 CB MET A 88 2.069 11.363 -16.091 1.00 0.00 C ATOM 1355 CG MET A 88 1.658 12.780 -16.496 1.00 0.00 C ATOM 1356 SD MET A 88 0.615 13.498 -15.202 1.00 0.00 S ATOM 1357 CE MET A 88 -0.126 14.809 -16.205 1.00 0.00 C ATOM 0 H MET A 88 3.771 8.980 -16.264 1.00 0.00 H new ATOM 0 HA MET A 88 2.729 11.068 -18.119 1.00 0.00 H new ATOM 0 HB2 MET A 88 1.190 10.721 -16.033 1.00 0.00 H new ATOM 0 HB3 MET A 88 2.522 11.374 -15.100 1.00 0.00 H new ATOM 0 HG2 MET A 88 2.543 13.397 -16.649 1.00 0.00 H new ATOM 0 HG3 MET A 88 1.118 12.757 -17.443 1.00 0.00 H new ATOM 0 HE1 MET A 88 -0.844 15.366 -15.603 1.00 0.00 H new ATOM 0 HE2 MET A 88 0.655 15.484 -16.555 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.635 14.368 -17.062 1.00 0.00 H new ATOM 1367 N GLN A 89 4.728 12.546 -17.404 1.00 0.00 N ATOM 1368 CA GLN A 89 6.067 13.162 -17.186 1.00 0.00 C ATOM 1369 C GLN A 89 5.933 14.346 -16.226 1.00 0.00 C ATOM 1370 O GLN A 89 5.197 15.280 -16.476 1.00 0.00 O ATOM 1371 CB GLN A 89 6.628 13.652 -18.523 1.00 0.00 C ATOM 1372 CG GLN A 89 6.113 12.757 -19.653 1.00 0.00 C ATOM 1373 CD GLN A 89 6.550 11.313 -19.402 1.00 0.00 C ATOM 1374 OE1 GLN A 89 7.243 11.033 -18.443 1.00 0.00 O ATOM 1375 NE2 GLN A 89 6.173 10.376 -20.228 1.00 0.00 N ATOM 0 H GLN A 89 4.090 13.086 -17.989 1.00 0.00 H new ATOM 0 HA GLN A 89 6.742 12.421 -16.758 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.328 14.685 -18.698 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.718 13.636 -18.500 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.026 12.814 -19.709 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.501 13.104 -20.611 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.592 10.609 -21.033 1.00 0.00 H new ATOM 0 HE22 GLN A 89 6.460 9.410 -20.069 1.00 0.00 H new ATOM 1384 N SER A 90 6.639 14.314 -15.128 1.00 0.00 N ATOM 1385 CA SER A 90 6.552 15.438 -14.153 1.00 0.00 C ATOM 1386 C SER A 90 7.948 15.758 -13.618 1.00 0.00 C ATOM 1387 O SER A 90 8.884 15.010 -13.813 1.00 0.00 O ATOM 1388 CB SER A 90 5.641 15.038 -12.991 1.00 0.00 C ATOM 1389 OG SER A 90 6.320 14.101 -12.165 1.00 0.00 O ATOM 0 H SER A 90 7.272 13.559 -14.865 1.00 0.00 H new ATOM 0 HA SER A 90 6.142 16.317 -14.650 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.364 15.918 -12.411 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.717 14.603 -13.371 1.00 0.00 H new ATOM 0 HG SER A 90 5.740 13.843 -11.418 1.00 0.00 H new ATOM 1395 N ALA A 91 8.097 16.864 -12.940 1.00 0.00 N ATOM 1396 CA ALA A 91 9.434 17.228 -12.393 1.00 0.00 C ATOM 1397 C ALA A 91 9.594 16.621 -10.997 1.00 0.00 C ATOM 1398 O ALA A 91 10.072 17.258 -10.080 1.00 0.00 O ATOM 1399 CB ALA A 91 9.553 18.751 -12.310 1.00 0.00 C ATOM 0 H ALA A 91 7.351 17.530 -12.742 1.00 0.00 H new ATOM 0 HA ALA A 91 10.215 16.841 -13.047 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.531 19.018 -11.910 1.00 0.00 H new ATOM 0 HB2 ALA A 91 9.439 19.180 -13.306 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.774 19.142 -11.655 1.00 0.00 H new ATOM 1405 N LEU A 92 9.196 15.389 -10.828 1.00 0.00 N ATOM 1406 CA LEU A 92 9.325 14.742 -9.493 1.00 0.00 C ATOM 1407 C LEU A 92 9.058 15.775 -8.397 1.00 0.00 C ATOM 1408 O LEU A 92 9.970 16.325 -7.812 1.00 0.00 O ATOM 1409 CB LEU A 92 10.740 14.183 -9.331 1.00 0.00 C ATOM 1410 CG LEU A 92 10.743 13.108 -8.244 1.00 0.00 C ATOM 1411 CD1 LEU A 92 10.303 11.771 -8.845 1.00 0.00 C ATOM 1412 CD2 LEU A 92 12.155 12.966 -7.670 1.00 0.00 C ATOM 0 H LEU A 92 8.788 14.804 -11.557 1.00 0.00 H new ATOM 0 HA LEU A 92 8.602 13.931 -9.412 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.086 13.762 -10.275 1.00 0.00 H new ATOM 0 HB3 LEU A 92 11.431 14.984 -9.067 1.00 0.00 H new ATOM 0 HG LEU A 92 10.053 13.395 -7.450 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.305 11.005 -8.069 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.298 11.869 -9.255 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.992 11.485 -9.640 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.157 12.200 -6.895 1.00 0.00 H new ATOM 0 HD22 LEU A 92 12.844 12.680 -8.465 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.471 13.917 -7.241 1.00 0.00 H new ATOM 1424 N ASP A 93 7.812 16.044 -8.113 1.00 0.00 N ATOM 1425 CA ASP A 93 7.487 17.041 -7.054 1.00 0.00 C ATOM 1426 C ASP A 93 6.317 16.525 -6.213 1.00 0.00 C ATOM 1427 O ASP A 93 5.445 15.834 -6.703 1.00 0.00 O ATOM 1428 CB ASP A 93 7.102 18.372 -7.706 1.00 0.00 C ATOM 1429 CG ASP A 93 8.180 19.417 -7.411 1.00 0.00 C ATOM 1430 OD1 ASP A 93 8.165 19.964 -6.320 1.00 0.00 O ATOM 1431 OD2 ASP A 93 9.002 19.654 -8.281 1.00 0.00 O ATOM 0 H ASP A 93 7.006 15.616 -8.569 1.00 0.00 H new ATOM 0 HA ASP A 93 8.357 17.190 -6.414 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.991 18.243 -8.783 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.139 18.710 -7.325 1.00 0.00 H new ATOM 1436 N ALA A 94 6.289 16.856 -4.950 1.00 0.00 N ATOM 1437 CA ALA A 94 5.175 16.384 -4.080 1.00 0.00 C ATOM 1438 C ALA A 94 3.924 17.221 -4.355 1.00 0.00 C ATOM 1439 O ALA A 94 2.857 16.695 -4.607 1.00 0.00 O ATOM 1440 CB ALA A 94 5.577 16.534 -2.612 1.00 0.00 C ATOM 0 H ALA A 94 6.989 17.433 -4.484 1.00 0.00 H new ATOM 0 HA ALA A 94 4.965 15.336 -4.294 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.763 16.189 -1.975 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.468 15.938 -2.416 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.787 17.582 -2.397 1.00 0.00 H new ATOM 1446 N LYS A 95 4.044 18.518 -4.311 1.00 0.00 N ATOM 1447 CA LYS A 95 2.861 19.386 -4.572 1.00 0.00 C ATOM 1448 C LYS A 95 2.242 19.008 -5.919 1.00 0.00 C ATOM 1449 O LYS A 95 1.070 18.699 -6.012 1.00 0.00 O ATOM 1450 CB LYS A 95 3.303 20.850 -4.606 1.00 0.00 C ATOM 1451 CG LYS A 95 2.072 21.756 -4.648 1.00 0.00 C ATOM 1452 CD LYS A 95 2.412 23.109 -4.017 1.00 0.00 C ATOM 1453 CE LYS A 95 1.223 24.058 -4.172 1.00 0.00 C ATOM 1454 NZ LYS A 95 1.264 24.688 -5.521 1.00 0.00 N ATOM 0 H LYS A 95 4.910 19.016 -4.106 1.00 0.00 H new ATOM 0 HA LYS A 95 2.124 19.247 -3.781 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.906 21.079 -3.727 1.00 0.00 H new ATOM 0 HB3 LYS A 95 3.930 21.031 -5.479 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.745 21.895 -5.678 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.246 21.290 -4.111 1.00 0.00 H new ATOM 0 HD2 LYS A 95 2.652 22.980 -2.962 1.00 0.00 H new ATOM 0 HD3 LYS A 95 3.295 23.534 -4.495 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.289 23.512 -4.042 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.254 24.826 -3.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.456 25.334 -5.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 2.150 25.222 -5.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.215 23.949 -6.251 1.00 0.00 H new ATOM 1468 N LEU A 96 3.023 19.030 -6.964 1.00 0.00 N ATOM 1469 CA LEU A 96 2.484 18.671 -8.305 1.00 0.00 C ATOM 1470 C LEU A 96 1.938 17.243 -8.270 1.00 0.00 C ATOM 1471 O LEU A 96 0.834 16.979 -8.701 1.00 0.00 O ATOM 1472 CB LEU A 96 3.604 18.769 -9.344 1.00 0.00 C ATOM 1473 CG LEU A 96 3.946 20.240 -9.588 1.00 0.00 C ATOM 1474 CD1 LEU A 96 5.432 20.373 -9.925 1.00 0.00 C ATOM 1475 CD2 LEU A 96 3.109 20.768 -10.756 1.00 0.00 C ATOM 0 H LEU A 96 4.011 19.281 -6.947 1.00 0.00 H new ATOM 0 HA LEU A 96 1.680 19.357 -8.572 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.486 18.233 -8.995 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.292 18.298 -10.276 1.00 0.00 H new ATOM 0 HG LEU A 96 3.727 20.817 -8.690 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.673 21.422 -10.098 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.029 19.996 -9.094 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.655 19.796 -10.823 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.351 21.816 -10.932 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.330 20.189 -11.653 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.050 20.675 -10.516 1.00 0.00 H new ATOM 1487 N ILE A 97 2.702 16.318 -7.756 1.00 0.00 N ATOM 1488 CA ILE A 97 2.225 14.908 -7.693 1.00 0.00 C ATOM 1489 C ILE A 97 0.886 14.854 -6.952 1.00 0.00 C ATOM 1490 O ILE A 97 0.068 13.990 -7.195 1.00 0.00 O ATOM 1491 CB ILE A 97 3.254 14.055 -6.948 1.00 0.00 C ATOM 1492 CG1 ILE A 97 4.380 13.665 -7.907 