USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 582 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 65 THR OG1 : rot -150:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.274) USER MOD Single : A 68 GLN : amide:sc= -3.02 K(o=-3,f=-4.3!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.912 K(o=-0.91,f=-2.3!) USER MOD Single : A 83 LYS NZ :NH3+ 142:sc= -0.0174 (180deg=-0.241) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 GLN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : B 168 SER OG : rot -160:sc= 1.19 USER MOD Single : B 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 174 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 175 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : B 176 MET CE :methyl 157:sc= -7.95! (180deg=-11.1!) USER MOD Single : B 184 THR OG1 : rot 97:sc= 0.773 USER MOD Single : B 185 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 188 GLN : amide:sc= -0.34 X(o=-0.34,f=-0.31) USER MOD Single : B 189 GLN : amide:sc= -0.595 K(o=-0.59,f=0) USER MOD Single : B 191 SER OG : rot 101:sc= 0.022 USER MOD Single : B 192 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 194 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.207) USER MOD Single : B 195 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 196 LYS NZ :NH3+ 164:sc= -2! (180deg=-2.18!) USER MOD Single : B 197 GLN : amide:sc= -1.26 K(o=-1.3,f=-2.2!) USER MOD Single : B 198 GLN : amide:sc= -0.416 X(o=-0.42,f=-0.1) USER MOD Single : B 199 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 161 N LEU A 62 -0.443 -18.708 1.726 1.00 0.00 N ATOM 162 CA LEU A 62 -0.423 -17.395 1.011 1.00 0.00 C ATOM 163 C LEU A 62 -1.533 -16.491 1.550 1.00 0.00 C ATOM 164 O LEU A 62 -1.421 -15.279 1.535 1.00 0.00 O ATOM 165 CB LEU A 62 -0.670 -17.732 -0.461 1.00 0.00 C ATOM 166 CG LEU A 62 -0.078 -16.631 -1.344 1.00 0.00 C ATOM 167 CD1 LEU A 62 1.347 -17.011 -1.746 1.00 0.00 C ATOM 168 CD2 LEU A 62 -0.936 -16.470 -2.600 1.00 0.00 C ATOM 0 HA LEU A 62 0.519 -16.864 1.148 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.216 -18.692 -0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.739 -17.827 -0.649 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.061 -15.691 -0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.769 -16.227 -2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.959 -17.127 -0.851 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.331 -17.950 -2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.515 -15.686 -3.230 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.952 -17.410 -3.152 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.952 -16.199 -2.314 1.00 0.00 H new ATOM 180 N GLU A 63 -2.604 -17.074 2.028 1.00 0.00 N ATOM 181 CA GLU A 63 -3.728 -16.254 2.574 1.00 0.00 C ATOM 182 C GLU A 63 -3.271 -15.510 3.831 1.00 0.00 C ATOM 183 O GLU A 63 -3.750 -14.432 4.132 1.00 0.00 O ATOM 184 CB GLU A 63 -4.831 -17.258 2.919 1.00 0.00 C ATOM 185 CG GLU A 63 -6.107 -16.503 3.302 1.00 0.00 C ATOM 186 CD GLU A 63 -6.949 -17.368 4.241 1.00 0.00 C ATOM 187 OE1 GLU A 63 -7.688 -18.202 3.743 1.00 0.00 O ATOM 188 OE2 GLU A 63 -6.843 -17.182 5.442 1.00 0.00 O ATOM 0 H GLU A 63 -2.748 -18.083 2.064 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.073 -15.504 1.862 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.023 -17.910 2.067 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.512 -17.896 3.743 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.853 -15.561 3.788 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.679 -16.256 2.407 1.00 0.00 H new ATOM 195 N GLU A 64 -2.345 -16.077 4.562 1.00 0.00 N ATOM 196 CA GLU A 64 -1.847 -15.405 5.800 1.00 0.00 C ATOM 197 C GLU A 64 -1.085 -14.134 5.433 1.00 0.00 C ATOM 198 O GLU A 64 -1.325 -13.074 5.980 1.00 0.00 O ATOM 199 CB GLU A 64 -0.915 -16.418 6.468 1.00 0.00 C ATOM 200 CG GLU A 64 -1.035 -16.298 7.989 1.00 0.00 C ATOM 201 CD GLU A 64 -2.266 -17.070 8.467 1.00 0.00 C ATOM 202 OE1 GLU A 64 -3.316 -16.903 7.869 1.00 0.00 O ATOM 203 OE2 GLU A 64 -2.138 -17.818 9.423 1.00 0.00 O ATOM 0 H GLU A 64 -1.912 -16.977 4.355 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.660 -15.112 6.464 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.172 -17.429 6.151 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.115 -16.239 6.159 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.138 -16.691 8.467 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.116 -15.250 8.276 1.00 0.00 H new ATOM 210 N THR A 65 -0.175 -14.233 4.501 1.00 0.00 N ATOM 211 CA THR A 65 0.603 -13.029 4.079 1.00 0.00 C ATOM 212 C THR A 65 -0.330 -12.037 3.385 1.00 0.00 C ATOM 213 O THR A 65 -0.132 -10.837 3.448 1.00 0.00 O ATOM 214 CB THR A 65 1.661 -13.551 3.104 1.00 0.00 C ATOM 215 OG1 THR A 65 2.362 -14.632 3.702 1.00 0.00 O ATOM 216 CG2 THR A 65 2.644 -12.428 2.766 1.00 0.00 C ATOM 0 H THR A 65 0.064 -15.096 4.013 1.00 0.00 H new ATOM 0 HA THR A 65 1.061 -12.511 4.921 1.00 0.00 H new ATOM 0 HB THR A 65 1.176 -13.894 2.190 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.278 -14.660 3.354 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.397 -12.800 2.072 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.105 -11.599 2.307 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.131 -12.083 3.678 1.00 0.00 H new ATOM 224 N LYS A 66 -1.350 -12.532 2.731 1.00 0.00 N ATOM 225 CA LYS A 66 -2.311 -11.625 2.037 1.00 0.00 C ATOM 226 C LYS A 66 -3.120 -10.836 3.069 1.00 0.00 C ATOM 227 O LYS A 66 -3.563 -9.733 2.810 1.00 0.00 O ATOM 228 CB LYS A 66 -3.226 -12.546 1.227 1.00 0.00 C ATOM 229 CG LYS A 66 -2.688 -12.676 -0.198 1.00 0.00 C ATOM 230 CD LYS A 66 -3.074 -11.435 -1.006 1.00 0.00 C ATOM 231 CE LYS A 66 -2.182 -11.333 -2.244 1.00 0.00 C ATOM 232 NZ LYS A 66 -2.589 -12.478 -3.106 1.00 0.00 N ATOM 0 H LYS A 66 -1.558 -13.527 2.648 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.806 -10.899 1.399 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.280 -13.528 1.698 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.239 -12.145 1.209 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.604 -12.788 -0.180 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.093 -13.571 -0.671 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.121 -11.493 -1.303 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.966 -10.541 -0.392 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.325 -10.382 -2.757 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.127 -11.395 -1.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.246 -12.322 -4.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.180 -13.358 -2.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.626 -12.555 -3.114 1.00 0.00 H new ATOM 246 N GLU A 67 -3.311 -11.395 4.241 1.00 0.00 N ATOM 247 CA GLU A 67 -4.089 -10.677 5.296 1.00 0.00 C ATOM 248 C GLU A 67 -3.341 -9.416 5.728 1.00 0.00 C ATOM 249 O GLU A 67 -3.938 -8.380 5.955 1.00 0.00 O ATOM 250 CB GLU A 67 -4.202 -11.662 6.463 1.00 0.00 C ATOM 251 CG GLU A 67 -5.573 -12.342 6.431 1.00 0.00 C ATOM 252 CD GLU A 67 -5.508 -13.662 7.203 1.00 0.00 C ATOM 253 OE1 GLU A 67 -4.918 -13.672 8.270 1.00 0.00 O ATOM 254 OE2 GLU A 67 -6.048 -14.639 6.712 1.00 0.00 O ATOM 0 H GLU A 67 -2.962 -12.315 4.510 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.071 -10.364 4.941 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.412 -12.410 6.398 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.067 -11.138 7.409 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.325 -11.688 6.872 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.875 -12.526 5.400 1.00 0.00 H new ATOM 261 N GLN A 68 -2.040 -9.494 5.831 1.00 0.00 N ATOM 262 CA GLN A 68 -1.246 -8.295 6.237 1.00 0.00 C ATOM 263 C GLN A 68 -1.210 -7.297 5.085 1.00 0.00 C ATOM 264 O GLN A 68 -1.345 -6.102 5.279 1.00 0.00 O ATOM 265 CB GLN A 68 0.157 -8.820 6.544 1.00 0.00 C ATOM 266 CG GLN A 68 0.857 -7.873 7.522 1.00 0.00 C ATOM 267 CD GLN A 68 1.087 -6.518 6.849 1.00 0.00 C ATOM 268 OE1 GLN A 68 1.959 -6.381 6.015 1.00 0.00 O ATOM 269 NE2 GLN A 68 0.335 -5.504 7.179 1.00 0.00 N ATOM 0 H GLN A 68 -1.492 -10.336 5.652 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.673 -7.783 7.099 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.096 -9.821 6.972 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.735 -8.901 5.624 1.00 0.00 H new ATOM 0 HG2 GLN A 68 0.250 -7.747 