USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=7 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 -160:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.597 X(o=-0.6,f=-0.23) 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 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.388) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 85 GLN : amide:sc= -1.07 K(o=-1.1,f=-2!) USER MOD Single : A 89 GLN : amide:sc= -0.297 K(o=-0.3,f=-1) USER MOD Single : B 168 SER OG : rot -57:sc= 1.07 USER MOD Single : B 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 174 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : B 175 ASN : amide:sc= -0.014 K(o=-0.014,f=-1.4!) USER MOD Single : B 176 MET CE :methyl -162:sc= -8.26! (180deg=-9.08!) USER MOD Single : B 184 THR OG1 : rot 96:sc= 1.1 USER MOD Single : B 185 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 188 GLN : amide:sc= -0.605 X(o=-0.61,f=-0.37) USER MOD Single : B 189 GLN : amide:sc= -0.421 X(o=-0.42,f=-0.094) USER MOD Single : B 191 SER OG : rot -44:sc= 0.553 USER MOD Single : B 192 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 195 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 196 LYS NZ :NH3+ 162:sc= -0.451 (180deg=-1.03) USER MOD Single : B 197 GLN : amide:sc= -1.73 X(o=-1.7,f=-1.3) USER MOD Single : B 198 GLN : amide:sc= -0.367 X(o=-0.37,f=-0.093) USER MOD Single : B 199 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD ----------------------------------------------------------------- ATOM 161 N LEU A 62 0.443 -18.176 2.522 1.00 0.00 N ATOM 162 CA LEU A 62 0.156 -17.194 1.432 1.00 0.00 C ATOM 163 C LEU A 62 -1.161 -16.469 1.716 1.00 0.00 C ATOM 164 O LEU A 62 -1.343 -15.326 1.343 1.00 0.00 O ATOM 165 CB LEU A 62 0.044 -18.027 0.152 1.00 0.00 C ATOM 166 CG LEU A 62 1.365 -17.966 -0.618 1.00 0.00 C ATOM 167 CD1 LEU A 62 2.268 -19.118 -0.174 1.00 0.00 C ATOM 168 CD2 LEU A 62 1.085 -18.088 -2.118 1.00 0.00 C ATOM 0 HA LEU A 62 0.932 -16.433 1.349 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.197 -19.061 0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.768 -17.650 -0.469 1.00 0.00 H new ATOM 0 HG LEU A 62 1.861 -17.017 -0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.209 -19.075 -0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.466 -19.034 0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.773 -20.068 -0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.025 -18.045 -2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.590 -19.038 -2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.441 -17.268 -2.436 1.00 0.00 H new ATOM 180 N GLU A 63 -2.076 -17.129 2.378 1.00 0.00 N ATOM 181 CA GLU A 63 -3.386 -16.485 2.696 1.00 0.00 C ATOM 182 C GLU A 63 -3.214 -15.495 3.848 1.00 0.00 C ATOM 183 O GLU A 63 -3.887 -14.484 3.915 1.00 0.00 O ATOM 184 CB GLU A 63 -4.311 -17.633 3.107 1.00 0.00 C ATOM 185 CG GLU A 63 -5.734 -17.101 3.292 1.00 0.00 C ATOM 186 CD GLU A 63 -6.476 -17.974 4.306 1.00 0.00 C ATOM 187 OE1 GLU A 63 -6.883 -19.062 3.933 1.00 0.00 O ATOM 188 OE2 GLU A 63 -6.625 -17.540 5.436 1.00 0.00 O ATOM 0 H GLU A 63 -1.973 -18.087 2.712 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.788 -15.927 1.850 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.299 -18.414 2.346 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.957 -18.085 4.033 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.705 -16.068 3.638 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.262 -17.104 2.338 1.00 0.00 H new ATOM 195 N GLU A 64 -2.308 -15.779 4.748 1.00 0.00 N ATOM 196 CA GLU A 64 -2.075 -14.854 5.899 1.00 0.00 C ATOM 197 C GLU A 64 -1.279 -13.639 5.429 1.00 0.00 C ATOM 198 O GLU A 64 -1.481 -12.533 5.898 1.00 0.00 O ATOM 199 CB GLU A 64 -1.271 -15.668 6.915 1.00 0.00 C ATOM 200 CG GLU A 64 -2.226 -16.329 7.910 1.00 0.00 C ATOM 201 CD GLU A 64 -1.622 -17.646 8.400 1.00 0.00 C ATOM 202 OE1 GLU A 64 -1.330 -18.487 7.567 1.00 0.00 O ATOM 203 OE2 GLU A 64 -1.462 -17.791 9.601 1.00 0.00 O ATOM 0 H GLU A 64 -1.719 -16.612 4.736 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.005 -14.484 6.331 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.680 -16.427 6.403 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.570 -15.021 7.442 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.407 -15.663 8.754 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.191 -16.513 7.437 1.00 0.00 H new ATOM 210 N THR A 65 -0.383 -13.836 4.498 1.00 0.00 N ATOM 211 CA THR A 65 0.426 -12.695 3.977 1.00 0.00 C ATOM 212 C THR A 65 -0.440 -11.835 3.058 1.00 0.00 C ATOM 213 O THR A 65 -0.300 -10.627 3.011 1.00 0.00 O ATOM 214 CB THR A 65 1.574 -13.335 3.194 1.00 0.00 C ATOM 215 OG1 THR A 65 2.293 -14.217 4.047 1.00 0.00 O ATOM 216 CG2 THR A 65 2.513 -12.244 2.678 1.00 0.00 C ATOM 0 H THR A 65 -0.176 -14.741 4.075 1.00 0.00 H new ATOM 0 HA THR A 65 0.799 -12.050 4.772 1.00 0.00 H new ATOM 0 HB THR A 65 1.171 -13.893 2.349 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.184 -14.379 3.673 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.330 -12.701 2.120 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.961 -11.568 2.024 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.918 -11.684 3.521 1.00 0.00 H new ATOM 224 N LYS A 66 -1.343 -12.451 2.338 1.00 0.00 N ATOM 225 CA LYS A 66 -2.236 -11.675 1.426 1.00 0.00 C ATOM 226 C LYS A 66 -3.216 -10.838 2.251 1.00 0.00 C ATOM 227 O LYS A 66 -3.671 -9.795 1.818 1.00 0.00 O ATOM 228 CB LYS A 66 -2.984 -12.723 0.600 1.00 0.00 C ATOM 229 CG LYS A 66 -2.171 -13.066 -0.651 1.00 0.00 C ATOM 230 CD LYS A 66 -3.119 -13.315 -1.827 1.00 0.00 C ATOM 231 CE LYS A 66 -2.303 -13.615 -3.086 1.00 0.00 C ATOM 232 NZ LYS A 66 -3.269 -13.481 -4.212 1.00 0.00 N ATOM 0 H LYS A 66 -1.500 -13.459 2.343 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.680 -10.987 0.789 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.149 -13.620 1.196 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.966 -12.344 0.316 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.488 -12.250 -0.888 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.561 -13.951 -0.469 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.782 -14.151 -1.603 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.751 -12.442 -1.990 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.472 -12.918 -3.193 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.875 -14.617 -3.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.783 -13.672 -5.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.045 -14.162 -4.