1.00 0.00 C ATOM 1493 CG2 ILE A 97 2.579 12.791 -6.412 1.00 0.00 C ATOM 1494 CD1 ILE A 97 5.510 12.992 -7.126 1.00 0.00 C ATOM 0 H ILE A 97 3.635 16.478 -7.377 1.00 0.00 H new ATOM 0 HA ILE A 97 2.096 14.523 -8.704 1.00 0.00 H new ATOM 0 HB ILE A 97 3.666 14.626 -6.116 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.001 12.989 -8.673 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.756 14.550 -8.421 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.313 12.184 -5.881 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.776 13.069 -5.729 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.167 12.218 -7.243 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.311 12.715 -7.811 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.896 13.683 -6.377 1.00 0.00 H new ATOM 0 HD13 ILE A 97 5.129 12.098 -6.633 1.00 0.00 H new ATOM 1506 N ASP A 98 0.658 15.769 -6.051 1.00 0.00 N ATOM 1507 CA ASP A 98 -0.627 15.768 -5.295 1.00 0.00 C ATOM 1508 C ASP A 98 -1.777 16.115 -6.243 1.00 0.00 C ATOM 1509 O ASP A 98 -2.772 15.421 -6.309 1.00 0.00 O ATOM 1510 CB ASP A 98 -0.560 16.804 -4.171 1.00 0.00 C ATOM 1511 CG ASP A 98 -1.340 16.296 -2.958 1.00 0.00 C ATOM 1512 OD1 ASP A 98 -1.995 15.274 -3.085 1.00 0.00 O ATOM 1513 OD2 ASP A 98 -1.271 16.937 -1.922 1.00 0.00 O ATOM 0 H ASP A 98 1.306 16.518 -5.805 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.795 14.780 -4.867 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.478 16.991 -3.896 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -0.975 17.753 -4.512 1.00 0.00 H new ATOM 1518 N GLU A 99 -1.650 17.188 -6.975 1.00 0.00 N ATOM 1519 CA GLU A 99 -2.737 17.582 -7.915 1.00 0.00 C ATOM 1520 C GLU A 99 -3.044 16.420 -8.863 1.00 0.00 C ATOM 1521 O GLU A 99 -4.173 16.216 -9.264 1.00 0.00 O ATOM 1522 CB GLU A 99 -2.287 18.797 -8.731 1.00 0.00 C ATOM 1523 CG GLU A 99 -1.574 19.792 -7.814 1.00 0.00 C ATOM 1524 CD GLU A 99 -1.245 21.063 -8.601 1.00 0.00 C ATOM 1525 OE1 GLU A 99 -1.961 21.354 -9.544 1.00 0.00 O ATOM 1526 OE2 GLU A 99 -0.282 21.723 -8.245 1.00 0.00 O ATOM 0 H GLU A 99 -0.841 17.809 -6.963 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.633 17.833 -7.347 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -1.619 18.483 -9.533 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -3.148 19.272 -9.201 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -2.206 20.034 -6.960 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -0.660 19.349 -7.419 1.00 0.00 H new ATOM 1533 N GLN A 100 -2.049 15.659 -9.227 1.00 0.00 N ATOM 1534 CA GLN A 100 -2.286 14.514 -10.153 1.00 0.00 C ATOM 1535 C GLN A 100 -3.080 13.423 -9.430 1.00 0.00 C ATOM 1536 O GLN A 100 -4.230 13.175 -9.734 1.00 0.00 O ATOM 1537 CB GLN A 100 -0.942 13.946 -10.614 1.00 0.00 C ATOM 1538 CG GLN A 100 -0.387 14.804 -11.752 1.00 0.00 C ATOM 1539 CD GLN A 100 1.084 14.453 -11.985 1.00 0.00 C ATOM 1540 OE1 GLN A 100 1.791 15.171 -12.664 1.00 0.00 O ATOM 1541 NE2 GLN A 100 1.578 13.371 -11.447 1.00 0.00 N ATOM 0 H GLN A 100 -1.083 15.780 -8.924 1.00 0.00 H new ATOM 0 HA GLN A 100 -2.852 14.859 -11.018 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.238 13.928 -9.782 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.066 12.916 -10.949 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.961 14.634 -12.663 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -0.485 15.861 -11.506 1.00 0.00 H new ATOM 0 HE21 GLN A 100 0.985 12.768 -10.877 1.00 0.00 H new ATOM 0 HE22 GLN A 100 2.557 13.128 -11.597 1.00 0.00 H new ATOM 1550 N VAL A 101 -2.475 12.770 -8.476 1.00 0.00 N ATOM 1551 CA VAL A 101 -3.194 11.693 -7.737 1.00 0.00 C ATOM 1552 C VAL A 101 -4.617 12.153 -7.414 1.00 0.00 C ATOM 1553 O VAL A 101 -5.570 11.418 -7.579 1.00 0.00 O ATOM 1554 CB VAL A 101 -2.450 11.384 -6.437 1.00 0.00 C ATOM 1555 CG1 VAL A 101 -3.303 10.458 -5.569 1.00 0.00 C ATOM 1556 CG2 VAL A 101 -1.123 10.696 -6.762 1.00 0.00 C ATOM 0 H VAL A 101 -1.514 12.935 -8.176 1.00 0.00 H new ATOM 0 HA VAL A 101 -3.236 10.796 -8.355 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.258 12.312 -5.899 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.773 