8.419 1.00 0.00 H new ATOM 0 HG3 GLN A 68 1.809 -8.299 7.839 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.397 -5.619 7.879 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.480 -4.596 6.736 1.00 0.00 H new ATOM 278 N ILE A 69 -1.047 -7.783 3.885 1.00 0.00 N ATOM 279 CA ILE A 69 -1.021 -6.873 2.703 1.00 0.00 C ATOM 280 C ILE A 69 -2.403 -6.237 2.524 1.00 0.00 C ATOM 281 O ILE A 69 -2.528 -5.145 2.001 1.00 0.00 O ATOM 282 CB ILE A 69 -0.664 -7.763 1.507 1.00 0.00 C ATOM 283 CG1 ILE A 69 0.712 -8.397 1.739 1.00 0.00 C ATOM 284 CG2 ILE A 69 -0.620 -6.920 0.229 1.00 0.00 C ATOM 285 CD1 ILE A 69 1.006 -9.406 0.628 1.00 0.00 C ATOM 0 H ILE A 69 -0.930 -8.773 3.671 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.302 -6.061 2.813 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.418 -8.543 1.401 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.481 -7.625 1.756 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.736 -8.892 2.710 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.366 -7.557 -0.618 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.595 -6.464 0.060 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.133 -6.139 0.334 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.985 -9.856 0.795 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.243 -10.185 0.633 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.000 -8.898 -0.336 1.00 0.00 H new ATOM 297 N LEU A 70 -3.439 -6.910 2.966 1.00 0.00 N ATOM 298 CA LEU A 70 -4.815 -6.343 2.837 1.00 0.00 C ATOM 299 C LEU A 70 -4.915 -5.048 3.645 1.00 0.00 C ATOM 300 O LEU A 70 -5.494 -4.074 3.201 1.00 0.00 O ATOM 301 CB LEU A 70 -5.751 -7.409 3.413 1.00 0.00 C ATOM 302 CG LEU A 70 -6.347 -8.238 2.275 1.00 0.00 C ATOM 303 CD1 LEU A 70 -6.906 -9.548 2.835 1.00 0.00 C ATOM 304 CD2 LEU A 70 -7.476 -7.447 1.608 1.00 0.00 C ATOM 0 H LEU A 70 -3.389 -7.827 3.410 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.070 -6.104 1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.204 -8.055 4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.547 -6.936 3.987 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.572 -8.459 1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.331 -10.139 2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.104 -10.111 3.312 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.682 -9.328 3.569 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.903 -8.036 0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.250 -7.228 2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.080 -6.513 1.209 1.00 0.00 H new ATOM 316 N LYS A 71 -4.343 -5.027 4.825 1.00 0.00 N ATOM 317 CA LYS A 71 -4.392 -3.788 5.661 1.00 0.00 C ATOM 318 C LYS A 71 -3.613 -2.670 4.968 1.00 0.00 C ATOM 319 O LYS A 71 -3.928 -1.502 5.106 1.00 0.00 O ATOM 320 CB LYS A 71 -3.729 -4.166 6.988 1.00 0.00 C ATOM 321 CG LYS A 71 -4.536 -5.276 7.664 1.00 0.00 C ATOM 322 CD LYS A 71 -5.614 -4.656 8.555 1.00 0.00 C ATOM 323 CE LYS A 71 -4.987 -4.203 9.875 1.00 0.00 C ATOM 324 NZ LYS A 71 -5.727 -2.965 10.246 1.00 0.00 N ATOM 0 H LYS A 71 -3.846 -5.813 5.244 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.410 -3.429 5.813 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.706 -4.500 6.813 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.673 -3.294 7.640 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.996 -5.916 6.911 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.877 -5.908 8.259 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.075 -3.808 8.049 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.405 -5.382 8.746 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.088 -4.969 10.644 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.921 -4.006 9.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.354 -2.593 11.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.607 -2.252 9.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.738 -3.184 10.356 1.00 0.00 H new ATOM 338 N LEU A 72 -2.602 -3.025 4.218 1.00 0.00 N ATOM 339 CA LEU A 72 -1.795 -1.993 3.498 1.00 0.00 C ATOM 340 C LEU A 72 -2.596 -1.431 2.322 1.00 0.00 C ATOM 341 O LEU A 72 -2.422 -0.291 1.931 1.00 0.00 O ATOM 342 CB LEU A 72 -0.553 -2.736 2.998 1.00 0.00 C ATOM 343 CG LEU A 72 0.556 -2.657 4.052 1.00 0.00 C ATOM 344 CD1 LEU A 72 1.753 -3.492 3.593 1.00 0.00 C ATOM 345 CD2 LEU A 72 0.990 -1.199 4.240 1.00 0.00 C ATOM 0 H LEU A 72 -2.299 -3.988 4.072 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.532 -1.150 4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.799 -3.778 2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.209 -2.299 2.061 1.00 0.00 H new ATOM 0 HG LEU A 72 0.182 -3.045 5.000 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.543 -3.437 4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.445 -4.530 3.466 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.124 -3.105 2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.779 -1.148 4.991 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.363 -0.806 3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.137 -0.605 4.569 1.00 0.00 H new ATOM 357 N GLU A 73 -3.476 -2.222 1.761 1.00 0.00 N ATOM 358 CA GLU A 73 -4.300 -1.737 0.612 1.00 0.00 C ATOM 359 C GLU A 73 -5.319 -0.707 1.101 1.00 0.00 C ATOM 360 O GLU A 73 -5.638 0.242 0.408 1.00 0.00 O ATOM 361 CB GLU A 73 -5.008 -2.979 0.067 1.00 0.00 C ATOM 362 CG GLU A 73 -4.195 -3.566 -1.088 1.00 0.00 C ATOM 363 CD GLU A 73 -4.932 -4.773 -1.672 1.00 0.00 C ATOM 364 OE1 GLU A 73 -6.004 -4.577 -2.222 1.00 0.00 O ATOM 365 OE2 GLU A 73 -4.413 -5.871 -1.560 1.00 0.00 O ATOM 0 H GLU A 73 -3.659 -3.183 2.049 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.695 -1.253 -0.155 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.124 -3.720 0.857 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.010 -2.719 -0.275 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.043 -2.811 -1.860 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.208 -3.865 -0.736 1.00 0.00 H new ATOM 372 N GLU A 74 -5.825 -0.886 2.293 1.00 0.00 N ATOM 373 CA GLU A 74 -6.820 0.083 2.843 1.00 0.00 C ATOM 374 C GLU A 74 -6.111 1.377 3.249 1.00 0.00 C ATOM 375 O GLU A 74 -6.683 2.451 3.201 1.00 0.00 O ATOM 376 CB GLU A 74 -7.421 -0.607 4.071 1.00 0.00 C ATOM 377 CG GLU A 74 -8.798 -1.176 3.719 1.00 0.00 C ATOM 378 CD GLU A 74 -9.337 -1.978 4.904 1.00 0.00 C ATOM 379 OE1 GLU A 74 -8.566 -2.718 5.493 1.00 0.00 O ATOM 380 OE2 GLU A 74 -10.512 -1.841 5.202 1.00 0.00 O ATOM 0 H GLU A 74 -5.592 -1.663 2.911 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.587 0.347 2.115 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.762 -1.406 4.410 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.509 0.104 4.893 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.485 -0.367 3.471 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.725 -1.813 2.838 1.00 0.00 H new ATOM 387 N LYS A 75 -4.867 1.279 3.642 1.00 0.00 N ATOM 388 CA LYS A 75 -4.105 2.497 4.050 1.00 0.00 C ATOM 389 C LYS A 75 -3.739 3.322 2.813 1.00 0.00 C ATOM 390 O LYS A 75 -3.628 4.532 2.875 1.00 0.00 O ATOM 391 CB LYS A 75 -2.844 1.972 4.737 1.00 0.00 C ATOM 392 CG LYS A 75 -2.053 3.144 5.319 1.00 0.00 C ATOM 393 CD LYS A 75 -2.483 3.382 6.769 1.00 0.00 C ATOM 394 CE LYS A 75 -1.810 2.351 7.677 1.00 0.00 C ATOM 395 NZ LYS A 75 -2.086 2.822 9.062 1.00 0.00 N ATOM 0 H LYS A 75 -4.345 0.405 3.698 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.683 3.144 4.709 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.113 1.273 5.529 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.230 1.424 4.023 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.985 2.932 5.276 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.224 4.042 4.726 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.209 4.390 7.080 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.567 3.306 6.855 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.216 1.353 7.511 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.739 2.295 7.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.656 2.165 9.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.682 3.771 9.