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.654 -12.515 -4.226 1.00 0.00 H new ATOM 246 N GLU A 67 -3.539 -11.285 3.440 1.00 0.00 N ATOM 247 CA GLU A 67 -4.486 -10.515 4.302 1.00 0.00 C ATOM 248 C GLU A 67 -3.844 -9.195 4.731 1.00 0.00 C ATOM 249 O GLU A 67 -4.510 -8.184 4.857 1.00 0.00 O ATOM 250 CB GLU A 67 -4.748 -11.407 5.518 1.00 0.00 C ATOM 251 CG GLU A 67 -5.936 -10.856 6.310 1.00 0.00 C ATOM 252 CD GLU A 67 -6.099 -11.652 7.606 1.00 0.00 C ATOM 253 OE1 GLU A 67 -5.142 -11.719 8.360 1.00 0.00 O ATOM 254 OE2 GLU A 67 -7.177 -12.181 7.822 1.00 0.00 O ATOM 0 H GLU A 67 -3.187 -12.150 3.850 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.411 -10.269 3.780 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.954 -12.428 5.196 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.862 -11.446 6.151 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.778 -9.801 6.536 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.846 -10.922 5.714 1.00 0.00 H new ATOM 261 N GLN A 68 -2.554 -9.198 4.944 1.00 0.00 N ATOM 262 CA GLN A 68 -1.857 -7.941 5.356 1.00 0.00 C ATOM 263 C GLN A 68 -1.694 -7.026 4.144 1.00 0.00 C ATOM 264 O GLN A 68 -1.731 -5.816 4.257 1.00 0.00 O ATOM 265 CB GLN A 68 -0.493 -8.389 5.883 1.00 0.00 C ATOM 266 CG GLN A 68 0.233 -7.194 6.504 1.00 0.00 C ATOM 267 CD GLN A 68 -0.521 -6.732 7.752 1.00 0.00 C ATOM 268 OE1 GLN A 68 -0.308 -7.249 8.831 1.00 0.00 O ATOM 269 NE2 GLN A 68 -1.399 -5.771 7.652 1.00 0.00 N ATOM 0 H GLN A 68 -1.952 -10.016 4.851 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.412 -7.384 6.111 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.619 -9.177 6.625 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.102 -8.808 5.072 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.254 -7.471 6.765 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.298 -6.379 5.783 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -1.579 -5.336 6.747 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -1.905 -5.455 8.479 1.00 0.00 H new ATOM 278 N ILE A 69 -1.528 -7.603 2.983 1.00 0.00 N ATOM 279 CA ILE A 69 -1.376 -6.780 1.746 1.00 0.00 C ATOM 280 C ILE A 69 -2.727 -6.162 1.372 1.00 0.00 C ATOM 281 O ILE A 69 -2.790 -5.105 0.774 1.00 0.00 O ATOM 282 CB ILE A 69 -0.902 -7.758 0.663 1.00 0.00 C ATOM 283 CG1 ILE A 69 0.431 -8.380 1.085 1.00 0.00 C ATOM 284 CG2 ILE A 69 -0.713 -7.014 -0.662 1.00 0.00 C ATOM 285 CD1 ILE A 69 0.726 -9.600 0.212 1.00 0.00 C ATOM 0 H ILE A 69 -1.491 -8.612 2.837 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.670 -5.959 1.873 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.650 -8.540 0.536 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.233 -7.648 0.988 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.392 -8.672 2.134 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.376 -7.713 -1.427 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.660 -6.570 -0.968 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.032 -6.229 -0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.676 -10.042 0.513 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.070 -10.334 0.332 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.783 -9.294 -0.833 1.00 0.00 H new ATOM 297 N LEU A 70 -3.806 -6.815 1.729 1.00 0.00 N ATOM 298 CA LEU A 70 -5.158 -6.269 1.405 1.00 0.00 C ATOM 299 C LEU A 70 -5.425 -5.014 2.239 1.00 0.00 C ATOM 300 O LEU A 70 -6.005 -4.055 1.764 1.00 0.00 O ATOM 301 CB LEU A 70 -6.143 -7.380 1.776 1.00 0.00 C ATOM 302 CG LEU A 70 -7.468 -7.153 1.045 1.00 0.00 C ATOM 303 CD1 LEU A 70 -8.106 -8.503 0.716 1.00 0.00 C ATOM 304 CD2 LEU A 70 -8.412 -6.348 1.940 1.00 0.00 C ATOM 0 H LEU A 70 -3.807 -7.703 2.231 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.249 -5.986 0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.729 -8.352 1.507 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.307 -7.390 2.854 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.285 -6.603 0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.050 -8.342 0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.434 -9.078 0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.290 -9.053 1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.356 -6.186 1.420 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.596 -6.898 2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.958 -5.386 2.176 1.00 0.00 H new ATOM 316 N LYS A 71 -4.999 -5.014 3.479 1.00 0.00 N ATOM 317 CA LYS A 71 -5.221 -3.817 4.349 1.00 0.00 C ATOM 318 C LYS A 71 -4.485 -2.608 3.767 1.00 0.00 C ATOM 319 O LYS A 71 -4.910 -1.479 3.923 1.00 0.00 O ATOM 320 CB LYS A 71 -4.637 -4.194 5.713 1.00 0.00 C ATOM 321 CG LYS A 71 -5.466 -3.538 6.821 1.00 0.00 C ATOM 322 CD LYS A 71 -4.947 -2.123 7.078 1.00 0.00 C ATOM 323 CE LYS A 71 -5.433 -1.641 8.446 1.00 0.00 C ATOM 324 NZ LYS A 71 -6.674 -0.866 8.162 1.00 0.00 N ATOM 0 H LYS A 71 -4.508 -5.789 3.925 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.275 -3.550 4.423 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.639 -5.277 5.835 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.599 -3.868 5.779 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.516 -3.504 6.532 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.405 -4.130 7.734 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.858 -2.112 7.043 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.298 -1.448 6.297 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.635 -2.480 9.111 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.683 -1.020 8.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.067 -0.502 9.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.449 -0.070 7.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.372 -1.485 7.703 1.00 0.00 H new ATOM 338 N LEU A 72 -3.386 -2.843 3.095 1.00 0.00 N ATOM 339 CA LEU A 72 -2.615 -1.714 2.493 1.00 0.00 C ATOM 340 C LEU A 72 -3.453 -1.029 1.411 1.00 0.00 C ATOM 341 O LEU A 72 -3.357 0.166 1.205 1.00 0.00 O ATOM 342 CB LEU A 72 -1.362 -2.358 1.881 1.00 0.00 C ATOM 343 CG LEU A 72 -0.133 -2.099 2.768 1.00 0.00 C ATOM 344 CD1 LEU A 72 0.099 -0.591 2.924 1.00 0.00 C ATOM 345 CD2 LEU A 72 -0.346 -2.729 4.151 1.00 0.00 C ATOM 0 H LEU A 72 -2.989 -3.769 2.937 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.355 -0.952 3.228 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.516 -3.431 1.768 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.189 -1.954 0.883 1.00 0.00 H new ATOM 0 HG LEU A 72 0.740 -2.548 2.295 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.972 -0.420 3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.267 -0.145 1.944 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.776 -0.134 3.385 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.528 -2.542 4.775 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.227 -2.289 4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.491 -3.804 4.043 1.00 0.00 H new ATOM 357 N GLU A 73 -4.275 -1.780 0.722 1.00 0.00 N ATOM 358 CA GLU A 73 -5.128 -1.177 -0.348 1.00 0.00 C ATOM 359 C GLU A 73 -6.081 -0.152 0.265 1.00 0.00 C ATOM 360 O GLU A 73 -6.330 0.895 -0.302 1.00 0.00 O ATOM 361 CB GLU A 73 -5.911 -2.346 -0.952 1.00 0.00 C ATOM 362 CG GLU A 73 -6.023 -2.158 -2.466 1.00 0.00 C ATOM 363 CD GLU A 73 -7.309 -1.395 -2.792 1.00 0.00 C ATOM 364 OE1 GLU A 73 -7.343 -0.201 -2.546 1.00 0.00 O ATOM 365 OE2 GLU A 73 -8.236 -2.018 -3.281 1.00 0.00 O ATOM 0 H GLU A 73 -4.392 -2.785 0.854 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.538 -0.658 -1.103 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.410 -3.288 -0.728 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.905 -2.400 -0.507 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.158 -1.610 -2.840 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.026 -3.127 -2.964 1.00 0.00 H new ATOM 372 N GLU A 74 -6.606 -0.445 1.426 1.00 0.00 N ATOM 373 CA GLU A 74 -7.537 0.511 2.095 1.00 0.00 C ATOM 374 C GLU A 74 -6.744 1.698 2.642 1.00 0.00 C ATOM 375 O GLU A 74 -7.227 2.814 2.688 1.00 0.00 O ATOM 376 CB GLU A 74 -8.180 -0.280 3.237 1.00 0.00 C ATOM 377 CG GLU A 74 -9.668 0.063 3.326 1.00 0.00 C ATOM 378 CD GLU A 74 -9.863 1.245 4.277 1.00 0.00 C ATOM 379 OE1 GLU A 74 -9.007 2.115 4.293 1.00 0.00 O ATOM 380 OE2 GLU A 74 -10.866 1.262 4.972 1.00 0.00 O ATOM 0 H GLU A 74 -6.429 -1.308 1.941 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.289 0.907 1.413 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.053 -1.349 3.069 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.685 -0.044 4.179 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.055 0.310 2.337 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.230 -0.800 3.682 1.00 0.00 H new ATOM 387 N LYS A 75 -5.523 1.460 3.046 1.00 0.00 N ATOM 388 CA LYS A 75 -4.677 2.565 3.585 1.00 0.00 C ATOM 389 C LYS A 75 -4.227 3.474 2.440 1.00 0.00 C ATOM 390 O LYS A 75 -4.089 4.671 2.605 1.00 0.00 O ATOM 391 CB LYS A 75 -3.474 1.874 4.230 1.00 0.00 C ATOM 392 CG LYS A 75 -2.733 2.867 5.128 1.00 0.00 C ATOM 393 CD LYS A 75 -3.446 2.965 6.477 1.00 0.00 C ATOM 394 CE LYS A 75 -2.735 3.995 7.358 1.00 0.00 C ATOM 395 NZ LYS A 75 -1.686 3.225 8.081 1.00 0.00 N ATOM 0 H LYS A 75 -5.074 0.544 3.025 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.212 3.188 4.302 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.805 1.016 4.815 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.803 1.494 3.459 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.702 2.544 5.272 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.696 3.847 4.652 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.487 3.254 6.330 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.451 1.992 6.969 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.296 4.792 6.758 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.429 4.466 8.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.155 3.864 8.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.134 2.478 8.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.036 2.794 7.393 1.00 0.00 H new ATOM 409 N LEU A 76 -4.006 2.910 1.279 1.00 0.00 N ATOM 410 CA LEU A 76 -3.575 3.736 0.111 1.00 0.00 C ATOM 411 C LEU A 76 -4.774 4.505 -0.443 1.00 0.00 C ATOM 412 O LEU A 76 -4.641 5.608 -0.940 1.00 0.00 O ATOM 413 CB LEU A 76 -3.052 2.735 -0.920 1.00 0.00 C ATOM 414 CG LEU A 76 -2.513 3.490 -2.138 1.00 0.00 C ATOM 415 CD1 LEU A 76 -1.153 4.101 -1.799 1.00 0.00 C ATOM 416 CD2 LEU A 76 -2.357 2.519 -3.310 1.00 0.00 C ATOM 0 H LEU A 76 -4.106 1.913 1.090 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.814 4.470 0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.264 2.123 -0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.851 2.058 -1.223 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.209 4.283 -2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.769 4.638 -2.666 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.263 4.792 -0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.456 3.309 -1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.973 3.055 -4.178 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.661 1.727 -3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.326 2.082 -3.552 1.00 0.00 H new ATOM 428 N LEU A 77 -5.945 3.930 -0.347 1.00 0.00 N ATOM 429 CA LEU A 77 -7.168 4.621 -0.852 1.00 0.00 C ATOM 430 C LEU A 77 -7.589 5.705 0.139 1.00 0.00 C ATOM 431 O LEU A 77 -8.078 6.752 -0.241 1.00 0.00 O ATOM 432 CB LEU A 77 -8.238 3.532 -0.945 1.00 0.00 C ATOM 433 CG LEU A 77 -9.347 3.985 -1.897 1.00 0.00 C ATOM 434 CD1 LEU A 77 -9.031 3.505 -3.314 1.00 0.00 C ATOM 435 CD2 LEU A 77 -10.681 3.389 -1.443 1.00 0.00 C ATOM 0 H LEU A 77 -6.107 3.009 0.061 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.006 5.105 -1.815 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.795 2.602 -1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.652 3.329 0.043 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.412 5.073 -1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.821 3.828 -3.992 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.080 3.928 -3.638 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.967 2.417 -3.324 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.472 3.711 -2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.615 2.301 -1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.907 3.730 -0.433 1.00 0.00 H new ATOM 447 N ALA A 78 -7.390 5.460 1.408 1.00 0.00 N ATOM 448 CA ALA A 78 -7.763 6.473 2.440 1.00 0.00 C ATOM 449 C ALA A 78 -6.764 7.634 2.412 1.00 0.00 C ATOM 450 O ALA A 78 -7.099 8.760 2.729 1.00 0.00 O ATOM 451 CB ALA A 78 -7.693 5.734 3.777 1.00 0.00 C ATOM 0 H ALA A 78 -6.984 4.599 1.775 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.753 6.895 2.268 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.955 6.417 4.585 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.392 4.898 3.768 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.681 5.359 3.933 1.00 0.00 H new ATOM 457 N LEU A 79 -5.542 7.363 2.028 1.00 0.00 N ATOM 458 CA LEU A 79 -4.513 8.445 1.968 1.00 0.00 C ATOM 459 C LEU A 79 -4.752 9.320 0.737 1.00 0.00 C ATOM 460 O LEU A 79 -4.569 10.523 0.777 1.00 0.00 O ATOM 461 CB LEU A 79 -3.169 7.716 1.862 1.00 0.00 C ATOM 462 CG LEU A 79 -2.081 8.517 2.583 1.00 0.00 C ATOM 463 CD1 LEU A 79 -2.408 8.615 4.076 1.00 0.00 C ATOM 464 CD2 LEU A 79 -0.736 7.813 2.408 1.00 0.00 C ATOM 0 H LEU A 79 -5.212 6.438 1.753 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.546 9.100 2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.250 6.721 2.300 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.900 7.582 0.814 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.033 9.520 2.158 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.630 9.186 4.582 