10.238 -4.642 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.250 10.946 -5.338 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.495 9.530 -6.107 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.591 10.475 -5.836 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.317 9.768 -7.300 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.514 11.354 -7.382 1.00 0.00 H new ATOM 1566 N GLU A 102 -4.770 13.363 -6.950 1.00 0.00 N ATOM 1567 CA GLU A 102 -6.133 13.862 -6.616 1.00 0.00 C ATOM 1568 C GLU A 102 -7.037 13.736 -7.844 1.00 0.00 C ATOM 1569 O GLU A 102 -8.162 13.283 -7.754 1.00 0.00 O ATOM 1570 CB GLU A 102 -6.050 15.331 -6.191 1.00 0.00 C ATOM 1571 CG GLU A 102 -6.994 15.579 -5.011 1.00 0.00 C ATOM 1572 CD GLU A 102 -6.675 16.935 -4.380 1.00 0.00 C ATOM 1573 OE1 GLU A 102 -5.528 17.346 -4.451 1.00 0.00 O ATOM 1574 OE2 GLU A 102 -7.584 17.542 -3.836 1.00 0.00 O ATOM 0 H GLU A 102 -4.012 14.026 -6.788 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.546 13.271 -5.799 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.027 15.581 -5.910 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.318 15.977 -7.027 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.030 15.558 -5.349 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -6.884 14.786 -4.271 1.00 0.00 H new ATOM 1581 N LYS A 103 -6.557 14.130 -8.991 1.00 0.00 N ATOM 1582 CA LYS A 103 -7.393 14.027 -10.221 1.00 0.00 C ATOM 1583 C LYS A 103 -7.740 12.559 -10.478 1.00 0.00 C ATOM 1584 O LYS A 103 -8.892 12.198 -10.612 1.00 0.00 O ATOM 1585 CB LYS A 103 -6.617 14.585 -11.415 1.00 0.00 C ATOM 1586 CG LYS A 103 -7.600 15.075 -12.480 1.00 0.00 C ATOM 1587 CD LYS A 103 -8.155 16.442 -12.072 1.00 0.00 C ATOM 1588 CE LYS A 103 -9.674 16.453 -12.258 1.00 0.00 C ATOM 1589 NZ LYS A 103 -10.229 17.732 -11.734 1.00 0.00 N ATOM 0 H LYS A 103 -5.624 14.518 -9.130 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.310 14.600 -10.086 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.975 15.405 -11.093 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -5.967 13.815 -11.832 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.100 15.147 -13.446 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -8.414 14.360 -12.595 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.904 16.653 -11.032 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.698 17.226 -12.676 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -9.923 16.342 -13.313 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -10.121 15.608 -11.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -11.261 17.740 -11.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -10.003 17.820 -10.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -9.811 18.530 -12.253 1.00 0.00 H new ATOM 1603 N LEU A 104 -6.751 11.708 -10.543 1.00 0.00 N ATOM 1604 CA LEU A 104 -7.030 10.264 -10.788 1.00 0.00 C ATOM 1605 C LEU A 104 -7.929 9.728 -9.672 1.00 0.00 C ATOM 1606 O LEU A 104 -8.555 8.695 -9.808 1.00 0.00 O ATOM 1607 CB LEU A 104 -5.711 9.486 -10.802 1.00 0.00 C ATOM 1608 CG LEU A 104 -4.812 10.021 -11.919 1.00 0.00 C ATOM 1609 CD1 LEU A 104 -3.406 9.437 -11.768 1.00 0.00 C ATOM 1610 CD2 LEU A 104 -5.391 9.616 -13.278 1.00 0.00 C ATOM 0 H LEU A 104 -5.766 11.949 -10.437 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.531 10.144 -11.749 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.209 9.584 -9.839 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.905 8.424 -10.954 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.761 11.108 -11.855 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.766 9.818 -12.564 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.994 9.726 -10.801 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.455 8.350 -11.831 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.751 9.997 -14.074 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.442 8.529 -13.342 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.392 10.034 -13.386 1.00 0.00 H new ATOM 1622 N VAL A 105 -7.999 10.424 -8.569 1.00 0.00 N ATOM 1623 CA VAL A 105 -8.858 9.960 -7.444 1.00 0.00 C ATOM 1624 C VAL A 105 -10.304 10.389 -7.699 1.00 0.00 C ATOM 1625 O VAL A 105 -11.165 9.576 -7.974 1.00 0.00 O ATOM 1626 CB VAL A 105 -8.361 10.582 -6.137 1.00 0.00 C ATOM 1627 CG1 VAL A 105 -9.519 10.681 -5.140 1.00 0.00 C ATOM 1628 CG2 VAL A 105 -7.255 9.706 -5.546 1.00 0.00 C ATOM 0 H VAL A 105 -7.497 11.295 -8.399 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.810 8.874 -7.370 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.970 11.580 -6.337 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.162 11.124 -4.210 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.308 11.305 -5.560 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.912 9.685 -4.939 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.900 10.147 -4.615 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -7.648 8.709 -5.348 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.429 9.637 -6.253 1.00 0.00 H new ATOM 1638 N ASN A 106 -10.580 11.663 -7.613 1.00 0.00 N ATOM 1639 CA ASN A 106 -11.970 12.141 -7.854 1.00 0.00 C ATOM 1640 C ASN A 106 -12.498 11.528 -9.152 1.00 0.00 C ATOM 1641 O ASN A 106 -13.671 11.241 -9.284 1.00 0.00 O ATOM 1642 CB ASN A 106 -11.972 13.666 -7.971 1.00 0.00 C ATOM 1643 CG ASN A 106 -12.197 14.284 -6.589 1.00 0.00 C ATOM 1644 OD1 ASN A 106 -13.322 14.449 -6.161 1.00 0.00 O ATOM 1645 ND2 ASN A 106 -11.167 14.634 -5.868 1.00 0.00 N ATOM 0 H ASN A 106 -9.903 12.392 -7.386 1.00 0.00 H new ATOM 0 HA ASN A 106 -12.609 11.841 -7.023 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -11.025 14.011 -8.385 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.756 13.988 -8.657 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -11.307 15.046 -4.945 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -10.222 14.496 -6.227 1.00 0.00 H new ATOM 1652 N LEU A 107 -11.637 11.322 -10.112 1.00 0.00 N ATOM 1653 CA LEU A 107 -12.086 10.724 -11.401 1.00 0.00 C ATOM 1654 C LEU A 107 -12.339 9.229 -11.205 1.00 0.00 C ATOM 1655 O LEU A 107 -13.443 8.749 -11.371 1.00 0.00 O ATOM 1656 CB LEU A 107 -11.000 10.926 -12.461 1.00 0.00 C ATOM 1657 CG LEU A 107 -11.458 10.317 -13.788 1.00 0.00 C ATOM 1658 CD1 LEU A 107 -11.884 11.433 -14.742 1.00 0.00 C ATOM 1659 CD2 LEU A 107 -10.303 9.530 -14.411 1.00 0.00 C ATOM 0 H LEU A 107 -10.642 11.542 -10.059 1.00 0.00 H new ATOM 0 HA LEU A 107 -13.006 11.208 -11.728 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -10.795 11.989 -12.589 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -10.070 10.459 -12.137 1.00 0.00 H new ATOM 0 HG LEU A 107 -12.301 9.650 -13.610 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -12.210 10.999 -15.687 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -12.705 11.997 -14.299 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -11.041 12.100 -14.921 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.627 9.095 -15.357 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.461 10.199 -14.589 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -9.997 8.734 -13.732 1.00 0.00 H new ATOM 1671 N ALA A 108 -11.326 8.488 -10.848 1.00 0.00 N ATOM 1672 CA ALA A 108 -11.512 7.025 -10.638 1.00 0.00 C ATOM 1673 C ALA A 108 -12.846 6.782 -9.930 1.00 0.00 C ATOM 1674 O ALA A 108 -13.592 5.889 -10.279 1.00 0.00 O ATOM 1675 CB ALA A 108 -10.370 6.484 -9.776 1.00 0.00 C ATOM 0 H ALA A 108 -10.378 8.832 -10.693 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.511 6.514 -11.601 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -10.506 5.413 -9.622 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -9.419 6.661 -10.279 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -10.370 6.992 -8.812 1.00 0.00 H new ATOM 1681 N GLU A 109 -13.154 7.571 -8.938 1.00 0.00 N ATOM 1682 CA GLU A 109 -14.440 7.386 -8.210 1.00 0.00 C ATOM 1683 C GLU A 109 -15.581 7.989 -9.031 1.00 0.00 C ATOM 1684 O GLU A 109 -16.716 7.566 -8.940 1.00 0.00 O ATOM 1685 CB GLU A 109 -14.365 8.085 -6.851 1.00 0.00 C ATOM 1686 CG GLU A 109 -14.101 7.049 -5.756 1.00 0.00 C ATOM 1687 CD GLU A 109 -15.408 6.340 -5.396 1.00 0.00 C ATOM 1688 OE1 GLU A 109 -15.977 5.711 -6.272 1.00 0.00 O ATOM 1689 OE2 GLU A 109 -15.817 6.438 -4.251 1.00 