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.114 2.859 9.218 1.00 0.00 H new ATOM 409 N LEU A 76 -3.556 2.672 1.691 1.00 0.00 N ATOM 410 CA LEU A 76 -3.201 3.412 0.442 1.00 0.00 C ATOM 411 C LEU A 76 -4.436 4.124 -0.111 1.00 0.00 C ATOM 412 O LEU A 76 -4.342 5.188 -0.694 1.00 0.00 O ATOM 413 CB LEU A 76 -2.715 2.341 -0.537 1.00 0.00 C ATOM 414 CG LEU A 76 -1.965 3.007 -1.691 1.00 0.00 C ATOM 415 CD1 LEU A 76 -0.569 3.422 -1.221 1.00 0.00 C ATOM 416 CD2 LEU A 76 -1.837 2.020 -2.853 1.00 0.00 C ATOM 0 H LEU A 76 -3.637 1.661 1.586 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.441 4.174 0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.062 1.634 -0.025 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.562 1.772 -0.920 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.515 3.888 -2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.034 3.897 -2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.658 4.125 -0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.019 2.540 -0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.302 2.494 -3.676 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.287 1.139 -2.523 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.830 1.723 -3.189 1.00 0.00 H new ATOM 428 N LEU A 77 -5.593 3.545 0.077 1.00 0.00 N ATOM 429 CA LEU A 77 -6.846 4.183 -0.427 1.00 0.00 C ATOM 430 C LEU A 77 -7.243 5.339 0.492 1.00 0.00 C ATOM 431 O LEU A 77 -7.821 6.319 0.059 1.00 0.00 O ATOM 432 CB LEU A 77 -7.905 3.078 -0.391 1.00 0.00 C ATOM 433 CG LEU A 77 -8.015 2.431 -1.773 1.00 0.00 C ATOM 434 CD1 LEU A 77 -8.467 0.978 -1.621 1.00 0.00 C ATOM 435 CD2 LEU A 77 -9.038 3.198 -2.614 1.00 0.00 C ATOM 0 H LEU A 77 -5.725 2.656 0.559 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.729 4.593 -1.430 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.638 2.328 0.353 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.868 3.493 -0.094 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.044 2.459 -2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.546 0.517 -2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.739 0.431 -1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.439 0.949 -1.128 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.117 2.738 -3.599 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.010 3.169 -2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.717 4.234 -2.722 1.00 0.00 H new ATOM 447 N ALA A 78 -6.926 5.231 1.757 1.00 0.00 N ATOM 448 CA ALA A 78 -7.271 6.324 2.715 1.00 0.00 C ATOM 449 C ALA A 78 -6.319 7.505 2.520 1.00 0.00 C ATOM 450 O ALA A 78 -6.673 8.645 2.759 1.00 0.00 O ATOM 451 CB ALA A 78 -7.090 5.712 4.106 1.00 0.00 C ATOM 0 H ALA A 78 -6.443 4.432 2.168 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.284 6.699 2.569 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.326 6.458 4.865 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.757 4.857 4.217 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.058 5.384 4.228 1.00 0.00 H new ATOM 457 N LEU A 79 -5.115 7.240 2.080 1.00 0.00 N ATOM 458 CA LEU A 79 -4.133 8.344 1.858 1.00 0.00 C ATOM 459 C LEU A 79 -4.493 9.110 0.584 1.00 0.00 C ATOM 460 O LEU A 79 -4.355 10.318 0.517 1.00 0.00 O ATOM 461 CB LEU A 79 -2.768 7.650 1.709 1.00 0.00 C ATOM 462 CG LEU A 79 -1.897 7.906 2.949 1.00 0.00 C ATOM 463 CD1 LEU A 79 -1.663 9.409 3.123 1.00 0.00 C ATOM 464 CD2 LEU A 79 -2.595 7.350 4.197 1.00 0.00 C ATOM 0 H LEU A 79 -4.769 6.305 1.865 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.127 9.065 2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.911 6.578 1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.261 8.020 0.818 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.938 7.406 2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.045 9.581 4.004 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.157 9.803 2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.621 9.914 3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.974 7.534 5.074 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.559 7.843 4.325 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.749 6.277 4.080 1.00 0.00 H new ATOM 476 N GLN A 80 -4.961 8.417 -0.424 1.00 0.00 N ATOM 477 CA GLN A 80 -5.341 9.103 -1.695 1.00 0.00 C ATOM 478 C GLN A 80 -6.609 9.931 -1.478 1.00 0.00 C ATOM 479 O GLN A 80 -6.812 10.948 -2.114 1.00 0.00 O ATOM 480 CB GLN A 80 -5.598 7.979 -2.702 1.00 0.00 C ATOM 481 CG GLN A 80 -4.263 7.375 -3.142 1.00 0.00 C ATOM 482 CD GLN A 80 -3.779 8.076 -4.412 1.00 0.00 C ATOM 483 OE1 GLN A 80 -4.572 8.572 -5.187 1.00 0.00 O ATOM 484 NE2 GLN A 80 -2.499 8.139 -4.661 1.00 0.00 N ATOM 0 H GLN A 80 -5.096 7.406 -0.421 1.00 0.00 H new ATOM 0 HA GLN A 80 -4.566 9.784 -2.045 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.227 7.210 -2.253 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.137 8.367 -3.567 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -3.523 7.485 -2.349 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -4.378 6.307 -3.325 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -1.832 7.723 -4.011 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -2.166 8.604 -5.505 1.00 0.00 H new ATOM 493 N GLU A 81 -7.457 9.502 -0.578 1.00 0.00 N ATOM 494 CA GLU A 81 -8.713 10.263 -0.304 1.00 0.00 C ATOM 495 C GLU A 81 -8.382 11.584 0.396 1.00 0.00 C ATOM 496 O GLU A 81 -9.102 12.557 0.275 1.00 0.00 O ATOM 497 CB GLU A 81 -9.540 9.361 0.616 1.00 0.00 C ATOM 498 CG GLU A 81 -10.313 8.345 -0.227 1.00 0.00 C ATOM 499 CD GLU A 81 -11.652 8.952 -0.656 1.00 0.00 C ATOM 500 OE1 GLU A 81 -12.378 9.406 0.211 1.00 0.00 O ATOM 501 OE2 GLU A 81 -11.926 8.950 -1.845 1.00 0.00 O ATOM 0 H GLU A 81 -7.333 8.657 -0.021 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.253 10.509 -1.218 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.887 8.844 1.319 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.232 9.962 1.206 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.730 8.066 -1.105 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -10.482 7.434 0.347 1.00 0.00 H new ATOM 508 N GLU A 82 -7.293 11.623 1.125 1.00 0.00 N ATOM 509 CA GLU A 82 -6.907 12.883 1.833 1.00 0.00 C ATOM 510 C GLU A 82 -6.513 13.953 0.812 1.00 0.00 C ATOM 511 O GLU A 82 -6.856 15.113 0.956 1.00 0.00 O ATOM 512 CB GLU A 82 -5.708 12.507 2.719 1.00 0.00 C ATOM 513 CG GLU A 82 -6.042 12.784 4.188 1.00 0.00 C ATOM 514 CD GLU A 82 -5.746 14.249 4.513 1.00 0.00 C ATOM 515 OE1 GLU A 82 -6.532 15.093 4.117 1.00 0.00 O ATOM 516 OE2 GLU A 82 -4.738 14.501 5.153 1.00 0.00 O ATOM 0 H GLU A 82 -6.656 10.838 1.260 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.726 13.290 2.426 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.461 11.454 2.585 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.830 13.081 2.422 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.092 12.563 4.381 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.455 12.132 4.834 1.00 0.00 H new ATOM 523 N LYS A 83 -5.804 13.573 -0.221 1.00 0.00 N ATOM 524 CA LYS A 83 -5.396 14.568 -1.258 1.00 0.00 C ATOM 525 C LYS A 83 -6.627 15.031 -2.038 1.00 0.00 C ATOM 526 O LYS A 83 -6.693 16.153 -2.504 1.00 0.00 O ATOM 527 CB LYS A 83 -4.424 13.827 -2.177 1.00 0.00 C ATOM 528 CG LYS A 83 -3.509 14.835 -2.875 1.00 0.00 C ATOM 529 CD LYS A 83 -2.337 14.097 -3.525 1.00 0.00 C ATOM 530 CE LYS A 83 -2.671 13.792 -4.988 1.00 0.00 C ATOM 531 NZ LYS A 83 -3.155 12.383 -4.985 1.00 0.00 N ATOM 0 H LYS A 83 -5.490 12.617 -0.391 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.934 15.454 -0.822 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.829 13.120 -1.599 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.977 13.249 -2.917 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.068 15.387 -3.630 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.139 15.565 -2.155 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.434 14.705 -3.467 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.134 13.171 -2.987 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.434 14.471 -5.369 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.795 13.907 -5.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.940 12.284 -5.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.379 11.749 -5.