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.368 9.115 4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.460 7.614 4.504 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.041 8.381 2.920 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.792 6.810 2.832 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.496 7.745 1.347 1.00 0.00 H new ATOM 476 N GLN A 80 -5.169 8.724 -0.351 1.00 0.00 N ATOM 477 CA GLN A 80 -5.435 9.518 -1.587 1.00 0.00 C ATOM 478 C GLN A 80 -6.761 10.272 -1.454 1.00 0.00 C ATOM 479 O GLN A 80 -6.978 11.276 -2.105 1.00 0.00 O ATOM 480 CB GLN A 80 -5.509 8.491 -2.720 1.00 0.00 C ATOM 481 CG GLN A 80 -5.459 9.212 -4.068 1.00 0.00 C ATOM 482 CD GLN A 80 -5.740 8.213 -5.192 1.00 0.00 C ATOM 483 OE1 GLN A 80 -6.809 8.217 -5.770 1.00 0.00 O ATOM 484 NE2 GLN A 80 -4.819 7.351 -5.527 1.00 0.00 N ATOM 0 H GLN A 80 -5.337 7.721 -0.436 1.00 0.00 H new ATOM 0 HA GLN A 80 -4.662 10.264 -1.771 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -4.680 7.787 -2.641 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.429 7.911 -2.640 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -6.194 10.016 -4.090 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -4.481 9.671 -4.211 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -3.922 7.348 -5.041 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -4.996 6.680 -6.274 1.00 0.00 H new ATOM 493 N GLU A 81 -7.643 9.803 -0.606 1.00 0.00 N ATOM 494 CA GLU A 81 -8.946 10.503 -0.418 1.00 0.00 C ATOM 495 C GLU A 81 -8.760 11.685 0.536 1.00 0.00 C ATOM 496 O GLU A 81 -9.485 12.661 0.476 1.00 0.00 O ATOM 497 CB GLU A 81 -9.880 9.458 0.194 1.00 0.00 C ATOM 498 CG GLU A 81 -11.278 10.057 0.362 1.00 0.00 C ATOM 499 CD GLU A 81 -12.024 9.995 -0.972 1.00 0.00 C ATOM 500 OE1 GLU A 81 -12.594 8.956 -1.261 1.00 0.00 O ATOM 501 OE2 GLU A 81 -12.014 10.988 -1.681 1.00 0.00 O ATOM 0 H GLU A 81 -7.515 8.966 -0.037 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.346 10.899 -1.352 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.925 8.577 -0.446 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.494 9.132 1.160 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.830 9.509 1.125 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -11.204 11.090 0.702 1.00 0.00 H new ATOM 508 N GLU A 82 -7.786 11.606 1.410 1.00 0.00 N ATOM 509 CA GLU A 82 -7.541 12.725 2.366 1.00 0.00 C ATOM 510 C GLU A 82 -6.842 13.881 1.650 1.00 0.00 C ATOM 511 O GLU A 82 -7.174 15.034 1.859 1.00 0.00 O ATOM 512 CB GLU A 82 -6.637 12.139 3.453 1.00 0.00 C ATOM 513 CG GLU A 82 -7.492 11.677 4.635 1.00 0.00 C ATOM 514 CD GLU A 82 -6.609 11.524 5.874 1.00 0.00 C ATOM 515 OE1 GLU A 82 -5.765 10.643 5.872 1.00 0.00 O ATOM 516 OE2 GLU A 82 -6.794 12.288 6.807 1.00 0.00 O ATOM 0 H GLU A 82 -7.151 10.813 1.501 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.467 13.120 2.784 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.067 11.300 3.053 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.916 12.887 3.783 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -8.285 12.399 4.828 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.974 10.728 4.400 1.00 0.00 H new ATOM 523 N LYS A 83 -5.886 13.586 0.801 1.00 0.00 N ATOM 524 CA LYS A 83 -5.186 14.682 0.068 1.00 0.00 C ATOM 525 C LYS A 83 -6.154 15.338 -0.925 1.00 0.00 C ATOM 526 O LYS A 83 -5.996 16.488 -1.286 1.00 0.00 O ATOM 527 CB LYS A 83 -3.998 14.013 -0.647 1.00 0.00 C ATOM 528 CG LYS A 83 -4.490 13.048 -1.735 1.00 0.00 C ATOM 529 CD LYS A 83 -4.174 13.627 -3.119 1.00 0.00 C ATOM 530 CE LYS A 83 -4.073 12.492 -4.143 1.00 0.00 C ATOM 531 NZ LYS A 83 -2.611 12.279 -4.338 1.00 0.00 N ATOM 0 H LYS A 83 -5.564 12.642 0.587 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.836 15.473 0.731 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.360 14.776 -1.093 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -3.390 13.472 0.078 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.009 12.077 -1.618 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.563 12.887 -1.634 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.952 14.330 -3.416 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -3.238 14.184 -3.086 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.559 11.587 -3.778 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.561 12.761 -5.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.437 11.290 -4.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.265 12.911 -5.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.109 12.487 -3.452 1.00 0.00 H new ATOM 545 N HIS A 84 -7.163 14.615 -1.355 1.00 0.00 N ATOM 546 CA HIS A 84 -8.151 15.200 -2.308 1.00 0.00 C ATOM 547 C HIS A 84 -8.928 16.318 -1.613 1.00 0.00 C ATOM 548 O HIS A 84 -9.338 17.281 -2.233 1.00 0.00 O ATOM 549 CB HIS A 84 -9.086 14.048 -2.686 1.00 0.00 C ATOM 550 CG HIS A 84 -10.072 14.517 -3.719 1.00 0.00 C ATOM 551 ND1 HIS A 84 -9.671 15.067 -4.927 1.00 0.00 N ATOM 552 CD2 HIS A 84 -11.445 14.526 -3.740 1.00 0.00 C ATOM 553 CE1 HIS A 84 -10.783 15.380 -5.619 1.00 0.00 C ATOM 554 NE2 HIS A 84 -11.892 15.070 -4.941 1.00 0.00 N ATOM 0 H HIS A 84 -7.341 13.648 -1.086 1.00 0.00 H new ATOM 0 HA HIS A 84 -7.675 15.630 -3.189 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.508 13.210 -3.075 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.613 13.689 -1.802 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -12.082 14.166 -2.945 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -10.779 15.827 -6.602 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -12.858 15.203 -5.239 1.00 0.00 H new ATOM 562 N GLN A 85 -9.121 16.199 -0.323 1.00 0.00 N ATOM 563 CA GLN A 85 -9.862 17.259 0.427 1.00 0.00 C ATOM 564 C GLN A 85 -9.088 18.577 0.352 1.00 0.00 C ATOM 565 O GLN A 85 -9.666 19.648 0.350 1.00 0.00 O ATOM 566 CB GLN A 85 -9.939 16.758 1.873 1.00 0.00 C ATOM 567 CG GLN A 85 -11.339 16.208 2.155 1.00 0.00 C ATOM 568 CD GLN A 85 -11.580 14.959 1.304 1.00 0.00 C ATOM 569 OE1 GLN A 85 -11.280 13.858 1.721 1.00 0.00 O ATOM 570 NE2 GLN A 85 -12.117 15.084 0.121 1.00 0.00 N ATOM 0 H GLN A 85 -8.798 15.414 0.243 1.00 0.00 H new ATOM 0 HA GLN A 85 -10.855 17.441 0.017 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.193 15.981 2.039 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -9.712 17.571 2.562 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.439 15.965 3.213 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -12.090 16.965 1.930 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -12.369 16.008 -0.230 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -12.285 14.258 -0.453 1.00 0.00 H new ATOM 579 N LEU A 86 -7.781 18.500 0.283 1.00 0.00 N ATOM 580 CA LEU A 86 -6.958 19.744 0.197 1.00 0.00 C ATOM 581 C LEU A 86 -7.194 20.428 -1.151 1.00 0.00 C ATOM 