0.00 O ATOM 0 H GLU A 109 -12.570 8.336 -8.600 1.00 0.00 H new ATOM 0 HA GLU A 109 -14.622 6.322 -8.060 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -13.571 8.832 -6.858 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -15.297 8.612 -6.650 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -13.364 6.323 -6.098 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -13.684 7.535 -4.874 1.00 0.00 H new ATOM 1696 N LYS A 110 -15.289 8.977 -9.835 1.00 0.00 N ATOM 1697 CA LYS A 110 -16.358 9.603 -10.662 1.00 0.00 C ATOM 1698 C LYS A 110 -17.029 8.530 -11.520 1.00 0.00 C ATOM 1699 O LYS A 110 -18.213 8.588 -11.790 1.00 0.00 O ATOM 1700 CB LYS A 110 -15.743 10.673 -11.568 1.00 0.00 C ATOM 1701 CG LYS A 110 -16.858 11.503 -12.209 1.00 0.00 C ATOM 1702 CD LYS A 110 -17.146 12.729 -11.338 1.00 0.00 C ATOM 1703 CE LYS A 110 -18.483 13.348 -11.753 1.00 0.00 C ATOM 1704 NZ LYS A 110 -19.555 12.888 -10.825 1.00 0.00 N ATOM 0 H LYS A 110 -14.358 9.376 -9.954 1.00 0.00 H new ATOM 0 HA LYS A 110 -17.100 10.064 -10.010 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -15.082 11.318 -10.989 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -15.134 10.204 -12.341 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -16.563 11.816 -13.211 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -17.759 10.900 -12.316 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -17.177 12.442 -10.287 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -16.345 13.461 -11.446 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -18.413 14.436 -11.734 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -18.726 13.062 -12.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -20.463 13.309 -11.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -19.627 11.851 -10.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -19.324 13.182 -9.855 1.00 0.00 H new ATOM 1718 N PHE A 111 -16.284 7.548 -11.948 1.00 0.00 N ATOM 1719 CA PHE A 111 -16.883 6.471 -12.785 1.00 0.00 C ATOM 1720 C PHE A 111 -17.185 5.256 -11.907 1.00 0.00 C ATOM 1721 O PHE A 111 -18.318 5.011 -11.542 1.00 0.00 O ATOM 1722 CB PHE A 111 -15.899 6.075 -13.887 1.00 0.00 C ATOM 1723 CG PHE A 111 -16.096 6.973 -15.084 1.00 0.00 C ATOM 1724 CD1 PHE A 111 -17.330 6.999 -15.745 1.00 0.00 C ATOM 1725 CD2 PHE A 111 -15.046 7.782 -15.531 1.00 0.00 C ATOM 1726 CE1 PHE A 111 -17.513 7.836 -16.854 1.00 0.00 C ATOM 1727 CE2 PHE A 111 -15.227 8.618 -16.638 1.00 0.00 C ATOM 1728 CZ PHE A 111 -16.461 8.645 -17.301 1.00 0.00 C ATOM 0 H PHE A 111 -15.288 7.445 -11.755 1.00 0.00 H new ATOM 0 HA PHE A 111 -17.807 6.831 -13.238 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -14.875 6.157 -13.522 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -16.054 5.034 -14.171 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -18.141 6.374 -15.400 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -14.094 7.761 -15.021 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -18.465 7.857 -17.364 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -14.416 9.243 -16.982 1.00 0.00 H new ATOM 0 HZ PHE A 111 -16.601 9.289 -18.156 1.00 0.00 H new ATOM 1738 N ASP A 112 -16.184 4.494 -11.561 1.00 0.00 N ATOM 1739 CA ASP A 112 -16.422 3.300 -10.704 1.00 0.00 C ATOM 1740 C ASP A 112 -15.167 2.425 -10.671 1.00 0.00 C ATOM 1741 O ASP A 112 -15.244 1.219 -10.550 1.00 0.00 O ATOM 1742 CB ASP A 112 -17.594 2.494 -11.270 1.00 0.00 C ATOM 1743 CG ASP A 112 -18.858 2.799 -10.465 1.00 0.00 C ATOM 1744 OD1 ASP A 112 -18.827 2.613 -9.259 1.00 0.00 O ATOM 1745 OD2 ASP A 112 -19.834 3.214 -11.066 1.00 0.00 O ATOM 0 H ASP A 112 -15.213 4.647 -11.835 1.00 0.00 H new ATOM 0 HA ASP A 112 -16.657 3.625 -9.691 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -17.749 2.745 -12.319 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -17.371 1.428 -11.227 1.00 0.00 H new ATOM 1750 N ILE A 113 -14.011 3.022 -10.769 1.00 0.00 N ATOM 1751 CA ILE A 113 -12.756 2.221 -10.734 1.00 0.00 C ATOM 1752 C ILE A 113 -11.974 2.572 -9.467 1.00 0.00 C ATOM 1753 O ILE A 113 -12.001 3.693 -9.000 1.00 0.00 O ATOM 1754 CB ILE A 113 -11.909 2.537 -11.969 1.00 0.00 C