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.485 12.131 -4.031 1.00 0.00 H new ATOM 545 N HIS A 84 -7.605 14.173 -2.173 1.00 0.00 N ATOM 546 CA HIS A 84 -8.846 14.554 -2.915 1.00 0.00 C ATOM 547 C HIS A 84 -9.605 15.632 -2.138 1.00 0.00 C ATOM 548 O HIS A 84 -10.289 16.457 -2.714 1.00 0.00 O ATOM 549 CB HIS A 84 -9.675 13.272 -3.006 1.00 0.00 C ATOM 550 CG HIS A 84 -10.903 13.527 -3.835 1.00 0.00 C ATOM 551 ND1 HIS A 84 -12.183 13.445 -3.307 1.00 0.00 N ATOM 552 CD2 HIS A 84 -11.065 13.866 -5.156 1.00 0.00 C ATOM 553 CE1 HIS A 84 -13.049 13.728 -4.297 1.00 0.00 C ATOM 554 NE2 HIS A 84 -12.421 13.992 -5.445 1.00 0.00 N ATOM 0 H HIS A 84 -7.599 13.223 -1.801 1.00 0.00 H new ATOM 0 HA HIS A 84 -8.628 14.960 -3.903 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -9.082 12.474 -3.452 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.960 12.939 -2.008 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -10.262 14.013 -5.863 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -14.122 13.740 -4.177 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -12.844 14.234 -6.341 1.00 0.00 H new ATOM 562 N GLN A 85 -9.484 15.630 -0.833 1.00 0.00 N ATOM 563 CA GLN A 85 -10.194 16.656 -0.011 1.00 0.00 C ATOM 564 C GLN A 85 -9.676 18.053 -0.359 1.00 0.00 C ATOM 565 O GLN A 85 -10.423 19.014 -0.380 1.00 0.00 O ATOM 566 CB GLN A 85 -9.868 16.310 1.444 1.00 0.00 C ATOM 567 CG GLN A 85 -10.969 15.413 2.016 1.00 0.00 C ATOM 568 CD GLN A 85 -12.006 16.274 2.739 1.00 0.00 C ATOM 569 OE1 GLN A 85 -11.999 16.365 3.950 1.00 0.00 O ATOM 570 NE2 GLN A 85 -12.905 16.914 2.042 1.00 0.00 N ATOM 0 H GLN A 85 -8.924 14.962 -0.303 1.00 0.00 H new ATOM 0 HA GLN A 85 -11.269 16.656 -0.192 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.905 15.803 1.501 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -9.783 17.222 2.035 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.445 14.848 1.215 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.539 14.687 2.706 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -12.911 16.838 1.025 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -13.601 17.490 2.514 1.00 0.00 H new ATOM 579 N LEU A 86 -8.401 18.169 -0.636 1.00 0.00 N ATOM 580 CA LEU A 86 -7.826 19.504 -0.989 1.00 0.00 C ATOM 581 C LEU A 86 -8.381 19.970 -2.338 1.00 0.00 C ATOM 582 O LEU A 86 -8.564 21.151 -2.568 1.00 0.00 O ATOM 583 CB LEU A 86 -6.313 19.283 -1.079 1.00 0.00 C ATOM 584 CG LEU A 86 -5.647 19.754 0.216 1.00 0.00 C ATOM 585 CD1 LEU A 86 -4.442 18.863 0.523 1.00 0.00 C ATOM 586 CD2 LEU A 86 -5.180 21.202 0.053 1.00 0.00 C ATOM 0 H LEU A 86 -7.734 17.398 -0.633 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.078 20.269 -0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.099 18.227 -1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.905 19.830 -1.929 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.364 19.693 1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.967 19.198 1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.773 17.831 0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.726 18.924 -0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.706 21.537 0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.464 21.263 -0.766 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.037 21.838 -0.166 1.00 0.00 H new ATOM 598 N PHE A 87 -8.652 19.047 -3.226 1.00 0.00 N ATOM 599 CA PHE A 87 -9.200 19.427 -4.565 1.00 0.00 C ATOM 600 C PHE A 87 -10.607 20.007 -4.409 1.00 0.00 C ATOM 601 O PHE A 87 -11.035 20.837 -5.191 1.00 0.00 O ATOM 602 CB PHE A 87 -9.242 18.125 -5.370 1.00 0.00 C ATOM 603 CG PHE A 87 -7.967 17.982 -6.164 1.00 0.00 C ATOM 604 CD1 PHE A 87 -7.769 18.753 -7.316 1.00 0.00 C ATOM 605 CD2 PHE A 87 -6.981 17.078 -5.750 1.00 0.00 C ATOM 606 CE1 PHE A 87 -6.586 18.620 -8.054 1.00 0.00 C ATOM 607 CE2 PHE A 87 -5.799 16.945 -6.487 1.00 0.00 C ATOM 608 CZ PHE A 87 -5.602 17.716 -7.639 1.00 0.00 C ATOM 0 H PHE A 87 -8.518 18.046 -3.082 1.00 0.00 H new ATOM 0 HA PHE A 87 -8.592 20.186 -5.058 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -9.362 17.274 -4.699 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.102 18.127 -6.040 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -8.529 19.451 -7.636 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.133 16.483 -4.861 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.433 19.215 -8.943 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.039 16.248 -6.167 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.690 17.613 -8.208 1.00 0.00 H new ATOM 618 N LEU A 88 -11.326 19.577 -3.404 1.00 0.00 N ATOM 619 CA LEU A 88 -12.709 20.101 -3.187 1.00 0.00 C ATOM 620 C LEU A 88 -12.655 21.582 -2.805 1.00 0.00 C ATOM 621 O LEU A 88 -13.568 22.338 -3.084 1.00 0.00 O ATOM 622 CB LEU A 88 -13.281 19.272 -2.036 1.00 0.00 C ATOM 623 CG LEU A 88 -13.957 18.019 -2.595 1.00 0.00 C ATOM 624 CD1 LEU A 88 -14.000 16.936 -1.515 1.00 0.00 C ATOM 625 CD2 LEU A 88 -15.384 18.362 -3.029 1.00 0.00 C ATOM 0 H LEU A 88 -11.015 18.884 -2.723 1.00 0.00 H new ATOM 0 HA LEU A 88 -13.323 20.022 -4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -12.485 18.991 -1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -14.000 19.864 -1.470 1.00 0.00 H new ATOM 0 HG LEU A 88 -13.392 17.654 -3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -14.482 16.043 -1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -12.984 16.692 -1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -14.565 17.300 -0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.867 17.470 -3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -15.948 18.727 -2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -15.355 19.134 -3.798 1.00 0.00 H new ATOM 637 N GLN A 89 -11.590 21.999 -2.170 1.00 0.00 N ATOM 638 CA GLN A 89 -11.463 23.431 -1.764 1.00 0.00 C ATOM 639 C GLN A 89 -10.226 24.057 -2.416 1.00 0.00 C ATOM 640 O GLN A 89 -9.625 24.968 -1.878 1.00 0.00 O ATOM 641 CB GLN A 89 -11.319 23.407 -0.237 1.00 0.00 C ATOM 642 CG GLN A 89 -10.102 22.564 0.163 1.00 0.00 C ATOM 643 CD GLN A 89 -9.823 22.738 1.659 1.00 0.00 C ATOM 644 OE1 GLN A 89 -10.693 23.131 2.411 1.00 0.00 O ATOM 645 NE2 GLN A 89 -8.637 22.459 2.124 1.00 0.00 N ATOM 0 H GLN A 89 -10.800 21.407 -1.914 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.321 24.026 -2.077 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.208 24.423 0.142 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -12.221 22.995 0.215 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -10.285 21.513 -0.063 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.231 22.868 -0.417 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.907 22.129 1.493 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -8.440 22.571 3.119 1.00 0.00 H new ATOM 654 N LEU A 90 -9.846 23.574 -3.572 1.00 0.00 N ATOM 655 CA LEU A 90 -8.646 24.137 -4.268 1.00 0.00 C ATOM 656 C LEU A 90 -8.868 25.620 -4.581 1.00 0.00 C ATOM 657 O LEU A 90 -10.016 26.023 -4.663 1.00 0.00 O ATOM 658 CB LEU A 90 -8.514 23.330 -5.562 1.00 0.00 C ATOM 659 CG LEU A 90 -7.269 23.786 -6.326 1.00 0.00 C ATOM 660 CD1 LEU A 90 -6.012 23.279 -5.613 1.00 0.00 C ATOM 661 CD2 LEU A 90 -7.311 23.223 -7.749 1.00 0.00 C ATOM 662 OXT LEU A 90 -7.884 26.326 -4.734 1.00 0.00 O ATOM 0 H LEU A 90 -10.314 22.814 -4.065 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.746 24.069 -3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.444 22.266 -5.334 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -9.402 23.466 -6.179 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.247 24.875 -6.365 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.127 23.605 -6.159 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.981 23.680 -4.600 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.032 22.190 -5.571 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.425 23.547 -8.295 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -7.335 22.134 -7.709 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -8.204 23.587 -8.258 1.00 0.00 H new ATOM 675 N GLY B 166 -10.013 27.716 -1.493 1.00 0.00 N ATOM 676 CA GLY B 166 -9.766 28.742 -2.547 1.00 0.00 C ATOM 677 C GLY B 166 -9.024 29.933 -1.936 1.00 0.00 C ATOM 678 O GLY B 166 -9.511 30.576 -1.027 1.00 0.00 O ATOM 0 HA2 GLY B 166 -9.179 28.311 -3.358 1.00 0.00 H new ATOM 0 HA3 GLY B 166 -10.712 29.071 -2.978 1.00 0.00 H new ATOM 684 N LEU B 167 -7.849 30.227 -2.434 1.00 0.00 N ATOM 685 CA LEU B 167 -7.064 31.381 -1.886 1.00 0.00 C ATOM 686 C LEU B 167 -6.341 32.124 -3.020 1.00 0.00 C ATOM 687 O LEU B 167 -6.825 33.129 -3.508 1.00 0.00 O ATOM 688 CB LEU B 167 -6.052 30.807 -0.861 1.00 0.00 C ATOM 689 CG LEU B 167 -5.572 29.392 -1.246 1.00 0.00 C ATOM 690 CD1 LEU B 167 -4.076 29.257 -0.949 1.00 0.00 