582 O LEU A 86 -7.199 21.640 -1.250 1.00 0.00 O ATOM 583 CB LEU A 86 -5.503 19.275 0.318 1.00 0.00 C ATOM 584 CG LEU A 86 -4.729 20.228 1.235 1.00 0.00 C ATOM 585 CD1 LEU A 86 -3.720 19.432 2.065 1.00 0.00 C ATOM 586 CD2 LEU A 86 -3.984 21.263 0.386 1.00 0.00 C ATOM 0 H LEU A 86 -7.250 17.629 0.283 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.212 20.465 0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.469 18.262 0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.037 19.244 -0.667 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.427 20.737 1.900 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.170 20.110 2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.248 18.695 2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.023 18.923 1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.434 21.941 1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.287 20.754 -0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.701 21.832 -0.206 1.00 0.00 H new ATOM 598 N PHE A 87 -7.396 19.654 -2.188 1.00 0.00 N ATOM 599 CA PHE A 87 -7.641 20.250 -3.538 1.00 0.00 C ATOM 600 C PHE A 87 -8.917 21.094 -3.513 1.00 0.00 C ATOM 601 O PHE A 87 -9.001 22.127 -4.150 1.00 0.00 O ATOM 602 CB PHE A 87 -7.807 19.061 -4.486 1.00 0.00 C ATOM 603 CG PHE A 87 -6.457 18.640 -5.015 1.00 0.00 C ATOM 604 CD1 PHE A 87 -5.588 17.900 -4.206 1.00 0.00 C ATOM 605 CD2 PHE A 87 -6.076 18.989 -6.316 1.00 0.00 C ATOM 606 CE1 PHE A 87 -4.338 17.508 -4.698 1.00 0.00 C ATOM 607 CE2 PHE A 87 -4.825 18.598 -6.808 1.00 0.00 C ATOM 608 CZ PHE A 87 -3.956 17.856 -5.999 1.00 0.00 C ATOM 0 H PHE A 87 -7.402 18.634 -2.158 1.00 0.00 H new ATOM 0 HA PHE A 87 -6.826 20.903 -3.851 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -8.279 18.229 -3.963 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -8.464 19.331 -5.313 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -5.882 17.631 -3.202 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.747 19.560 -6.940 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -3.667 16.936 -4.073 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.530 18.869 -7.811 1.00 0.00 H new ATOM 0 HZ PHE A 87 -2.992 17.552 -6.378 1.00 0.00 H new ATOM 618 N LEU A 88 -9.905 20.660 -2.776 1.00 0.00 N ATOM 619 CA LEU A 88 -11.184 21.433 -2.696 1.00 0.00 C ATOM 620 C LEU A 88 -10.931 22.795 -2.047 1.00 0.00 C ATOM 621 O LEU A 88 -11.606 23.765 -2.336 1.00 0.00 O ATOM 622 CB LEU A 88 -12.115 20.586 -1.823 1.00 0.00 C ATOM 623 CG LEU A 88 -13.567 20.995 -2.078 1.00 0.00 C ATOM 624 CD1 LEU A 88 -14.126 20.190 -3.253 1.00 0.00 C ATOM 625 CD2 LEU A 88 -14.401 20.711 -0.826 1.00 0.00 C ATOM 0 H LEU A 88 -9.884 19.802 -2.224 1.00 0.00 H new ATOM 0 HA LEU A 88 -11.615 21.620 -3.680 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -11.979 19.528 -2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -11.867 20.722 -0.770 1.00 0.00 H new ATOM 0 HG LEU A 88 -13.609 22.058 -2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -15.160 20.482 -3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -13.532 20.388 -4.145 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -14.085 19.126 -3.018 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.436 21.002 -1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.358 19.647 -0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -14.004 21.282 0.013 1.00 0.00 H new ATOM 637 N GLN A 89 -9.960 22.870 -1.174 1.00 0.00 N ATOM 638 CA GLN A 89 -9.647 24.165 -0.499 1.00 0.00 C ATOM 639 C GLN A 89 -8.759 25.046 -1.393 1.00 0.00 C ATOM 640 O GLN A 89 -8.589 26.222 -1.132 1.00 0.00 O ATOM 641 CB GLN A 89 -8.899 23.775 0.777 1.00 0.00 C ATOM 642 CG GLN A 89 -9.871 23.114 1.756 1.00 0.00 C ATOM 643 CD GLN A 89 -9.137 22.033 2.553 1.00 0.00 C ATOM 644 OE1 GLN A 89 -9.602 20.915 2.653 1.00 0.00 O ATOM 645 NE2 GLN A 89 -8.002 22.322 3.128 1.00 0.00 N ATOM 0 H GLN A 89 -9.368 22.087 -0.898 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.548 24.742 -0.290 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.084 23.091 0.539 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -8.451 24.658 1.233 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -10.286 23.861 2.433 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -10.708 22.675 1.213 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.612 23.261 3.044 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -7.505 21.609 3.662 1.00 0.00 H new ATOM 654 N LEU A 90 -8.191 24.492 -2.443 1.00 0.00 N ATOM 655 CA LEU A 90 -7.313 25.304 -3.350 1.00 0.00 C ATOM 656 C LEU A 90 -8.049 26.565 -3.828 1.00 0.00 C ATOM 657 O LEU A 90 -9.197 26.442 -4.222 1.00 0.00 O ATOM 658 CB LEU A 90 -7.002 24.385 -4.536 1.00 0.00 C ATOM 659 CG LEU A 90 -6.079 25.107 -5.525 1.00 0.00 C ATOM 660 CD1 LEU A 90 -4.682 25.263 -4.915 1.00 0.00 C ATOM 661 CD2 LEU A 90 -5.987 24.291 -6.818 1.00 0.00 C ATOM 662 OXT LEU A 90 -7.450 27.626 -3.790 1.00 0.00 O ATOM 0 H LEU A 90 -8.298 23.513 -2.710 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.408 25.640 -2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.527 23.469 -4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.927 24.093 -5.034 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.484 26.095 -5.743 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.031 25.777 -5.623 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.749 25.845 -3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.270 24.279 -4.692 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.332 24.801 -7.524 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.583 23.303 -6.597 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.980 24.188 -7.255 1.00 0.00 H new ATOM 675 N GLY B 166 -8.636 29.967 -0.617 1.00 0.00 N ATOM 676 CA GLY B 166 -7.159 29.847 -0.786 1.00 0.00 C ATOM 677 C GLY B 166 -6.457 30.842 0.139 1.00 0.00 C ATOM 678 O GLY B 166 -7.092 31.572 0.876 1.00 0.00 O ATOM 0 HA2 GLY B 166 -6.837 28.831 -0.556 1.00 0.00 H new ATOM 0 HA3 GLY B 166 -6.884 30.042 -1.823 1.00 0.00 H new ATOM 684 N LEU B 167 -5.149 30.874 0.103 1.00 0.00 N ATOM 685 CA LEU B 167 -4.390 31.823 0.982 1.00 0.00 C ATOM 686 C LEU B 167 -3.582 32.776 0.102 1.00 0.00 C ATOM 687 O LEU B 167 -3.797 33.974 0.098 1.00 0.00 O ATOM 688 CB LEU B 167 -3.425 30.981 1.851 1.00 0.00 C ATOM 689 CG LEU B 167 -3.979 29.574 2.129 1.00 0.00 C ATOM 690 CD1 LEU B 167 -3.544 28.623 1.002 1.00 0.00 C ATOM 691 CD2 LEU B 167 -3.440 29.069 3.472 1.00 0.00 C ATOM 0 H LEU B 167 -4.571 30.285 -0.496 1.00 0.00 H new ATOM 0 HA LEU B 167 -5.066 32.402 1.611 1.00 0.00 H new ATOM 0 HB2 LEU B 167 -2.462 30.898 1.347 1.00 0.00 H new ATOM 0 HB3 LEU B 167 -3.247 31.494 2.796 1.00 0.00 H new ATOM 0 HG LEU B 167 -5.068 29.610 2.170 1.00 0.00 H new ATOM 0 HD11 LEU B 167 -3.936 27.625 1.197 1.00 0.00 