ATOM 1755 CG1 ILE A 113 -11.608 4.036 -12.017 1.00 0.00 C ATOM 1756 CG2 ILE A 113 -12.675 2.132 -13.229 1.00 0.00 C ATOM 1757 CD1 ILE A 113 -10.844 4.366 -13.301 1.00 0.00 C ATOM 0 H ILE A 113 -13.882 4.029 -10.872 1.00 0.00 H new ATOM 0 HA ILE A 113 -12.998 1.158 -10.732 1.00 0.00 H new ATOM 0 HB ILE A 113 -10.973 1.982 -11.916 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -12.537 4.605 -11.978 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -11.020 4.327 -11.147 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -12.072 2.357 -14.109 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -12.887 1.063 -13.198 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -13.612 2.687 -13.279 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -10.631 5.434 -13.333 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -9.908 3.808 -13.321 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -11.449 4.091 -14.165 1.00 0.00 H new ATOM 1769 N ILE A 114 -11.286 1.621 -8.898 1.00 0.00 N ATOM 1770 CA ILE A 114 -10.516 1.901 -7.655 1.00 0.00 C ATOM 1771 C ILE A 114 -9.052 2.183 -7.999 1.00 0.00 C ATOM 1772 O ILE A 114 -8.333 1.319 -8.460 1.00 0.00 O ATOM 1773 CB ILE A 114 -10.596 0.688 -6.725 1.00 0.00 C ATOM 1774 CG1 ILE A 114 -9.475 0.767 -5.686 1.00 0.00 C ATOM 1775 CG2 ILE A 114 -10.442 -0.595 -7.543 1.00 0.00 C ATOM 1776 CD1 ILE A 114 -9.512 2.132 -4.997 1.00 0.00 C ATOM 0 H ILE A 114 -11.224 0.662 -9.241 1.00 0.00 H new ATOM 0 HA ILE A 114 -10.941 2.774 -7.159 1.00 0.00 H new ATOM 0 HB ILE A 114 -11.562 0.682 -6.219 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -9.592 -0.027 -4.949 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -8.508 0.617 -6.167 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -10.499 -1.458 -6.880 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -11.240 -0.653 -8.283 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -9.477 -0.590 -8.050 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -8.714 2.188 -4.257 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.374 2.918 -5.739 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -10.474 2.264 -4.503 1.00 0.00 H new ATOM 1788 N TYR A 115 -8.603 3.388 -7.767 1.00 0.00 N ATOM 1789 CA TYR A 115 -7.183 3.728 -8.070 1.00 0.00 C ATOM 1790 C TYR A 115 -6.345 3.529 -6.802 1.00 0.00 C ATOM 1791 O TYR A 115 -6.415 4.308 -5.872 1.00 0.00 O ATOM 1792 CB TYR A 115 -7.099 5.189 -8.541 1.00 0.00 C ATOM 1793 CG TYR A 115 -5.884 5.864 -7.942 1.00 0.00 C ATOM 1794 CD1 TYR A 115 -4.610 5.601 -8.460 1.00 0.00 C ATOM 1795 CD2 TYR A 115 -6.033 6.747 -6.866 1.00 0.00 C ATOM 1796 CE1 TYR A 115 -3.485 6.222 -7.902 1.00 0.00 C ATOM 1797 CE2 TYR A 115 -4.909 7.369 -6.309 1.00 0.00 C ATOM 1798 CZ TYR A 115 -3.635 7.105 -6.827 1.00 0.00 C ATOM 1799 OH TYR A 115 -2.527 7.716 -6.277 1.00 0.00 O ATOM 0 H TYR A 115 -9.159 4.151 -7.381 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.800 3.082 -8.860 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -7.044 5.225 -9.629 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -8.002 5.725 -8.249 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -4.495 4.919 -9.290 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.015 6.949 -6.465 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -2.502 6.019 -8.301 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -5.024 8.052 -5.480 1.00 0.00 H new ATOM 0 HH TYR A 115 -1.765 7.620 -6.885 1.00 0.00 H new ATOM 1809 N ASP A 116 -5.553 2.492 -6.758 1.00 0.00 N ATOM 1810 CA ASP A 116 -4.715 2.247 -5.550 1.00 0.00 C ATOM 1811 C ASP A 116 -3.392 1.604 -5.966 1.00 0.00 C ATOM 1812 O ASP A 116 -3.243 0.398 -5.945 1.00 0.00 O ATOM 1813 CB ASP A 116 -5.461 1.310 -4.596 1.00 0.00 C ATOM 1814 CG ASP A 116 -4.876 1.441 -3.188 1.00 0.00 C ATOM 1815 OD1 ASP A 116 -3.697 1.737 -3.083 1.00 0.00 O ATOM 1816 OD2 ASP A 116 -5.617 1.242 -2.240 1.00 0.00 O ATOM 0 H ASP A 116 -5.450 1.805 -7.505 1.00 0.00 H new ATOM 0 HA ASP A 116 -4.514 3.194 -5.049 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.523 1.556 -4.584 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -5.377 0.280 -4.942 1.00 0.00 H