C ATOM 691 CD2 LEU B 167 -6.349 28.351 -0.434 1.00 0.00 C ATOM 0 H LEU B 167 -7.398 29.720 -3.195 1.00 0.00 H new ATOM 0 HA LEU B 167 -7.722 32.101 -1.400 1.00 0.00 H new ATOM 0 HB2 LEU B 167 -5.192 31.473 -0.789 1.00 0.00 H new ATOM 0 HB3 LEU B 167 -6.515 30.776 0.126 1.00 0.00 H new ATOM 0 HG LEU B 167 -5.745 29.229 -2.310 1.00 0.00 H new ATOM 0 HD11 LEU B 167 -3.740 28.257 -1.222 1.00 0.00 H new ATOM 0 HD12 LEU B 167 -3.522 29.996 -1.527 1.00 0.00 H new ATOM 0 HD13 LEU B 167 -3.900 29.422 0.114 1.00 0.00 H new ATOM 0 HD21 LEU B 167 -6.010 27.351 -0.705 1.00 0.00 H new ATOM 0 HD22 LEU B 167 -6.176 28.516 0.629 1.00 0.00 H new ATOM 0 HD23 LEU B 167 -7.414 28.444 -0.647 1.00 0.00 H new ATOM 703 N SER B 168 -5.195 31.648 -3.445 1.00 0.00 N ATOM 704 CA SER B 168 -4.455 32.335 -4.545 1.00 0.00 C ATOM 705 C SER B 168 -4.060 31.339 -5.641 1.00 0.00 C ATOM 706 O SER B 168 -3.168 31.598 -6.426 1.00 0.00 O ATOM 707 CB SER B 168 -3.208 32.913 -3.877 1.00 0.00 C ATOM 708 OG SER B 168 -2.308 31.857 -3.570 1.00 0.00 O ATOM 0 H SER B 168 -4.742 30.812 -3.076 1.00 0.00 H new ATOM 0 HA SER B 168 -5.061 33.102 -5.026 1.00 0.00 H new ATOM 0 HB2 SER B 168 -2.728 33.634 -4.538 1.00 0.00 H new ATOM 0 HB3 SER B 168 -3.483 33.448 -2.968 1.00 0.00 H new ATOM 0 HG SER B 168 -1.674 32.156 -2.885 1.00 0.00 H new ATOM 714 N LYS B 169 -4.711 30.196 -5.699 1.00 0.00 N ATOM 715 CA LYS B 169 -4.368 29.171 -6.741 1.00 0.00 C ATOM 716 C LYS B 169 -2.858 28.897 -6.753 1.00 0.00 C ATOM 717 O LYS B 169 -2.295 28.500 -7.756 1.00 0.00 O ATOM 718 CB LYS B 169 -4.816 29.776 -8.072 1.00 0.00 C ATOM 719 CG LYS B 169 -4.920 28.672 -9.128 1.00 0.00 C ATOM 720 CD LYS B 169 -6.031 27.693 -8.740 1.00 0.00 C ATOM 721 CE LYS B 169 -6.512 26.942 -9.984 1.00 0.00 C ATOM 722 NZ LYS B 169 -7.755 27.648 -10.402 1.00 0.00 N ATOM 0 H LYS B 169 -5.466 29.930 -5.068 1.00 0.00 H new ATOM 0 HA LYS B 169 -4.858 28.217 -6.546 1.00 0.00 H new ATOM 0 HB2 LYS B 169 -5.780 30.271 -7.952 1.00 0.00 H new ATOM 0 HB3 LYS B 169 -4.105 30.537 -8.395 1.00 0.00 H new ATOM 0 HG2 LYS B 169 -5.130 29.108 -10.105 1.00 0.00 H new ATOM 0 HG3 LYS B 169 -3.970 28.145 -9.212 1.00 0.00 H new ATOM 0 HD2 LYS B 169 -5.663 26.986 -7.996 1.00 0.00 H new ATOM 0 HD3 LYS B 169 -6.862 28.232 -8.285 1.00 0.00 H new ATOM 0 HE2 LYS B 169 -5.761 26.964 -10.774 1.00 0.00 H new ATOM 0 HE3 LYS B 169 -6.709 25.894 -9.761 1.00 0.00 H new ATOM 0 HZ1 LYS B 169 -8.145 27.191 -11.251 1.00 0.00 H new ATOM 0 HZ2 LYS B 169 -8.454 27.605 -9.633 1.00 0.00 H new ATOM 0 HZ3 LYS B 169 -7.535 28.642 -10.615 1.00 0.00 H new ATOM 736 N GLU B 170 -2.206 29.113 -5.640 1.00 0.00 N ATOM 737 CA GLU B 170 -0.737 28.874 -5.562 1.00 0.00 C ATOM 738 C GLU B 170 -0.363 28.441 -4.147 1.00 0.00 C ATOM 739 O GLU B 170 0.371 27.490 -3.955 1.00 0.00 O ATOM 740 CB GLU B 170 -0.097 30.221 -5.902 1.00 0.00 C ATOM 741 CG GLU B 170 1.335 29.996 -6.392 1.00 0.00 C ATOM 742 CD GLU B 170 2.192 31.215 -6.044 1.00 0.00 C ATOM 743 OE1 GLU B 170 1.696 32.322 -6.181 1.00 0.00 O ATOM 744 OE2 GLU B 170 3.329 31.022 -5.647 1.00 0.00 O ATOM 0 H GLU B 170 -2.633 29.447 -4.776 1.00 0.00 H new ATOM 0 HA GLU B 170 -0.403 28.088 -6.239 1.00 0.00 H new ATOM 0 HB2 GLU B 170 -0.680 30.729 -6.670 1.00 0.00 H new ATOM 0 HB3 GLU B 170 -0.095 30.867 -5.024 1.00 0.00 H new ATOM 0 HG2 GLU B 170 1.752 29.101 -5.930 1.00 0.00 H new ATOM 0 HG3 GLU B 170 1.340 29.830 -7.469 1.00 0.00 H new ATOM 751 N GLU B 171 -0.872 29.127 -3.153 1.00 0.00 N ATOM 752 CA GLU B 171 -0.554 28.746 -1.746 1.00 0.00 C ATOM 753 C GLU B 171 -1.205 27.401 -1.427 1.00 0.00 C ATOM 754 O GLU B 171 -0.668 26.602 -0.682 1.00 0.00 O ATOM 755 CB GLU B 171 -1.140 29.860 -0.873 1.00 0.00 C ATOM 756 CG GLU B 171 -0.012 30.761 -0.361 1.00 0.00 C ATOM 757 CD GLU B 171 0.317 31.818 -1.416 1.00 0.00 C ATOM 758 OE1 GLU B 171 -0.486 32.720 -1.593 1.00 0.00 O ATOM 759 OE2 GLU B 171 1.366 31.709 -2.029 1.00 0.00 O ATOM 0 H GLU B 171 -1.491 29.931 -3.256 1.00 0.00 H new ATOM 0 HA GLU B 171 0.517 28.639 -1.574 1.00 0.00 H new ATOM 0 HB2 GLU B 171 -1.855 30.448 -1.448 1.00 0.00 H new ATOM 0 HB3 GLU B 171 -1.684 29.429 -0.033 1.00 0.00 H new ATOM 0 HG2 GLU B 171 -0.311 31.242 0.570 1.00 0.00 H new ATOM 0 HG3 GLU B 171 0.873 30.164 -0.141 1.00 0.00 H new ATOM 766 N LEU B 172 -2.348 27.141 -2.005 1.00 0.00 N ATOM 767 CA LEU B 172 -3.033 25.838 -1.765 1.00 0.00 C ATOM 768 C LEU B 172 -2.357 24.753 -2.605 1.00 0.00 C ATOM 769 O LEU B 172 -2.342 23.592 -2.242 1.00 0.00 O ATOM 770 CB LEU B 172 -4.479 26.047 -2.218 1.00 0.00 C ATOM 771 CG LEU B 172 -5.398 25.103 -1.440 1.00 0.00 C ATOM 772 CD1 LEU B 172 -6.856 25.413 -1.779 1.00 0.00 C ATOM 773 CD2 LEU B 172 -5.083 23.655 -1.822 1.00 0.00 C ATOM 0 H LEU B 172 -2.838 27.777 -2.635 1.00 0.00 H new ATOM 0 HA LEU B 172 -2.987 25.526 -0.722 1.00 0.00 H new ATOM 0 HB2 LEU B 172 -4.778 27.082 -2.051 1.00 0.00 H new ATOM 0 HB3 LEU B 172 -4.567 25.858 -3.288 1.00 0.00 H new ATOM 0 HG LEU B 172 -5.237 25.241 -0.371 1.00 0.00 H new ATOM 0 HD11 LEU B 172 -7.510 24.740 -1.224 1.00 0.00 H new ATOM 0 HD12 LEU B 172 -7.082 26.444 -1.507 1.00 0.00 H new ATOM 0 HD13 LEU B 172 -7.018 25.276 -2.848 1.00 0.00 H new ATOM 0 HD21 LEU B 172 -5.737 22.982 -1.268 1.00 0.00 H new ATOM 0 HD22 LEU B 172 -5.243 23.518 -2.891 1.00 0.00 H new ATOM 0 HD23 LEU B 172 -4.044 23.432 -1.579 1.00 0.00 H new ATOM 785 N ILE B 173 -1.785 25.134 -3.722 1.00 0.00 N ATOM 786 CA ILE B 173 -1.091 24.139 -4.590 1.00 0.00 C ATOM 787 C ILE B 173 0.155 23.620 -3.871 1.00 0.00 C ATOM 788 O ILE B 173 0.561 22.487 -4.055 1.00 0.00 O ATOM 789 CB ILE B 173 -0.701 24.904 -5.863 1.00 0.00 C ATOM 790 CG1 ILE B 173 -1.952 25.503 -6.532 1.00 0.00 C ATOM 791 CG2 ILE B 173 -0.004 23.953 -6.841 1.00 0.00 C ATOM 792 CD1 ILE B 173 -2.943 24.394 -6.906 1.00 0.00 C ATOM 0 H ILE B 173 -1.770 26.093 -4.068 1.00 0.00 H new ATOM 0 HA ILE B 173 -1.719 23.279 -4.822 1.00 0.00 H new ATOM 0 HB ILE B 173 -0.023 25.714 -5.593 1.00 0.00 H new ATOM 0 HG12 ILE B 173 -2.429 26.212 -5.856 1.00 0.00 H new ATOM 0 HG13 ILE B 173 -1.664 26.058 -7.425 1.00 0.00 H new ATOM 0 HG21 ILE B 173 0.272 24.498 -7.744 1.00 0.00 H new ATOM 0 HG22 ILE B 173 0.893 23.545 -6.375 1.00 0.00 H new ATOM 0 HG23 ILE B 173 -0.680 23.139 -7.101 1.00 0.00 H new ATOM 0 HD11 ILE B 173 -3.821 24.835 -7.378 1.00 0.00 H new ATOM 0 HD12 ILE B 173 -2.468 23.700 -7.600 1.00 0.00 H new ATOM 0 HD13 ILE B 173 -3.245 23.857 -6.007 1.00 0.00 H new ATOM 804 N GLN B 174 0.760 24.443 -3.049 1.00 0.00 N ATOM 805 CA GLN B 174 1.980 24.001 -2.307 1.00 0.00 C ATOM 806 C GLN B 174 1.593 23.002 -1.216 1.00 0.00 C ATOM 807 O GLN B 174 2.362 22.127 -0.863 1.00 0.00 O ATOM 808 CB GLN B 174 2.560 25.276 -1.690 1.00 0.00 C ATOM 809 CG GLN B 174 3.648 25.838 -2.607 1.00 0.00 C ATOM 810 CD GLN B 174 3.734 27.355 -2.427 1.00 0.00 C ATOM 811 OE1 GLN B 174 3.412 28.104 -3.328 1.00 0.00 O ATOM 812 NE2 GLN B 174 4.157 27.843 -1.292 1.00 0.00 N ATOM 0 H GLN B 174 0.462 25.400 -2.861 1.00 0.00 H new ATOM 0 HA GLN B 174 2.702 23.504 -2.955 1.00 0.00 H new ATOM 0 HB2 GLN B 174 1.772 26.015 -1.548 1.00 0.00 H new ATOM 0 HB3 GLN B 174 2.975 25.060 -0.706 1.00 0.00 H new ATOM 0 HG2 GLN B 174 4.608 25.378 -2.373 1.00 0.00 H new ATOM 0 HG3 GLN B 174 3.423 25.597 -3.646 1.00 0.00 H new ATOM 0 HE21 GLN B 174 4.427 27.214 -0.536 1.00 0.00 H new ATOM 0 HE22 GLN B 174 4.217 28.853 -1.162 1.00 0.00 H new ATOM 821 N ASN B 175 0.402 23.123 -0.687 1.00 0.00 N ATOM 822 CA ASN B 175 -0.048 22.179 0.380 1.00 0.00 C ATOM 823 C ASN B 175 -0.405 20.827 -0.241 1.00 0.00 C ATOM 824 O ASN B 175 -0.251 19.790 0.377 1.00 0.00 O ATOM 825 CB ASN B 175 -1.287 22.831 0.998 1.00 0.00 C ATOM 826 CG ASN B 175 -0.895 24.160 1.645 1.00 0.00 C ATOM 827 OD1 ASN B 175 0.231 24.339 2.061 1.00 0.00 O ATOM 828 ND2 ASN B 175 -1.787 25.108 1.748 1.00 0.00 N ATOM 0 H ASN B 175 -0.279 23.836 -0.948 1.00 0.00 H new ATOM 0 HA ASN B 175 0.725 21.997 1.127 1.00 0.00 H new ATOM 0 HB2 ASN B 175 -2.044 22.997 0.232 1.00 0.00 H new ATOM 0 HB3 ASN B 175 -1.727 22.168 1.743 1.00 0.00 H new ATOM 0 HD21 ASN B 175 -1.537 25.999 2.178 1.00 0.00 H new ATOM 0 HD22 ASN B 175 -2.733 24.958 1.398 1.00 0.00 H new ATOM 835 N MET B 176 -0.873 20.837 -1.462 1.00 0.00 N ATOM 836 CA MET B 176 -1.238 19.555 -2.140 1.00 0.00 C ATOM 837 C MET B 176 0.031 18.778 -2.500 1.00 0.00 C ATOM 838 O MET B 176 0.030 17.563 -2.557 1.00 0.00 O ATOM 839 CB MET B 176 -1.996 19.967 -3.408 1.00 0.00 