H new ATOM 0 HD12 LEU B 167 -3.932 28.985 0.050 1.00 0.00 H new ATOM 0 HD13 LEU B 167 -2.456 28.584 0.959 1.00 0.00 H new ATOM 0 HD21 LEU B 167 -3.832 28.071 3.670 1.00 0.00 H new ATOM 0 HD22 LEU B 167 -2.351 29.030 3.436 1.00 0.00 H new ATOM 0 HD23 LEU B 167 -3.752 29.746 4.267 1.00 0.00 H new ATOM 703 N SER B 168 -2.655 32.239 -0.646 1.00 0.00 N ATOM 704 CA SER B 168 -1.818 33.082 -1.544 1.00 0.00 C ATOM 705 C SER B 168 -1.339 32.246 -2.730 1.00 0.00 C ATOM 706 O SER B 168 -0.246 32.428 -3.230 1.00 0.00 O ATOM 707 CB SER B 168 -0.634 33.526 -0.687 1.00 0.00 C ATOM 708 OG SER B 168 0.410 33.990 -1.533 1.00 0.00 O ATOM 0 H SER B 168 -2.441 31.242 -0.672 1.00 0.00 H new ATOM 0 HA SER B 168 -2.364 33.935 -1.946 1.00 0.00 H new ATOM 0 HB2 SER B 168 -0.942 34.317 -0.003 1.00 0.00 H new ATOM 0 HB3 SER B 168 -0.281 32.695 -0.076 1.00 0.00 H new ATOM 0 HG SER B 168 0.659 33.283 -2.164 1.00 0.00 H new ATOM 714 N LYS B 169 -2.151 31.312 -3.174 1.00 0.00 N ATOM 715 CA LYS B 169 -1.754 30.431 -4.320 1.00 0.00 C ATOM 716 C LYS B 169 -0.374 29.815 -4.057 1.00 0.00 C ATOM 717 O LYS B 169 0.357 29.482 -4.972 1.00 0.00 O ATOM 718 CB LYS B 169 -1.717 31.346 -5.549 1.00 0.00 C ATOM 719 CG LYS B 169 -1.709 30.499 -6.826 1.00 0.00 C ATOM 720 CD LYS B 169 -3.013 29.702 -6.926 1.00 0.00 C ATOM 721 CE LYS B 169 -3.266 29.317 -8.385 1.00 0.00 C ATOM 722 NZ LYS B 169 -4.104 30.418 -8.933 1.00 0.00 N ATOM 0 H LYS B 169 -3.076 31.122 -2.789 1.00 0.00 H new ATOM 0 HA LYS B 169 -2.450 29.604 -4.462 1.00 0.00 H new ATOM 0 HB2 LYS B 169 -2.582 32.009 -5.547 1.00 0.00 H new ATOM 0 HB3 LYS B 169 -0.830 31.979 -5.516 1.00 0.00 H new ATOM 0 HG2 LYS B 169 -1.597 31.142 -7.699 1.00 0.00 H new ATOM 0 HG3 LYS B 169 -0.856 29.820 -6.818 1.00 0.00 H new ATOM 0 HD2 LYS B 169 -2.952 28.806 -6.308 1.00 0.00 H new ATOM 0 HD3 LYS B 169 -3.844 30.296 -6.546 1.00 0.00 H new ATOM 0 HE2 LYS B 169 -2.330 29.221 -8.936 1.00 0.00 H new ATOM 0 HE3 LYS B 169 -3.778 28.358 -8.457 1.00 0.00 H new ATOM 0 HZ1 LYS B 169 -4.320 30.226 -9.932 1.00 0.00 H new ATOM 0 HZ2 LYS B 169 -4.991 30.481 -8.393 1.00 0.00 H new ATOM 0 HZ3 LYS B 169 -3.588 31.318 -8.857 1.00 0.00 H new ATOM 736 N GLU B 170 -0.019 29.666 -2.805 1.00 0.00 N ATOM 737 CA GLU B 170 1.305 29.081 -2.461 1.00 0.00 C ATOM 738 C GLU B 170 1.222 28.320 -1.138 1.00 0.00 C ATOM 739 O GLU B 170 1.752 27.232 -1.011 1.00 0.00 O ATOM 740 CB GLU B 170 2.252 30.275 -2.342 1.00 0.00 C ATOM 741 CG GLU B 170 3.694 29.807 -2.543 1.00 0.00 C ATOM 742 CD GLU B 170 3.994 29.700 -4.039 1.00 0.00 C ATOM 743 OE1 GLU B 170 3.929 30.717 -4.710 1.00 0.00 O ATOM 744 OE2 GLU B 170 4.282 28.602 -4.489 1.00 0.00 O ATOM 0 H GLU B 170 -0.595 29.927 -2.005 1.00 0.00 H new ATOM 0 HA GLU B 170 1.647 28.368 -3.211 1.00 0.00 H new ATOM 0 HB2 GLU B 170 1.997 31.030 -3.086 1.00 0.00 H new ATOM 0 HB3 GLU B 170 2.144 30.742 -1.363 1.00 0.00 H new ATOM 0 HG2 GLU B 170 4.384 30.508 -2.073 1.00 0.00 H new ATOM 0 HG3 GLU B 170 3.844 28.841 -2.062 1.00 0.00 H new ATOM 751 N GLU B 171 0.559 28.879 -0.152 1.00 0.00 N ATOM 752 CA GLU B 171 0.447 28.169 1.159 1.00 0.00 C ATOM 753 C GLU B 171 -0.295 26.846 0.966 1.00 0.00 C ATOM 754 O GLU B 171 0.081 25.827 1.515 1.00 0.00 O ATOM 755 CB GLU B 171 -0.337 29.112 2.074 1.00 0.00 C ATOM 756 CG GLU B 171 0.312 29.144 3.459 1.00 0.00 C ATOM 757 CD GLU B 171 1.435 30.184 3.475 1.00 0.00 C ATOM 758 OE1 GLU B 171 2.325 30.078 2.648 1.00 0.00 O ATOM 759 OE2 GLU B 171 1.385 31.068 4.315 1.00 0.00 O ATOM 0 H GLU B 171 0.096 29.787 -0.199 1.00 0.00 H new ATOM 0 HA GLU B 171 1.421 27.931 1.587 1.00 0.00 H new ATOM 0 HB2 GLU B 171 -0.357 30.115 1.648 1.00 0.00 H new ATOM 0 HB3 GLU B 171 -1.372 28.779 2.154 1.00 0.00 H new ATOM 0 HG2 GLU B 171 -0.434 29.387 4.216 1.00 0.00 H new ATOM 0 HG3 GLU B 171 0.710 28.160 3.708 1.00 0.00 H new ATOM 766 N LEU B 172 -1.328 26.854 0.165 1.00 0.00 N ATOM 767 CA LEU B 172 -2.083 25.594 -0.101 1.00 0.00 C ATOM 768 C LEU B 172 -1.274 24.729 -1.071 1.00 0.00 C ATOM 769 O LEU B 172 -1.357 23.515 -1.053 1.00 0.00 O ATOM 770 CB LEU B 172 -3.408 26.032 -0.737 1.00 0.00 C ATOM 771 CG LEU B 172 -4.564 25.748 0.227 1.00 0.00 C ATOM 772 CD1 LEU B 172 -5.832 26.445 -0.270 1.00 0.00 C ATOM 773 CD2 LEU B 172 -4.808 24.239 0.296 1.00 0.00 C ATOM 0 H LEU B 172 -1.682 27.680 -0.317 1.00 0.00 H new ATOM 0 HA LEU B 172 -2.260 25.009 0.801 1.00 0.00 H new ATOM 0 HB2 LEU B 172 -3.374 27.095 -0.975 1.00 0.00 H new ATOM 0 HB3 LEU B 172 -3.565 25.500 -1.675 1.00 0.00 H new ATOM 0 HG LEU B 172 -4.309 26.124 1.218 1.00 0.00 H new ATOM 0 HD11 LEU B 172 -6.653 26.241 0.418 1.00 0.00 H new ATOM 0 HD12 LEU B 172 -5.660 27.520 -0.321 1.00 0.00 H new ATOM 0 HD13 LEU B 172 -6.088 26.071 -1.261 1.00 0.00 H new ATOM 0 HD21 LEU B 172 -5.630 24.034 0.982 1.00 0.00 H new ATOM 0 HD22 LEU B 172 -5.061 23.866 -0.696 1.00 0.00 H new ATOM 0 HD23 LEU B 172 -3.906 23.741 0.652 1.00 0.00 H new ATOM 785 N ILE B 173 -0.482 25.354 -1.908 1.00 0.00 N ATOM 786 CA ILE B 173 0.352 24.584 -2.876 1.00 0.00 C ATOM 787 C ILE B 173 1.416 23.797 -2.109 1.00 0.00 C ATOM 788 O ILE B 173 1.825 22.727 -2.520 1.00 0.00 O ATOM 789 CB ILE B 173 1.008 25.635 -3.784 1.00 0.00 C ATOM 790 CG1 ILE B 173 -0.069 26.487 -4.479 1.00 0.00 C ATOM 791 CG2 ILE B 173 1.869 24.935 -4.840 1.00 0.00 C ATOM 792 CD1 ILE B 173 -0.987 25.602 -5.330 1.00 0.00 C ATOM 0 H ILE B 173 -0.379 26.367 -1.961 1.00 0.00 H new ATOM 0 HA ILE B 173 -0.234 23.871 -3.457 1.00 0.00 H new ATOM 0 HB ILE B 173 1.634 26.287 -3.174 1.00 0.00 H new ATOM 0 HG12 ILE B 173 -0.658 27.020 -3.732 1.00 0.00 H new ATOM 0 HG13 ILE B 173 0.405 27.241 -5.108 1.00 0.00 H new ATOM 0 HG21 ILE B 173 2.334 25.682 -5.484 1.00 0.00 H new ATOM 0 HG22 ILE B 173 2.644 24.348 -4.347 1.00 0.00 H new ATOM 0 HG23 ILE B 173 1.243 24.277 -5.442 1.00 0.00 H new ATOM 0 HD11 ILE B 173 -1.742 26.221 -5.814 1.00 0.00 H new ATOM 0 HD12 ILE B 173 -0.397 25.090 -6.090 1.00 0.00 H new ATOM 0 HD13 ILE B 173 -1.476 24.865 -4.692 1.00 0.00 H new ATOM 804 N GLN B 174 1.861 24.322 -0.993 1.00 0.00 N ATOM 805 CA GLN B 174 2.897 23.606 -0.189 1.00 0.00 C ATOM 806 C GLN B 174 2.254 22.436 0.556 1.00 0.00 C ATOM 807 O GLN B 174 2.869 21.407 0.765 1.00 0.00 O ATOM 808 CB GLN B 174 3.432 24.645 0.799 1.00 0.00 C ATOM 809 CG GLN B 174 4.925 24.407 1.033 1.00 0.00 C ATOM 810 CD GLN B 174 5.546 25.649 1.673 1.00 0.00 C ATOM 811 OE1 GLN B 174 4.872 26.398 2.352 1.00 0.00 O ATOM 812 NE2 GLN B 174 6.812 25.903 1.484 1.00 0.00 N ATOM 0 H GLN B 174 1.552 25.214 -0.606 1.00 0.00 H new ATOM 0 HA GLN B 174 3.694 23.196 -0.809 1.00 0.00 H new ATOM 0 HB2 GLN B 174 3.270 25.650 0.409 1.00 0.00 H new ATOM 0 HB3 GLN B 174 2.890 24.578 1.742 1.00 0.00 H new ATOM 0 HG2 GLN B 174 5.069 23.541 1.679 1.00 0.00 H new ATOM 0 HG3 GLN B 174 5.421 24.185 0.088 1.00 0.00 H new ATOM 0 