new ATOM 1821 N GLY A 117 -2.426 2.399 -6.342 1.00 0.00 N ATOM 1822 CA GLY A 117 -1.113 1.830 -6.757 1.00 0.00 C ATOM 1823 C GLY A 117 -0.380 2.827 -7.655 1.00 0.00 C ATOM 1824 O GLY A 117 -0.559 2.842 -8.857 1.00 0.00 O ATOM 0 H GLY A 117 -2.490 3.416 -6.379 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -0.509 1.605 -5.878 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -1.265 0.890 -7.288 1.00 0.00 H new ATOM 1828 N TRP A 118 0.449 3.658 -7.084 1.00 0.00 N ATOM 1829 CA TRP A 118 1.195 4.650 -7.909 1.00 0.00 C ATOM 1830 C TRP A 118 2.688 4.566 -7.580 1.00 0.00 C ATOM 1831 O TRP A 118 3.077 4.489 -6.431 1.00 0.00 O ATOM 1832 CB TRP A 118 0.672 6.062 -7.611 1.00 0.00 C ATOM 1833 CG TRP A 118 1.503 6.704 -6.545 1.00 0.00 C ATOM 1834 CD1 TRP A 118 1.300 6.570 -5.214 1.00 0.00 C ATOM 1835 CD2 TRP A 118 2.661 7.576 -6.697 1.00 0.00 C ATOM 1836 NE1 TRP A 118 2.259 7.303 -4.539 1.00 0.00 N ATOM 1837 CE2 TRP A 118 3.121 7.941 -5.410 1.00 0.00 C ATOM 1838 CE3 TRP A 118 3.350 8.080 -7.815 1.00 0.00 C ATOM 1839 CZ2 TRP A 118 4.226 8.777 -5.238 1.00 0.00 C ATOM 1840 CZ3 TRP A 118 4.462 8.921 -7.645 1.00 0.00 C ATOM 1841 CH2 TRP A 118 4.898 9.268 -6.360 1.00 0.00 C ATOM 0 H TRP A 118 0.642 3.693 -6.083 1.00 0.00 H new ATOM 0 HA TRP A 118 1.048 4.431 -8.967 1.00 0.00 H new ATOM 0 HB2 TRP A 118 0.699 6.667 -8.517 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -0.369 6.013 -7.291 1.00 0.00 H new ATOM 0 HD1 TRP A 118 0.517 5.986 -4.754 1.00 0.00 H new ATOM 0 HE1 TRP A 118 2.322 7.365 -3.523 1.00 0.00 H new ATOM 0 HE3 TRP A 118 3.022 7.819 -8.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 4.559 9.042 -4.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 4.984 9.302 -8.510 1.00 0.00 H new ATOM 0 HH2 TRP A 118 5.754 9.915 -6.237 1.00 0.00 H new ATOM 1852 N GLY A 119 3.528 4.579 -8.579 1.00 0.00 N ATOM 1853 CA GLY A 119 4.993 4.500 -8.320 1.00 0.00 C ATOM 1854 C GLY A 119 5.752 5.144 -9.483 1.00 0.00 C ATOM 1855 O GLY A 119 5.341 5.065 -10.623 1.00 0.00 O ATOM 0 H GLY A 119 3.263 4.641 -9.562 1.00 0.00 H new ATOM 0 HA2 GLY A 119 5.236 5.008 -7.387 1.00 0.00 H new ATOM 0 HA3 GLY A 119 5.297 3.460 -8.205 1.00 0.00 H new ATOM 1859 N THR A 120 6.855 5.783 -9.203 1.00 0.00 N ATOM 1860 CA THR A 120 7.636 6.432 -10.294 1.00 0.00 C ATOM 1861 C THR A 120 8.729 5.476 -10.778 1.00 0.00 C ATOM 1862 O THR A 120 8.953 4.431 -10.203 1.00 0.00 O ATOM 1863 CB THR A 120 8.279 7.716 -9.766 1.00 0.00 C ATOM 1864 OG1 THR A 120 9.349 8.094 -10.620 1.00 0.00 O ATOM 1865 CG2 THR A 120 8.809 7.479 -8.351 1.00 0.00 C ATOM 0 H THR A 120 7.249 5.884 -8.267 1.00 0.00 H new ATOM 0 HA THR A 120 6.971 6.673 -11.123 1.00 0.00 H new ATOM 0 HB THR A 120 7.535 8.513 -9.743 1.00 0.00 H new ATOM 0 HG1 THR A 120 9.718 8.952 -10.322 1.00 0.00 H new ATOM 0 HG21 THR A 120 9.267 8.394 -7.976 1.00 0.00 H new ATOM 0 HG22 THR A 120 7.986 7.191 -7.698 1.00 0.00 H new ATOM 0 HG23 THR A 120 9.553 6.683 -8.370 1.00 0.00 H new ATOM 1873 N TYR A 121 9.412 5.830 -11.832 1.00 0.00 N ATOM 1874 CA TYR A 121 10.493 4.945 -12.351 1.00 0.00 C ATOM 1875 C TYR A 121 11.846 5.630 -12.153 1.00 0.00 C ATOM 1876 O TYR A 121 12.011 6.795 -12.455 1.00 0.00 O ATOM 1877 CB TYR A 121 10.265 4.680 -13.841 1.00 0.00 C ATOM 1878 CG TYR A 121 9.741 3.275 -14.028 1.00 0.00 C ATOM 1879 CD1 TYR A 121 8.378 3.005 -13.847 1.00 0.00 C ATOM 1880 CD2 TYR A 121 10.617 2.242 -14.381 1.00 0.00 C ATOM 1881 CE1 TYR A 121 7.892 1.704 -14.019 1.00 0.00 C ATOM 1882 CE2 TYR A 121 10.131 0.939 -14.552 1.00 0.00 C ATOM 1883 CZ TYR A 121 8.769 0.671 -14.371 1.00 0.00 C ATOM 1884 OH TYR A 121 8.291 -0.612 -14.540 1.00 0.00 O ATOM 0 H TYR A 121 9.268 6.693 -12.356 1.00 0.00 H new ATOM 0 HA TYR A 121 10.482 3.998 -11.811 1.00 0.00 H new ATOM 0 HB2 TYR A 121 9.555 5.401 -14.245 1.00 0.00 H new ATOM 0 HB3 TYR A 121 11.197 4.808 -14.391 1.00 0.00 H new ATOM 0 HD1 TYR A 121 7.702 3.802 -13.574 1.00 0.00 H new ATOM 0 HD2 TYR A 121 11.668 2.449 -14.522 1.00 0.00 H new ATOM 0 HE1 TYR A 121 6.841 1.497 -13.880 1.00 0.00 H new ATOM 0 HE2 TYR A 121 10.807 0.142 -14.823 1.00 0.00 H new ATOM 0 HH TYR A 121 9.030 -1.207 -14.784 1.00 0.00 H new