C ATOM 840 CG MET B 176 -3.497 19.736 -3.213 1.00 0.00 C ATOM 841 SD MET B 176 -4.267 19.388 -4.813 1.00 0.00 S ATOM 842 CE MET B 176 -5.796 20.315 -4.535 1.00 0.00 C ATOM 0 H MET B 176 -1.019 21.678 -2.020 1.00 0.00 H new ATOM 0 HA MET B 176 -1.843 18.909 -1.504 1.00 0.00 H new ATOM 0 HB2 MET B 176 -1.806 21.017 -3.631 1.00 0.00 H new ATOM 0 HB3 MET B 176 -1.638 19.390 -4.261 1.00 0.00 H new ATOM 0 HG2 MET B 176 -3.662 18.903 -2.529 1.00 0.00 H new ATOM 0 HG3 MET B 176 -3.955 20.615 -2.760 1.00 0.00 H new ATOM 0 HE1 MET B 176 -6.237 20.586 -5.494 1.00 0.00 H new ATOM 0 HE2 MET B 176 -6.498 19.699 -3.974 1.00 0.00 H new ATOM 0 HE3 MET B 176 -5.575 21.220 -3.969 1.00 0.00 H new ATOM 852 N ASP B 177 1.113 19.475 -2.740 1.00 0.00 N ATOM 853 CA ASP B 177 2.391 18.785 -3.094 1.00 0.00 C ATOM 854 C ASP B 177 2.949 18.055 -1.870 1.00 0.00 C ATOM 855 O ASP B 177 3.609 17.040 -1.989 1.00 0.00 O ATOM 856 CB ASP B 177 3.344 19.898 -3.535 1.00 0.00 C ATOM 857 CG ASP B 177 4.294 19.363 -4.607 1.00 0.00 C ATOM 858 OD1 ASP B 177 3.849 18.576 -5.426 1.00 0.00 O ATOM 859 OD2 ASP B 177 5.451 19.748 -4.590 1.00 0.00 O ATOM 0 H ASP B 177 1.167 20.493 -2.706 1.00 0.00 H new ATOM 0 HA ASP B 177 2.252 18.040 -3.877 1.00 0.00 H new ATOM 0 HB2 ASP B 177 2.777 20.743 -3.926 1.00 0.00 H new ATOM 0 HB3 ASP B 177 3.913 20.264 -2.680 1.00 0.00 H new ATOM 864 N ARG B 178 2.682 18.566 -0.695 1.00 0.00 N ATOM 865 CA ARG B 178 3.190 17.907 0.546 1.00 0.00 C ATOM 866 C ARG B 178 2.420 16.610 0.800 1.00 0.00 C ATOM 867 O ARG B 178 2.974 15.627 1.256 1.00 0.00 O ATOM 868 CB ARG B 178 2.933 18.911 1.671 1.00 0.00 C ATOM 869 CG ARG B 178 3.490 18.360 2.987 1.00 0.00 C ATOM 870 CD ARG B 178 4.072 19.507 3.816 1.00 0.00 C ATOM 871 NE ARG B 178 2.888 20.214 4.376 1.00 0.00 N ATOM 872 CZ ARG B 178 2.798 20.416 5.663 1.00 0.00 C ATOM 873 NH1 ARG B 178 3.094 19.457 6.497 1.00 0.00 N ATOM 874 NH2 ARG B 178 2.414 21.579 6.115 1.00 0.00 N ATOM 0 H ARG B 178 2.133 19.412 -0.541 1.00 0.00 H new ATOM 0 HA ARG B 178 4.246 17.647 0.472 1.00 0.00 H new ATOM 0 HB2 ARG B 178 3.405 19.865 1.436 1.00 0.00 H new ATOM 0 HB3 ARG B 178 1.864 19.099 1.767 1.00 0.00 H new ATOM 0 HG2 ARG B 178 2.701 17.857 3.546 1.00 0.00 H new ATOM 0 HG3 ARG B 178 4.261 17.616 2.785 1.00 0.00 H new ATOM 0 HD2 ARG B 178 4.720 19.133 4.609 1.00 0.00 H new ATOM 0 HD3 ARG B 178 4.675 20.174 3.200 1.00 0.00 H new ATOM 0 HE ARG B 178 2.148 20.540 3.755 1.00 0.00 H new ATOM 0 HH11 ARG B 178 3.396 18.549 6.144 1.00 0.00 H new ATOM 0 HH12 ARG B 178 3.024 19.615 7.502 1.00 0.00 H new ATOM 0 HH21 ARG B 178 2.185 22.329 5.463 1.00 0.00 H new ATOM 0 HH22 ARG B 178 2.343 21.738 7.120 1.00 0.00 H new ATOM 888 N VAL B 179 1.148 16.605 0.502 1.00 0.00 N ATOM 889 CA VAL B 179 0.326 15.374 0.716 1.00 0.00 C ATOM 890 C VAL B 179 0.779 14.272 -0.245 1.00 0.00 C ATOM 891 O VAL B 179 0.685 13.097 0.057 1.00 0.00 O ATOM 892 CB VAL B 179 -1.120 15.792 0.418 1.00 0.00 C ATOM 893 CG1 VAL B 179 -2.055 14.598 0.627 1.00 0.00 C ATOM 894 CG2 VAL B 179 -1.532 16.925 1.361 1.00 0.00 C ATOM 0 H VAL B 179 0.640 17.402 0.118 1.00 0.00 H new ATOM 0 HA VAL B 179 0.427 14.980 1.727 1.00 0.00 H new ATOM 0 HB VAL B 179 -1.188 16.133 -0.615 1.00 0.00 H new ATOM 0 HG11 VAL B 179 -3.081 14.898 0.415 1.00 0.00 H new ATOM 0 HG12 VAL B 179 -1.767 13.789 -0.044 1.00 0.00 H new ATOM 0 HG13 VAL B 179 -1.983 14.256 1.659 1.00 0.00 H new ATOM 0 HG21 VAL B 179 -2.559 17.220 1.148 1.00 0.00 H new ATOM 0 HG22 VAL B 179 -1.460 16.583 2.394 1.00 0.00 H new ATOM 0 HG23 VAL B 179 -0.871 17.779 1.214 1.00 0.00 H new ATOM 904 N ASP B 180 1.273 14.647 -1.397 1.00 0.00 N ATOM 905 CA ASP B 180 1.740 13.627 -2.385 1.00 0.00 C ATOM 906 C ASP B 180 3.003 12.933 -1.869 1.00 0.00 C ATOM 907 O ASP B 180 3.263 11.787 -2.184 1.00 0.00 O ATOM 908 CB ASP B 180 2.044 14.412 -3.664 1.00 0.00 C ATOM 909 CG ASP B 180 2.022 13.463 -4.863 1.00 0.00 C ATOM 910 OD1 ASP B 180 2.664 12.428 -4.786 1.00 0.00 O ATOM 911 OD2 ASP B 180 1.364 13.786 -5.838 1.00 0.00 O ATOM 0 H ASP B 180 1.373 15.617 -1.697 1.00 0.00 H new ATOM 0 HA ASP B 180 0.995 12.850 -2.555 1.00 0.00 H new ATOM 0 HB2 ASP B 180 1.308 15.204 -3.800 1.00 0.00 H new ATOM 0 HB3 ASP B 180 3.019 14.893 -3.585 1.00 0.00 H new ATOM 916 N ARG B 181 3.785 13.622 -1.077 1.00 0.00 N ATOM 917 CA ARG B 181 5.035 13.008 -0.532 1.00 0.00 C ATOM 918 C ARG B 181 4.688 11.984 0.551 1.00 0.00 C ATOM 919 O ARG B 181 5.397 11.013 0.747 1.00 0.00 O ATOM 920 CB ARG B 181 5.828 14.173 0.067 1.00 0.00 C ATOM 921 CG ARG B 181 6.882 14.645 -0.938 1.00 0.00 C ATOM 922 CD ARG B 181 6.209 15.467 -2.038 1.00 0.00 C ATOM 923 NE ARG B 181 7.066 15.274 -3.240 1.00 0.00 N ATOM 924 CZ ARG B 181 7.396 16.298 -3.978 1.00 0.00 C ATOM 925 NH1 ARG B 181 6.472 17.096 -4.440 1.00 0.00 N ATOM 926 NH2 ARG B 181 8.651 16.527 -4.253 1.00 0.00 N ATOM 0 H ARG B 181 3.612 14.584 -0.784 1.00 0.00 H new ATOM 0 HA ARG B 181 5.604 12.483 -1.299 1.00 0.00 H new ATOM 0 HB2 ARG B 181 5.156 14.994 0.317 1.00 0.00 H new ATOM 0 HB3 ARG B 181 6.309 13.861 0.994 1.00 0.00 H new ATOM 0 HG2 ARG B 181 7.638 15.245 -0.432 1.00 0.00 H new ATOM 0 HG3 ARG B 181 7.395 13.787 -1.373 1.00 0.00 H new ATOM 0 HD2 ARG B 181 5.190 15.124 -2.220 1.00 0.00 H new ATOM 0 HD3 ARG B 181 6.147 16.520 -1.762 1.00 0.00 H new ATOM 0 HE ARG B 181 7.395 14.341 -3.487 1.00 0.00 H new ATOM 0 HH11 ARG B 181 5.491 16.919 -4.224 1.00 0.00 H new ATOM 0 HH12 ARG B 181 6.731 17.896 -5.017 1.00 0.00 H new ATOM 0 HH21 ARG B 181 9.374 15.905 -3.891 1.00 0.00 H new ATOM 0 HH22 ARG B 181 8.909 17.328 -4.830 1.00 0.00 H new ATOM 940 N GLU B 182 3.602 12.192 1.250 1.00 0.00 N ATOM 941 CA GLU B 182 3.199 11.232 2.322 1.00 0.00 C ATOM 942 C GLU B 182 2.630 9.958 1.695 1.00 0.00 C ATOM 943 O GLU B 182 2.828 8.867 2.195 1.00 0.00 O ATOM 944 CB GLU B 182 2.125 11.958 3.133 1.00 0.00 C ATOM 945 CG GLU B 182 2.006 11.313 4.516 1.00 0.00 C ATOM 946 CD GLU B 182 0.929 12.037 5.326 1.00 0.00 C ATOM 947 OE1 GLU B 182 -0.233 11.907 4.979 1.00 0.00 O ATOM 948 OE2 GLU B 182 1.285 12.710 6.280 1.00 0.00 O ATOM 0 H GLU B 182 2.975 12.987 1.125 1.00 0.00 H new ATOM 0 HA GLU B 182 4.041 10.934 2.947 1.00 0.00 H new ATOM 0 HB2 GLU B 182 2.381 13.013 3.233 1.00 0.00 H new ATOM 0 HB3 GLU B 182 1.168 11.910 2.614 1.00 0.00 H new ATOM 0 HG2 GLU B 182 1.753 10.258 4.416 1.00 0.00 H new ATOM 0 HG3 GLU B 182 2.963 11.364 5.036 1.00 0.00 H new ATOM 955 N ILE B 183 1.929 10.095 0.599 1.00 0.00 N ATOM 956 CA ILE B 183 1.344 8.896 -0.075 1.00 0.00 C ATOM 957 C ILE B 183 2.461 8.083 -0.735 1.00 0.00 C ATOM 958 O ILE B 183 2.383 6.874 -0.838 1.00 0.00 O ATOM 959 CB ILE B 183 0.378 9.449 -1.128 1.00 0.00 C ATOM 960 CG1 ILE B 183 -0.698 10.298 -0.442 1.00 0.00 C ATOM 961 CG2 ILE B 183 -0.293 8.291 -1.871 1.00 0.00 C ATOM 962 CD1 ILE B 183 -1.568 10.979 -1.502 1.00 0.00 C ATOM 0 H ILE B 183 1.736 10.986 0.141 1.00 0.00 H new ATOM 0 HA ILE B 183 0.831 8.235 0.623 1.00 0.00 H new ATOM 0 HB ILE B 183 0.934 10.063 -1.836 1.00 0.00 H new ATOM 0 HG12 ILE B 183 -1.315 9.671 0.201 1.00 0.00 H new ATOM 0 HG13 ILE B 183 -0.231 11.048 0.197 1.00 0.00 H new ATOM 0 HG21 ILE B 183 -0.979 8.688 -2.619 1.00 0.00 H new ATOM 0 HG22 ILE B 183 0.468 7.684 -2.362 1.00 0.00 H new ATOM 0 HG23 ILE B 183 -0.846 7.675 -1.162 1.00 0.00 H new ATOM 0 HD11 ILE B 183 -2.333 11.582 -1.012 1.00 0.00 H new ATOM 0 HD12 ILE B 183 -0.946 11.619 -2.127 1.00 0.00 H new ATOM 0 HD13 ILE B 183 -2.046 10.221 -2.122 1.00 0.00 H new ATOM 974 N THR B 184 3.504 8.743 -1.170 1.00 0.00 N ATOM 975 CA THR B 184 4.639 8.017 -1.815 1.00 0.00 C ATOM 976 C THR B 184 5.383 7.191 -0.765 1.00 0.00 C ATOM 977 O THR B 184 5.861 6.108 -1.041 1.00 0.00 O ATOM 978 CB THR B 184 5.550 9.108 -2.383 1.00 0.00 C ATOM 979 OG1 THR B 184 4.755 10.110 -3.003 1.00 0.00 O ATOM 980 CG2 THR B 184 6.498 8.496 -3.416 1.00 0.00 C ATOM 0 H THR B 184 3.618 9.755 -1.106 1.00 0.00 H new ATOM 0 HA THR B 184 4.304 7.331 -2.593 1.00 0.00 H new ATOM 0 HB THR B 184 6.133 9.552 -1.576 1.00 0.00 H new ATOM 0 HG1 THR B 184 4.620 10.853 -2.379 1.00 0.00 H new ATOM 0 HG21 THR B 184 7.146 9.273 -3.820 1.00 0.00 H new ATOM 0 HG22 THR B 184 7.106 7.727 -2.941 1.00 0.00 H new ATOM 0 HG23 THR B 184 5.917 8.051 -4.224 1.00 0.00 H new ATOM 988 N MET B 185 5.475 7.696 0.440 1.00 0.00 N ATOM 989 CA MET B 185 6.182 6.941 1.520 1.00 0.00 C ATOM 990 C MET B 185 5.403 5.670 1.859 1.00 0.00 C ATOM 991 O MET B 185 5.970 4.602 1.989 1.00 0.00 