HE21 GLN B 174 7.379 25.275 0.914 1.00 0.00 H new ATOM 0 HE22 GLN B 174 7.235 26.730 1.906 1.00 0.00 H new ATOM 821 N ASN B 175 1.016 22.587 0.947 1.00 0.00 N ATOM 822 CA ASN B 175 0.314 21.485 1.670 1.00 0.00 C ATOM 823 C ASN B 175 -0.039 20.371 0.686 1.00 0.00 C ATOM 824 O ASN B 175 -0.010 19.201 1.018 1.00 0.00 O ATOM 825 CB ASN B 175 -0.953 22.121 2.244 1.00 0.00 C ATOM 826 CG ASN B 175 -0.578 23.063 3.390 1.00 0.00 C ATOM 827 OD1 ASN B 175 0.420 22.863 4.053 1.00 0.00 O ATOM 828 ND2 ASN B 175 -1.343 24.087 3.653 1.00 0.00 N ATOM 0 H ASN B 175 0.459 23.428 0.797 1.00 0.00 H new ATOM 0 HA ASN B 175 0.928 21.043 2.454 1.00 0.00 H new ATOM 0 HB2 ASN B 175 -1.481 22.671 1.465 1.00 0.00 H new ATOM 0 HB3 ASN B 175 -1.631 21.346 2.603 1.00 0.00 H new ATOM 0 HD21 ASN B 175 -1.103 24.720 4.416 1.00 0.00 H new ATOM 0 HD22 ASN B 175 -2.181 24.254 3.096 1.00 0.00 H new ATOM 835 N MET B 176 -0.366 20.734 -0.528 1.00 0.00 N ATOM 836 CA MET B 176 -0.717 19.706 -1.554 1.00 0.00 C ATOM 837 C MET B 176 0.519 18.876 -1.906 1.00 0.00 C ATOM 838 O MET B 176 0.418 17.717 -2.260 1.00 0.00 O ATOM 839 CB MET B 176 -1.194 20.499 -2.774 1.00 0.00 C ATOM 840 CG MET B 176 -2.717 20.682 -2.711 1.00 0.00 C ATOM 841 SD MET B 176 -3.422 20.534 -4.373 1.00 0.00 S ATOM 842 CE MET B 176 -4.583 21.915 -4.247 1.00 0.00 C ATOM 0 H MET B 176 -0.405 21.700 -0.854 1.00 0.00 H new ATOM 0 HA MET B 176 -1.480 19.014 -1.199 1.00 0.00 H new ATOM 0 HB2 MET B 176 -0.702 21.471 -2.802 1.00 0.00 H new ATOM 0 HB3 MET B 176 -0.919 19.976 -3.690 1.00 0.00 H new ATOM 0 HG2 MET B 176 -3.156 19.933 -2.052 1.00 0.00 H new ATOM 0 HG3 MET B 176 -2.958 21.658 -2.289 1.00 0.00 H new ATOM 0 HE1 MET B 176 -5.344 21.822 -5.022 1.00 0.00 H new ATOM 0 HE2 MET B 176 -5.059 21.902 -3.267 1.00 0.00 H new ATOM 0 HE3 MET B 176 -4.046 22.855 -4.377 1.00 0.00 H new ATOM 852 N ASP B 177 1.684 19.464 -1.806 1.00 0.00 N ATOM 853 CA ASP B 177 2.935 18.714 -2.127 1.00 0.00 C ATOM 854 C ASP B 177 3.298 17.775 -0.972 1.00 0.00 C ATOM 855 O ASP B 177 3.963 16.774 -1.163 1.00 0.00 O ATOM 856 CB ASP B 177 4.012 19.786 -2.305 1.00 0.00 C ATOM 857 CG ASP B 177 3.938 20.353 -3.724 1.00 0.00 C ATOM 858 OD1 ASP B 177 3.904 19.566 -4.654 1.00 0.00 O ATOM 859 OD2 ASP B 177 3.916 21.566 -3.855 1.00 0.00 O ATOM 0 H ASP B 177 1.823 20.432 -1.516 1.00 0.00 H new ATOM 0 HA ASP B 177 2.827 18.097 -3.019 1.00 0.00 H new ATOM 0 HB2 ASP B 177 3.870 20.583 -1.576 1.00 0.00 H new ATOM 0 HB3 ASP B 177 4.998 19.359 -2.123 1.00 0.00 H new ATOM 864 N ARG B 178 2.865 18.093 0.223 1.00 0.00 N ATOM 865 CA ARG B 178 3.181 17.222 1.395 1.00 0.00 C ATOM 866 C ARG B 178 2.272 15.992 1.399 1.00 0.00 C ATOM 867 O ARG B 178 2.662 14.928 1.844 1.00 0.00 O ATOM 868 CB ARG B 178 2.915 18.093 2.625 1.00 0.00 C ATOM 869 CG ARG B 178 3.406 17.370 3.883 1.00 0.00 C ATOM 870 CD ARG B 178 2.232 16.651 4.554 1.00 0.00 C ATOM 871 NE ARG B 178 1.376 17.740 5.099 1.00 0.00 N ATOM 872 CZ ARG B 178 1.396 18.009 6.375 1.00 0.00 C ATOM 873 NH1 ARG B 178 0.575 17.398 7.185 1.00 0.00 N ATOM 874 NH2 ARG B 178 2.236 18.892 6.843 1.00 0.00 N ATOM 0 H ARG B 178 2.306 18.919 0.437 1.00 0.00 H new ATOM 0 HA ARG B 178 4.208 16.857 1.372 1.00 0.00 H new ATOM 0 HB2 ARG B 178 3.425 19.051 2.522 1.00 0.00 H new ATOM 0 HB3 ARG B 178 1.849 18.306 2.708 1.00 0.00 H new ATOM 0 HG2 ARG B 178 4.184 16.652 3.622 1.00 0.00 H new ATOM 0 HG3 ARG B 178 3.851 18.085 4.575 1.00 0.00 H new ATOM 0 HD2 ARG B 178 1.684 16.038 3.839 1.00 0.00 H new ATOM 0 HD3 ARG B 178 2.577 15.986 5.346 1.00 0.00 H new ATOM 0 HE ARG B 178 0.774 18.276 4.474 1.00 0.00 H new ATOM 0 HH11 ARG B 178 -0.083 16.709 6.820 1.00 0.00 H new ATOM 0 HH12 ARG B 178 0.592 17.609 8.183 1.00 0.00 H new ATOM 0 HH21 ARG B 178 2.877 19.372 6.211 1.00 0.00 H new ATOM 0 HH22 ARG B 178 2.252 19.102 7.841 1.00 0.00 H new ATOM 888 N VAL B 179 1.066 16.129 0.908 1.00 0.00 N ATOM 889 CA VAL B 179 0.131 14.961 0.884 1.00 0.00 C ATOM 890 C VAL B 179 0.499 14.009 -0.259 1.00 0.00 C ATOM 891 O VAL B 179 0.203 12.830 -0.209 1.00 0.00 O ATOM 892 CB VAL B 179 -1.268 15.554 0.677 1.00 0.00 C ATOM 893 CG1 VAL B 179 -1.607 16.480 1.847 1.00 0.00 C ATOM 894 CG2 VAL B 179 -1.319 16.352 -0.631 1.00 0.00 C ATOM 0 H VAL B 179 0.689 16.995 0.524 1.00 0.00 H new ATOM 0 HA VAL B 179 0.181 14.380 1.805 1.00 0.00 H new ATOM 0 HB VAL B 179 -1.992 14.741 0.626 1.00 0.00 H new ATOM 0 HG11 VAL B 179 -2.601 16.902 1.701 1.00 0.00 H new ATOM 0 HG12 VAL B 179 -1.587 15.913 2.778 1.00 0.00 H new ATOM 0 HG13 VAL B 179 -0.875 17.286 1.897 1.00 0.00 H new ATOM 0 HG21 VAL B 179 -2.318 16.767 -0.765 1.00 0.00 H new ATOM 0 HG22 VAL B 179 -0.591 17.163 -0.591 1.00 0.00 H new ATOM 0 HG23 VAL B 179 -1.084 15.694 -1.468 1.00 0.00 H new ATOM 904 N ASP B 180 1.148 14.507 -1.282 1.00 0.00 N ATOM 905 CA ASP B 180 1.541 13.627 -2.423 1.00 0.00 C ATOM 906 C ASP B 180 2.836 12.888 -2.086 1.00 0.00 C ATOM 907 O ASP B 180 3.068 11.785 -2.545 1.00 0.00 O ATOM 908 CB ASP B 180 1.751 14.574 -3.605 1.00 0.00 C ATOM 909 CG ASP B 180 1.377 13.859 -4.905 1.00 0.00 C ATOM 910 OD1 ASP B 180 1.747 12.706 -5.051 1.00 0.00 O ATOM 911 OD2 ASP B 180 0.728 14.478 -5.732 1.00 0.00 O ATOM 0 H ASP B 180 1.422 15.485 -1.375 1.00 0.00 H new ATOM 0 HA ASP B 180 0.788 12.870 -2.644 1.00 0.00 H new ATOM 0 HB2 ASP B 180 1.140 15.468 -3.481 1.00 0.00 H new ATOM 0 HB3 ASP B 180 2.790 14.900 -3.643 1.00 0.00 H new ATOM 916 N ARG B 181 3.675 13.488 -1.281 1.00 0.00 N ATOM 917 CA ARG B 181 4.957 12.823 -0.899 1.00 0.00 C ATOM 918 C ARG B 181 4.691 11.753 0.163 1.00 0.00 C ATOM 919 O ARG B 181 5.411 10.776 0.263 1.00 0.00 O ATOM 920 CB ARG B 181 5.835 13.939 -0.332 1.00 0.00 C ATOM 921 CG ARG B 181 6.751 14.479 -1.433 1.00 0.00 C ATOM 922 CD ARG B 181 7.086 15.944 -1.146 1.00 0.00 C ATOM 923 NE ARG B 181 8.180 16.282 -2.100 1.00 0.00 N ATOM 924 CZ ARG B 181 8.081 17.340 -2.856 1.00 0.00 C ATOM 925 NH1 ARG B 181 7.296 17.326 -3.899 1.00 0.00 N ATOM 926 NH2 ARG B 181 8.768 18.412 -2.570 1.00 0.00 N ATOM 0 H ARG B 181 3.527 14.410 -0.871 1.00 0.00 H new ATOM 0 HA ARG B 181 5.435 12.326 -1.743 1.00 0.00 H new ATOM 0 HB2 ARG B 181 5.212 14.741 0.063 1.00 0.00 H new ATOM 0 HB3 ARG B 181 6.431 13.561 0.498 1.00 0.00 H new ATOM 0 HG2 ARG B 181 7.666 13.889 -1.482 1.00 0.00 H new ATOM 0 HG3 ARG B 181 6.262 14.390 -2.403 1.00 0.00 H new ATOM 0 HD2 ARG B 181 6.217 16.585 -1.298 1.00 0.00 H new ATOM 0 HD3 ARG B 181 7.406 16.081 -0.113 1.00 0.00 H new ATOM 0 HE ARG B 181 9.006 15.686 -2.162 1.00 0.00 H new ATOM 0 HH11 ARG B 181 6.760 16.488 -4.123 1.00 0.00 H new ATOM 0 HH12 ARG B 181 7.219 18.154 -4.490 1.00 0.00 H new ATOM 0 HH21 ARG B 181 9.382 18.422 -1.756 1.00 0.00 H new ATOM 0 HH22 ARG B 181 8.691 19.240 -3.161 1.00 0.00 H new ATOM 940 N GLU B 182 3.660 11.928 0.952 1.00 0.00 N ATOM 941 CA GLU B 182 3.341 