O ATOM 992 CB MET B 185 6.217 7.888 2.722 1.00 0.00 C ATOM 993 CG MET B 185 7.145 7.316 3.795 1.00 0.00 C ATOM 994 SD MET B 185 6.778 8.096 5.387 1.00 0.00 S ATOM 995 CE MET B 185 5.973 6.671 6.159 1.00 0.00 C ATOM 0 H MET B 185 5.091 8.598 0.722 1.00 0.00 H new ATOM 0 HA MET B 185 7.185 6.636 1.222 1.00 0.00 H new ATOM 0 HB2 MET B 185 6.566 8.873 2.412 1.00 0.00 H new ATOM 0 HB3 MET B 185 5.213 8.018 3.126 1.00 0.00 H new ATOM 0 HG2 MET B 185 7.013 6.236 3.868 1.00 0.00 H new ATOM 0 HG3 MET B 185 8.186 7.492 3.523 1.00 0.00 H new ATOM 0 HE1 MET B 185 5.659 6.934 7.169 1.00 0.00 H new ATOM 0 HE2 MET B 185 5.101 6.383 5.572 1.00 0.00 H new ATOM 0 HE3 MET B 185 6.673 5.837 6.202 1.00 0.00 H new ATOM 1005 N VAL B 186 4.104 5.779 1.992 1.00 0.00 N ATOM 1006 CA VAL B 186 3.281 4.574 2.312 1.00 0.00 C ATOM 1007 C VAL B 186 3.273 3.628 1.110 1.00 0.00 C ATOM 1008 O VAL B 186 3.185 2.424 1.256 1.00 0.00 O ATOM 1009 CB VAL B 186 1.871 5.106 2.598 1.00 0.00 C ATOM 1010 CG1 VAL B 186 0.937 3.941 2.936 1.00 0.00 C ATOM 1011 CG2 VAL B 186 1.917 6.074 3.785 1.00 0.00 C ATOM 0 H VAL B 186 3.580 6.648 1.893 1.00 0.00 H new ATOM 0 HA VAL B 186 3.671 4.015 3.162 1.00 0.00 H new ATOM 0 HB VAL B 186 1.501 5.626 1.715 1.00 0.00 H new ATOM 0 HG11 VAL B 186 -0.063 4.324 3.138 1.00 0.00 H new ATOM 0 HG12 VAL B 186 0.898 3.250 2.094 1.00 0.00 H new ATOM 0 HG13 VAL B 186 1.311 3.419 3.817 1.00 0.00 H new ATOM 0 HG21 VAL B 186 0.914 6.451 3.986 1.00 0.00 H new ATOM 0 HG22 VAL B 186 2.292 5.552 4.665 1.00 0.00 H new ATOM 0 HG23 VAL B 186 2.577 6.908 3.549 1.00 0.00 H new ATOM 1021 N GLU B 187 3.371 4.171 -0.077 1.00 0.00 N ATOM 1022 CA GLU B 187 3.380 3.312 -1.299 1.00 0.00 C ATOM 1023 C GLU B 187 4.690 2.526 -1.377 1.00 0.00 C ATOM 1024 O GLU B 187 4.738 1.440 -1.925 1.00 0.00 O ATOM 1025 CB GLU B 187 3.267 4.283 -2.477 1.00 0.00 C ATOM 1026 CG GLU B 187 2.737 3.538 -3.704 1.00 0.00 C ATOM 1027 CD GLU B 187 3.906 2.899 -4.456 1.00 0.00 C ATOM 1028 OE1 GLU B 187 4.911 3.568 -4.629 1.00 0.00 O ATOM 1029 OE2 GLU B 187 3.777 1.750 -4.847 1.00 0.00 O ATOM 0 H GLU B 187 3.445 5.173 -0.252 1.00 0.00 H new ATOM 0 HA GLU B 187 2.568 2.585 -1.296 1.00 0.00 H new ATOM 0 HB2 GLU B 187 2.599 5.105 -2.221 1.00 0.00 H new ATOM 0 HB3 GLU B 187 4.241 4.720 -2.696 1.00 0.00 H new ATOM 0 HG2 GLU B 187 2.025 2.772 -3.398 1.00 0.00 H new ATOM 0 HG3 GLU B 187 2.203 4.227 -4.358 1.00 0.00 H new ATOM 1036 N GLN B 188 5.750 3.064 -0.826 1.00 0.00 N ATOM 1037 CA GLN B 188 7.061 2.349 -0.862 1.00 0.00 C ATOM 1038 C GLN B 188 6.993 1.086 -0.002 1.00 0.00 C ATOM 1039 O GLN B 188 7.618 0.086 -0.303 1.00 0.00 O ATOM 1040 CB GLN B 188 8.081 3.335 -0.286 1.00 0.00 C ATOM 1041 CG GLN B 188 8.465 4.362 -1.355 1.00 0.00 C ATOM 1042 CD GLN B 188 9.184 3.660 -2.508 1.00 0.00 C ATOM 1043 OE1 GLN B 188 10.315 3.239 -2.369 1.00 0.00 O ATOM 1044 NE2 GLN B 188 8.569 3.515 -3.650 1.00 0.00 N ATOM 0 H GLN B 188 5.763 3.968 -0.353 1.00 0.00 H new ATOM 0 HA GLN B 188 7.329 2.038 -1.872 1.00 0.00 H new ATOM 0 HB2 GLN B 188 7.662 3.840 0.584 1.00 0.00 H new ATOM 0 HB3 GLN B 188 8.968 2.800 0.053 1.00 0.00 H new ATOM 0 HG2 GLN B 188 7.573 4.868 -1.724 1.00 0.00 H new ATOM 0 HG3 GLN B 188 9.110 5.127 -0.923 1.00 0.00 H new ATOM 0 HE21 GLN B 188 7.619 3.869 -3.766 1.00 0.00 H new ATOM 0 HE22 GLN B 188 9.038 3.048 -4.426 1.00 0.00 H new ATOM 1053 N GLN B 189 6.232 1.126 1.061 1.00 0.00 N ATOM 1054 CA GLN B 189 6.112 -0.072 1.945 1.00 0.00 C ATOM 1055 C GLN B 189 5.184 -1.101 1.295 1.00 0.00 C ATOM 1056 O GLN B 189 5.371 -2.295 1.434 1.00 0.00 O ATOM 1057 CB GLN B 189 5.513 0.450 3.260 1.00 0.00 C ATOM 1058 CG GLN B 189 6.493 0.206 4.414 1.00 0.00 C ATOM 1059 CD GLN B 189 7.263 1.494 4.717 1.00 0.00 C ATOM 1060 OE1 GLN B 189 7.441 1.853 5.864 1.00 0.00 O ATOM 1061 NE2 GLN B 189 7.730 2.210 3.731 1.00 0.00 N ATOM 0 H GLN B 189 5.688 1.937 1.355 1.00 0.00 H new ATOM 0 HA GLN B 189 7.070 -0.563 2.113 1.00 0.00 H new ATOM 0 HB2 GLN B 189 5.297 1.515 3.174 1.00 0.00 H new ATOM 0 HB3 GLN B 189 4.567 -0.052 3.463 1.00 0.00 H new ATOM 0 HG2 GLN B 189 5.951 -0.123 5.301 1.00 0.00 H new ATOM 0 HG3 GLN B 189 7.188 -0.592 4.151 1.00 0.00 H new ATOM 0 HE21 GLN B 189 7.581 1.910 2.768 1.00 0.00 H new ATOM 0 HE22 GLN B 189 8.244 3.070 3.924 1.00 0.00 H new ATOM 1070 N ILE B 190 4.188 -0.641 0.581 1.00 0.00 N ATOM 1071 CA ILE B 190 3.245 -1.585 -0.090 1.00 0.00 C ATOM 1072 C ILE B 190 3.912 -2.186 -1.332 1.00 0.00 C ATOM 1073 O ILE B 190 3.603 -3.292 -1.736 1.00 0.00 O ATOM 1074 CB ILE B 190 2.024 -0.740 -0.473 1.00 0.00 C ATOM 1075 CG1 ILE B 190 1.413 -0.137 0.798 1.00 0.00 C ATOM 1076 CG2 ILE B 190 0.987 -1.625 -1.173 1.00 0.00 C ATOM 1077 CD1 ILE B 190 0.243 0.783 0.434 1.00 0.00 C ATOM 0 H ILE B 190 3.987 0.348 0.434 1.00 0.00 H new ATOM 0 HA ILE B 190 2.960 -2.418 0.553 1.00 0.00 H new ATOM 0 HB ILE B 190 2.327 0.060 -1.149 1.00 0.00 H new ATOM 0 HG12 ILE B 190 1.068 -0.933 1.458 1.00 0.00 H new ATOM 0 HG13 ILE B 190 2.171 0.424 1.344 1.00 0.00 H new ATOM 0 HG21 ILE B 190 0.120 -1.024 -1.445 1.00 0.00 H new ATOM 0 HG22 ILE B 190 1.425 -2.057 -2.073 1.00 0.00 H new ATOM 0 HG23 ILE B 190 0.678 -2.425 -0.500 1.00 0.00 H new ATOM 0 HD11 ILE B 190 -0.184 1.206 1.343 1.00 0.00 H new ATOM 0 HD12 ILE B 190 0.600 1.588 -0.208 1.00 0.00 H new ATOM 0 HD13 ILE B 190 -0.520 0.210 -0.093 1.00 0.00 H new ATOM 1089 N SER B 191 4.829 -1.468 -1.930 1.00 0.00 N ATOM 1090 CA SER B 191 5.528 -1.999 -3.140 1.00 0.00 C ATOM 1091 C SER B 191 6.513 -3.093 -2.724 1.00 0.00 C ATOM 1092 O SER B 191 6.775 -4.019 -3.468 1.00 0.00 O ATOM 1093 CB SER B 191 6.267 -0.801 -3.743 1.00 0.00 C ATOM 1094 OG SER B 191 5.935 -0.693 -5.121 1.00 0.00 O ATOM 0 H SER B 191 5.124 -0.538 -1.633 1.00 0.00 H new ATOM 0 HA SER B 191 4.839 -2.441 -3.859 1.00 0.00 H new ATOM 0 HB2 SER B 191 5.992 0.113 -3.217 1.00 0.00 H new ATOM 0 HB3 SER B 191 7.343 -0.925 -3.625 1.00 0.00 H new ATOM 0 HG SER B 191 5.259 0.006 -5.241 1.00 0.00 H new ATOM 1100 N LYS B 192 7.055 -2.993 -1.535 1.00 0.00 N ATOM 1101 CA LYS B 192 8.018 -4.030 -1.059 1.00 0.00 C ATOM 1102 C LYS B 192 7.257 -5.291 -0.645 1.00 0.00 C ATOM 1103 O LYS B 192 7.706 -6.399 -0.870 1.00 0.00 O ATOM 1104 CB LYS B 192 8.724 -3.403 0.144 1.00 0.00 C ATOM 1105 CG LYS B 192 9.485 -2.153 -0.305 1.00 0.00 C ATOM 1106 CD LYS B 192 10.932 -2.527 -0.634 1.00 0.00 C ATOM 1107 CE LYS B 192 11.472 -1.581 -1.708 1.00 0.00 C ATOM 1108 NZ LYS B 192 12.952 -1.738 -1.650 1.00 0.00 N ATOM 0 H LYS B 192 6.871 -2.238 -0.875 1.00 0.00 H new ATOM 0 HA LYS B 192 8.730 -4.323 -1.831 1.00 0.00 H new ATOM 0 HB2 LYS B 192 7.995 -3.142 0.911 1.00 0.00 H new ATOM 0 HB3 LYS B 192 9.413 -4.121 0.590 1.00 0.00 H new ATOM 0 HG2 LYS B 192 9.003 -1.716 -1.180 1.00 0.00 H new ATOM 0 HG3 LYS B 192 9.463 -1.399 0.482 1.00 0.00 H new ATOM 0 HD2 LYS B 192 11.548 -2.465 0.263 1.00 0.00 H new ATOM 0 HD3 LYS B 192 10.982 -3.558 -0.984 1.00 0.00 H new ATOM 0 HE2 LYS B 192 11.086 -1.841 -2.694 1.00 0.00 H new ATOM 0 HE3 LYS B 192 11.176 -0.550 -1.511 1.00 0.00 H new ATOM 0 HZ1 LYS B 192 13.395 -1.119 -2.359 1.00 0.00 H new ATOM 0 HZ2 LYS B 192 13.292 -1.477 -0.702 1.00 0.00 H new ATOM 0 HZ3 LYS B 192 13.204 -2.727 -1.848 1.00 0.00 H new ATOM 1122 N LEU B 193 6.100 -5.126 -0.052 1.00 0.00 N ATOM 1123 CA LEU B 193 5.295 -6.313 0.367 1.00 0.00 C ATOM 1124 C LEU B 193 4.730 -7.008 -0.873 1.00 0.00 C ATOM 1125 O LEU B 193 4.545 -8.211 -0.890 1.00 0.00 O ATOM 1126 CB LEU B 193 4.164 -5.754 1.242 1.00 0.00 C ATOM 1127 CG LEU B 193 4.434 -6.080 2.724 1.00 0.00 C ATOM 1128 CD1 LEU B 193 4.668 -4.784 3.506 1.00 0.00 C ATOM 1129 CD2 LEU B 193 3.229 -6.816 3.320 1.00 0.00 C ATOM 0 H LEU B 193 5.679 -4.221 0.159 1.00 0.00 H new ATOM 0 HA LEU B 193 5.887 -7.048 0.911 1.00 0.00 H new ATOM 0 HB2 LEU B 193 4.088 -4.675 1.106 1.00 0.00 H new ATOM 0 HB3 LEU B 193 3.210 -6.182 0.935 1.00 0.00 H new ATOM 0 HG LEU B 193 5.319 -6.712 2.792 1.00 0.00 H new ATOM 0 HD11 LEU B 193 4.858 -5.020 4.553 1.00 0.00 H new ATOM 0 HD12 LEU B 193 5.528 -4.258 3.090 1.00 0.00 H new ATOM 0 HD13 LEU B 193 3.785 -4.150 3.432 1.00 0.00 H new ATOM 0 HD21 LEU B 193 3.424 -7.045 4.368 1.00 0.00 H new ATOM 0 HD22 LEU B 193 2.344 -6.185 3.245 1.00 0.00 H new ATOM 0 HD23 LEU B 193 3.061 -7.743 2.772 1.00 0.00 H new ATOM 1141 N LYS B 194 4.462 -6.257 -1.912 1.00 0.00 N ATOM 1142 CA LYS B 194 3.916 -6.868 -3.161 1.00 0.00 C ATOM 1143 C LYS B 194 4.980 -7.757 -3.805 1.00 0.00 C ATOM 1144 O LYS B 194 4.685 -8.818 -4.323 1.00 0.00 O ATOM 1145 CB LYS B 194 3.573 -5.690 -4.076 1.00 0.00 C ATOM 1146 CG LYS B 194 2.362 -6.050 -4.939 1.00 0.00 C ATOM 1147 CD LYS B 194 1.093 -5.994 -4.088 1.00 0.00 C ATOM 1148 CE LYS B 194 -0.090 -6.526 -4.898 1.00 0.00 C ATOM 1149 NZ LYS B 194 -0.431 -5.428 -5.846 1.00 0.00 N ATOM 0 H LYS B 194 4.598 -5.247 -1.948 1.00 0.00 H new ATOM 0 HA LYS B 194 3.042 -7.491 -2.970 1.00 0.00 H new ATOM 0 HB2 LYS B 194 3.357 -4.803 -3.480 1.00 0.00 H new ATOM 0 HB3 LYS B 194 4.426 -5.448 -4.710 1.00 0.00 H new ATOM 0 HG2 LYS B 194 2.281 -5.358 -5.777 1.00 0.00 H new ATOM 0 HG3 LYS B 194 2.486 -7.048 -5.360 1.00 0.00 H new ATOM 0 HD2 LYS B 194 1.223 -6.587 -3.183 1.00 0.00 H new ATOM 0 HD3 LYS B 194 0.899 -4.969 -3.772 1.00 0.00 H new ATOM 0 HE2 LYS B 194 0.175 -7.440 -5.430 1.00 0.00 H new ATOM 0 HE3 LYS B 194 -0.934 -6.767 -4.252 1.00 0.00 H new ATOM 0 HZ1 LYS B 194 -1.463 -5.303 -5.876 1.00 0.00 H new ATOM 0 HZ2 LYS B 194 0.016 -4.544 -5.529 1.00 0.00 H new ATOM 0 HZ3 LYS B 194 -0.084 -5.669 -6.796 1.00 0.00 H new ATOM 1163 N LYS B 195 6.219 -7.335 -3.764 1.00 0.00 N ATOM 1164 CA LYS B 195 7.315 -8.158 -4.361 1.00 0.00 C ATOM 1165 C LYS B 195 7.529 -9.415 -3.516 1.00 0.00 C ATOM 1166 O LYS B 195 7.913 -10.454 -4.018 1.00 0.00 O ATOM 1167 CB LYS B 195 8.556 -7.264 -4.327 1.00 0.00 C ATOM 1168 CG LYS B 195 9.437 -7.566 -5.541 1.00 0.00 C ATOM 1169 CD LYS B 195 8.785 -6.990 -6.800 1.00 0.00 C ATOM 1170 CE LYS B 195 9.835 -6.862 -7.906 1.00 0.00 C ATOM 1171 NZ LYS B 195 9.059 -6.552 -9.139 1.00 0.00 N ATOM 0 H LYS B 195 6.519 -6.456 -3.343 1.00 0.00 H new ATOM 0 HA LYS B 195 7.088 -8.484 -5.376 1.00 0.00 H new ATOM 0 HB2 LYS B 195 8.261 -6.215 -4.330 1.00 0.00 H new ATOM 0 HB3 LYS B 195 9.115 -7.435 -3.407 1.00 0.00 H new ATOM 0 HG2 LYS B 195 10.428 -7.134 -5.401 1.00 0.00 H new ATOM 0 HG3 LYS B 195 9.571 -8.642 -5.648 1.00 0.00 H new ATOM 0 HD2 LYS B 195 7.972 -7.636 -7.129 1.00 0.00 H new ATOM 0 HD3 LYS B 195 8.349 -6.015 -6.583 1.00 0.00 H new ATOM 0 HE2 LYS B 195 10.551 -6.072 -7.681 1.00 0.00 H new ATOM 0 HE3 LYS B 195 10.404 -7.785 -8.019 1.00 0.00 H new ATOM 0 HZ1 LYS B 195 9.711 -6.449 -9.943 1.00 0.00 H new ATOM 0 HZ2 LYS B 195 8.390 -7.325 -9.332 1.00 0.00 H new ATOM 0 HZ3 LYS B 195 8.533 -5.665 -9.004 1.00 0.00 H new ATOM 1185 N LYS B 196 7.274 -9.325 -2.234 1.00 0.00 N ATOM 1186 CA LYS B 196 7.450 -10.512 -1.344 1.00 0.00 C ATOM 1187 C LYS B 196 6.410 -11.577 -1.697 1.00 0.00 C ATOM 1188 O LYS B 196 6.665 -12.764 -1.596 1.00 0.00 O ATOM 1189 CB LYS B 196 7.227 -9.985 0.078 1.00 0.00 C ATOM 1190 CG LYS B 196 7.390 -11.126 1.086 1.00 0.00 C ATOM 1191 CD LYS B 196 6.793 -10.706 2.432 1.00 0.00 C ATOM 1192 CE LYS B 196 5.279 -10.519 2.289 1.00 0.00 C ATOM 1193 NZ LYS B 196 4.763 -10.486 3.685 1.00 0.00 N ATOM 0 H LYS B 196 6.951 -8.479 -1.765 1.00 0.00 H new ATOM 0 HA LYS B 196 8.432 -10.973 -1.449 1.00 0.00 H new ATOM 0 HB2 LYS B 196 7.940 -9.190 0.297 1.00 0.00 H new ATOM 0 HB3 LYS B 196 6.230 -9.552 0.163 1.00 0.00 H new ATOM 0 HG2 LYS B 196 6.892 -12.024 0.719 1.00 0.00 H new ATOM 0 HG3 LYS B 196 8.445 -11.373 1.205 1.00 0.00 H new ATOM 0 HD2 LYS B 196 7.006 -11.462 3.187 1.00 0.00 H new ATOM 0 HD3 LYS B 196 7.253 -9.778 2.771 1.00 0.00 H new ATOM 0 HE2 LYS B 196 5.043 -9.596 1.759 1.00 0.00 H new ATOM 0 HE3 LYS B 196 4.832 -11.335 1.722 1.00 0.00 H new ATOM 0 HZ1 LYS B 196 3.799 -10.097 3.690 1.00 0.00 H new ATOM 0 HZ2 LYS B 196 4.749 -11.451 4.073 1.00 0.00 H new ATOM 0 HZ3 LYS B 196 5.381 -9.887 4.269 1.00 0.00 H new ATOM 1207 N GLN B 197 5.245 -11.158 -2.118 1.00 0.00 N ATOM 1208 CA GLN B 197 4.181 -12.140 -2.488 1.00 0.00 C ATOM 1209 C GLN B 197 4.626 -12.946 -3.710 1.00 0.00 C ATOM 1210 O GLN B 197 4.267 -14.097 -3.869 1.00 0.00 O ATOM 1211 CB GLN B 197 2.947 -11.298 -2.819 1.00 0.00 C ATOM 1212 CG GLN B 197 2.078 -11.151 -1.569 1.00 0.00 C ATOM 1213 CD GLN B 197 1.279 -12.437 -1.347 1.00 0.00 C ATOM 1214 OE1 GLN B 197 0.974 -13.146 -2.286 1.00 0.00 O ATOM 1215 NE2 GLN B 197 0.925 -12.770 -0.137 1.00 0.00 N ATOM 0 H GLN B 197 4.984 -10.178 -2.222 1.00 0.00 H new ATOM 0 HA GLN B 197 3.976 -12.850 -1.687 1.00 0.00 H new ATOM 0 HB2 GLN B 197 3.251 -10.316 -3.181 1.00 0.00 H new ATOM 0 HB3 GLN B 197 2.376 -11.770 -3.618 1.00 0.00 H new ATOM 0 HG2 GLN B 197 2.704 -10.945 -0.701 1.00 0.00 H new ATOM 0 HG3 GLN B 197 1.401 -10.305 -1.682 1.00 0.00 H new ATOM 0 HE21 GLN B 197 1.181 -12.175 0.651 1.00 0.00 H new ATOM 0 HE22 GLN B 197 0.392 -13.625 0.021 1.00 0.00 H new ATOM 1224 N GLN B 198 5.408 -12.344 -4.568 1.00 0.00 N ATOM 1225 CA GLN B 198 5.890 -13.067 -5.786 1.00 0.00 C ATOM 1226 C GLN B 198 6.737 -14.271 -5.376 1.00 0.00 C ATOM 1227 O GLN B 198 6.607 -15.349 -5.923 1.00 0.00 O ATOM 1228 CB GLN B 198 6.739 -12.049 -6.552 1.00 0.00 C ATOM 1229 CG GLN B 198 6.650 -12.333 -8.056 1.00 0.00 C ATOM 1230 CD GLN B 198 6.582 -11.010 -8.822 1.00 0.00 C ATOM 1231 OE1 GLN B 198 7.321 -10.802 -9.765 1.00 0.00 O ATOM 1232 NE2 GLN B 198 5.721 -10.102 -8.455 1.00 0.00 N ATOM 0 H GLN B 198 5.735 -11.382 -4.479 1.00 0.00 H new ATOM 0 HA GLN B 198 5.068 -13.444 -6.394 1.00 0.00 H new ATOM 0 HB2 GLN B 198 6.391 -11.038 -6.341 1.00 0.00 H new ATOM 0 HB3 GLN B 198 7.776 -12.104 -6.222 1.00 0.00 H new ATOM 0 HG2 GLN B 198 7.517 -12.909 -8.380 1.00 0.00 H new ATOM 0 HG3 GLN B 198 5.768 -12.936 -8.271 1.00 0.00 H new ATOM 0 HE21 GLN B 198 5.101 -10.277 -7.664 1.00 0.00 H new ATOM 0 HE22 GLN B 198 5.667 -9.217 -8.959 1.00 0.00 H new ATOM 1241 N GLN B 199 7.603 -14.089 -4.414 1.00 0.00 N ATOM 1242 CA GLN B 199 8.467 -15.221 -3.955 1.00 0.00 C ATOM 1243 C GLN B 199 7.596 -16.349 -3.395 1.00 0.00 C ATOM 1244 O GLN B 199 7.779 -17.505 -3.724 1.00 0.00 O ATOM 1245 CB GLN B 199 9.356 -14.634 -2.856 1.00 0.00 C ATOM 1246 CG GLN B 199 10.721 -14.267 -3.442 1.00 0.00 C ATOM 1247 CD GLN B 199 10.669 -12.847 -4.010 1.00 0.00 C ATOM 1248 OE1 GLN B 199 10.464 -12.661 -5.193 1.00 0.00 O ATOM 1249 NE2 GLN B 199 10.848 -11.832 -3.211 1.00 0.00 N ATOM 0 H GLN B 199 7.751 -13.206 -3.925 1.00 0.00 H new ATOM 0 HA GLN B 199 9.058 -15.643 -4.768 1.00 0.00 H new ATOM 0 HB2 GLN B 199 8.884 -13.751 -2.426 1.00 0.00 H new ATOM 0 HB3 GLN B 199 9.478 -15.356 -2.048 1.00 0.00 H new ATOM 0 HG2 GLN B 199 11.489 -14.334 -2.671 1.00 0.00 H new ATOM 0 HG3 GLN B 199 10.994 -14.974 -4.226 1.00 0.00 H new ATOM 0 HE21 GLN B 199 11.020 -11.989 -2.218 1.00 0.00 H new ATOM 0 HE22 GLN B 199 10.816 -10.881 -3.579 1.00 0.00 H new ATOM 1258 N LEU B 200 6.646 -16.015 -2.558 1.00 0.00 N ATOM 1259 CA LEU B 200 5.752 -17.063 -1.979 1.00 0.00 C ATOM 1260 C LEU B 200 4.824 -17.608 -3.066 1.00 0.00 C ATOM 1261 O LEU B 200 4.463 -18.771 -3.062 1.00 0.00 O ATOM 1262 CB LEU B 200 4.947 -16.352 -0.889 1.00 0.00 C ATOM 1263 CG LEU B 200 4.656 -17.329 0.251 1.00 0.00 C ATOM 1264 CD1 LEU B 200 5.923 -17.533 1.085 1.00 0.00 C ATOM 1265 CD2 LEU B 200 3.549 -16.759 1.139 1.00 0.00 C ATOM 0 H LEU B 200 6.451 -15.062 -2.251 1.00 0.00 H new ATOM 0 HA LEU B 200 6.310 -17.908 -1.576 1.00 0.00 H new ATOM 0 HB2 LEU B 200 5.503 -15.493 -0.513 1.00 0.00 H new ATOM 0 HB3 LEU B 200 4.013 -15.971 -1.302 1.00 0.00 H new ATOM 0 HG LEU B 200 4.336 -18.285 -0.163 1.00 0.00 H new ATOM 0 HD11 LEU B 200 5.716 -18.229 1.898 1.00 0.00 H new ATOM 0 HD12 LEU B 200 6.713 -17.938 0.453 1.00 0.00 H new ATOM 0 HD13 LEU B 200 6.244 -16.577 1.499 1.00 0.00 H new ATOM 0 HD21 LEU B 200 3.340 -17.454 1.952 1.00 0.00 H new ATOM 0 HD22 LEU B 200 3.870 -15.803 1.553 1.00 0.00 H new ATOM 0 HD23 LEU B 200 2.646 -16.613 0.546 1.00 0.00 H new ATOM 1277 N GLU B 201 4.443 -16.774 -4.000 1.00 0.00 N ATOM 1278 CA GLU B 201 3.544 -17.234 -5.100 1.00 0.00 C ATOM 1279 C GLU B 201 4.346 -18.036 -6.126 1.00 0.00 C ATOM 1280 O GLU B 201 3.828 -18.928 -6.772 1.00 0.00 O ATOM 1281 CB GLU B 201 2.990 -15.956 -5.732 1.00 0.00 C ATOM 1282 CG GLU B 201 1.809 -15.446 -4.904 1.00 0.00 C ATOM 1283 CD GLU B 201 0.938 -14.531 -5.768 1.00 0.00 C ATOM 1284 OE1 GLU B 201 0.612 -14.928 -6.875 1.00 0.00 O ATOM 1285 OE2 GLU B 201 0.611 -13.450 -5.308 1.00 0.00 O ATOM 0 H GLU B 201 4.717 -15.793 -4.048 1.00 0.00 H new ATOM 0 HA GLU B 201 2.745 -17.881 -4.737 1.00 0.00 H new ATOM 0 HB2 GLU B 201 3.769 -15.195 -5.781 1.00 0.00 H new ATOM 0 HB3 GLU B 201 2.672 -16.153 -6.756 1.00 0.00 H new ATOM 0 HG2 GLU B 201 1.220 -16.286 -4.536 1.00 0.00 H new ATOM 0 HG3 GLU B 201 2.171 -14.903 -4.031 1.00 0.00 H new