10.918 2.005 1.00 0.00 C ATOM 942 C GLU B 182 2.660 9.704 1.376 1.00 0.00 C ATOM 943 O GLU B 182 2.858 8.581 1.801 1.00 0.00 O ATOM 944 CB GLU B 182 2.390 11.629 2.970 1.00 0.00 C ATOM 945 CG GLU B 182 2.571 11.061 4.378 1.00 0.00 C ATOM 946 CD GLU B 182 3.821 11.668 5.017 1.00 0.00 C ATOM 947 OE1 GLU B 182 4.029 12.858 4.849 1.00 0.00 O ATOM 948 OE2 GLU B 182 4.549 10.932 5.664 1.00 0.00 O ATOM 0 H GLU B 182 3.026 12.726 0.912 1.00 0.00 H new ATOM 0 HA GLU B 182 4.234 10.556 2.514 1.00 0.00 H new ATOM 0 HB2 GLU B 182 2.590 12.701 2.970 1.00 0.00 H new ATOM 0 HB3 GLU B 182 1.358 11.497 2.643 1.00 0.00 H new ATOM 0 HG2 GLU B 182 1.694 11.283 4.987 1.00 0.00 H new ATOM 0 HG3 GLU B 182 2.662 9.976 4.335 1.00 0.00 H new ATOM 955 N ILE B 183 1.866 9.921 0.359 1.00 0.00 N ATOM 956 CA ILE B 183 1.175 8.778 -0.310 1.00 0.00 C ATOM 957 C ILE B 183 2.180 7.993 -1.160 1.00 0.00 C ATOM 958 O ILE B 183 2.022 6.807 -1.382 1.00 0.00 O ATOM 959 CB ILE B 183 0.087 9.416 -1.181 1.00 0.00 C ATOM 960 CG1 ILE B 183 -0.889 10.180 -0.284 1.00 0.00 C ATOM 961 CG2 ILE B 183 -0.677 8.326 -1.939 1.00 0.00 C ATOM 962 CD1 ILE B 183 -1.740 11.121 -1.136 1.00 0.00 C ATOM 0 H ILE B 183 1.666 10.840 -0.037 1.00 0.00 H new ATOM 0 HA ILE B 183 0.745 8.073 0.401 1.00 0.00 H new ATOM 0 HB ILE B 183 0.549 10.097 -1.896 1.00 0.00 H new ATOM 0 HG12 ILE B 183 -1.529 9.480 0.253 1.00 0.00 H new ATOM 0 HG13 ILE B 183 -0.340 10.749 0.466 1.00 0.00 H new ATOM 0 HG21 ILE B 183 -1.449 8.785 -2.556 1.00 0.00 H new ATOM 0 HG22 ILE B 183 0.014 7.772 -2.574 1.00 0.00 H new ATOM 0 HG23 ILE B 183 -1.140 7.644 -1.226 1.00 0.00 H new ATOM 0 HD11 ILE B 183 -2.434 11.664 -0.495 1.00 0.00 H new ATOM 0 HD12 ILE B 183 -1.093 11.830 -1.652 1.00 0.00 H new ATOM 0 HD13 ILE B 183 -2.301 10.541 -1.869 1.00 0.00 H new ATOM 974 N THR B 184 3.219 8.644 -1.622 1.00 0.00 N ATOM 975 CA THR B 184 4.246 7.934 -2.444 1.00 0.00 C ATOM 976 C THR B 184 5.059 6.998 -1.550 1.00 0.00 C ATOM 977 O THR B 184 5.509 5.952 -1.980 1.00 0.00 O ATOM 978 CB THR B 184 5.137 9.037 -3.021 1.00 0.00 C ATOM 979 OG1 THR B 184 4.327 10.011 -3.664 1.00 0.00 O ATOM 980 CG2 THR B 184 6.111 8.432 -4.034 1.00 0.00 C ATOM 0 H THR B 184 3.400 9.636 -1.465 1.00 0.00 H new ATOM 0 HA THR B 184 3.802 7.327 -3.233 1.00 0.00 H new ATOM 0 HB THR B 184 5.700 9.507 -2.215 1.00 0.00 H new ATOM 0 HG1 THR B 184 4.155 10.752 -3.047 1.00 0.00 H new ATOM 0 HG21 THR B 184 6.745 9.218 -4.444 1.00 0.00 H new ATOM 0 HG22 THR B 184 6.733 7.686 -3.540 1.00 0.00 H new ATOM 0 HG23 THR B 184 5.550 7.960 -4.841 1.00 0.00 H new ATOM 988 N MET B 185 5.238 7.362 -0.304 1.00 0.00 N ATOM 989 CA MET B 185 6.011 6.490 0.629 1.00 0.00 C ATOM 990 C MET B 185 5.161 5.280 1.019 1.00 0.00 C ATOM 991 O MET B 185 5.631 4.157 1.026 1.00 0.00 O ATOM 992 CB MET B 185 6.302 7.362 1.853 1.00 0.00 C ATOM 993 CG MET B 185 7.725 7.916 1.762 1.00 0.00 C ATOM 994 SD MET B 185 7.825 9.104 0.400 1.00 0.00 S ATOM 995 CE MET B 185 9.561 9.560 0.623 1.00 0.00 C ATOM 0 H MET B 185 4.882 8.225 0.106 1.00 0.00 H new ATOM 0 HA MET B 185 6.931 6.113 0.182 1.00 0.00 H new ATOM 0 HB2 MET B 185 5.585 8.181 1.907 1.00 0.00 H new ATOM 0 HB3 MET B 185 6.187 6.776 2.765 1.00 0.00 H new ATOM 0 HG2 MET B 185 7.999 8.398 2.700 1.00 0.00 H new ATOM 0 HG3 MET B 185 8.433 7.103 1.602 1.00 0.00 H new ATOM 0 HE1 MET B 185 9.842 10.299 -0.128 1.00 0.00 H new ATOM 0 HE2 MET B 185 9.701 9.982 1.618 1.00 0.00 H new ATOM 0 HE3 MET B 185 10.187 8.674 0.513 1.00 0.00 H new ATOM 1005 N VAL B 186 3.910 5.503 1.329 1.00 0.00 N ATOM 1006 CA VAL B 186 3.013 4.369 1.706 1.00 0.00 C ATOM 1007 C VAL B 186 2.704 3.534 0.462 1.00 0.00 C ATOM 1008 O VAL B 186 2.524 2.333 0.537 1.00 0.00 O ATOM 1009 CB VAL B 186 1.739 5.020 2.255 1.00 0.00 C ATOM 1010 CG1 VAL B 186 0.738 3.936 2.661 1.00 0.00 C ATOM 1011 CG2 VAL B 186 2.088 5.870 3.480 1.00 0.00 C ATOM 0 H VAL B 186 3.470 6.423 1.337 1.00 0.00 H new ATOM 0 HA VAL B 186 3.464 3.704 2.443 1.00 0.00 H new ATOM 0 HB VAL B 186 1.297 5.651 1.484 1.00 0.00 H new ATOM 0 HG11 VAL B 186 -0.166 4.403 3.051 1.00 0.00 H new ATOM 0 HG12 VAL B 186 0.487 3.329 1.791 1.00 0.00 H new ATOM 0 HG13 VAL B 186 1.180 3.303 3.430 1.00 0.00 H new ATOM 0 HG21 VAL B 186 1.182 6.334 3.871 1.00 0.00 H new ATOM 0 HG22 VAL B 186 2.532 5.237 4.248 1.00 0.00 H new ATOM 0 HG23 VAL B 186 2.798 6.646 3.194 1.00 0.00 H new ATOM 1021 N GLU B 187 2.652 4.167 -0.682 1.00 0.00 N ATOM 1022 CA GLU B 187 2.365 3.420 -1.945 1.00 0.00 C ATOM 1023 C GLU B 187 3.586 2.588 -2.344 1.00 0.00 C ATOM 1024 O GLU B 187 3.463 1.550 -2.967 1.00 0.00 O ATOM 1025 CB GLU B 187 2.079 4.499 -2.994 1.00 0.00 C ATOM 1026 CG GLU B 187 1.717 3.836 -4.324 1.00 0.00 C ATOM 1027 CD GLU B 187 1.330 4.912 -5.342 1.00 0.00 C ATOM 1028 OE1 GLU B 187 0.261 5.479 -5.196 1.00 0.00 O ATOM 1029 OE2 GLU B 187 2.112 5.149 -6.248 1.00 0.00 O ATOM 0 H GLU B 187 2.796 5.170 -0.797 1.00 0.00 H new ATOM 0 HA GLU B 187 1.527 2.731 -1.840 1.00 0.00 H new ATOM 0 HB2 GLU B 187 1.262 5.138 -2.660 1.00 0.00 H new ATOM 0 HB3 GLU B 187 2.952 5.139 -3.120 1.00 0.00 H new ATOM 0 HG2 GLU B 187 2.562 3.256 -4.695 1.00 0.00 H new ATOM 0 HG3 GLU B 187 0.890 3.140 -4.182 1.00 0.00 H new ATOM 1036 N GLN B 188 4.762 3.039 -1.984 1.00 0.00 N ATOM 1037 CA GLN B 188 5.999 2.278 -2.335 1.00 0.00 C ATOM 1038 C GLN B 188 6.095 1.015 -1.477 1.00 0.00 C ATOM 1039 O GLN B 188 6.605 -0.002 -1.909 1.00 0.00 O ATOM 1040 CB GLN B 188 7.158 3.229 -2.028 1.00 0.00 C ATOM 1041 CG GLN B 188 8.471 2.641 -2.560 1.00 0.00 C ATOM 1042 CD GLN B 188 8.395 2.475 -4.082 1.00 0.00 C ATOM 1043 OE1 GLN B 188 8.817 1.468 -4.615 1.00 0.00 O ATOM 1044 NE2 GLN B 188 7.871 3.424 -4.810 1.00 0.00 N ATOM 0 H GLN B 188 4.918 3.901 -1.462 1.00 0.00 H new ATOM 0 HA GLN B 188 6.007 1.959 -3.377 1.00 0.00 H new ATOM 0 HB2 GLN B 188 6.973 4.201 -2.485 1.00 0.00 H new ATOM 0 HB3 GLN B 188 7.231 3.391 -0.953 1.00 0.00 H new ATOM 0 HG2 GLN B 188 9.303 3.294 -2.299 1.00 0.00 H new ATOM 0 HG3 GLN B 188 8.663 1.676 -2.090 1.00 0.00 H new ATOM 0 HE21 GLN B 188 7.516 4.271 -4.366 1.00 0.00 H new ATOM 0 HE22 GLN B 188 7.817 3.319 -5.823 1.00 0.00 H new ATOM 1053 N GLN B 189 5.604 1.077 -0.268 1.00 0.00 N ATOM 1054 CA GLN B 189 5.656 -0.117 0.630 1.00 0.00 C ATOM 1055 C GLN B 189 4.707 -1.200 0.115 1.00 0.00 C ATOM 1056 O GLN B 189 4.939 -2.380 0.300 1.00 0.00 O ATOM 1057 CB GLN B 189 5.201 0.388 2.002 1.00 0.00 C ATOM 1058 CG GLN B 189 5.773 -0.514 3.108 1.00 0.00 C ATOM 1059 CD GLN B 189 6.598 0.324 4.090 1.00 0.00 C ATOM 1060 OE1 GLN B 189 6.502 0.147 5.288 1.00 0.00 O ATOM 1061 NE2 GLN B 189 7.409 1.235 3.628 1.00 0.00 N ATOM 0 H GLN B 189 5.168 1.904 0.139 1.00 0.00 H new ATOM 0 HA GLN B 189 6.652 -0.557 0.673 1.00 0.00 H new ATOM 0 HB2 GLN B 189 5.534 1.415 2.150 1.00 0.00 H new ATOM 0 HB3 GLN B 189 4.112 0.396 2.054 1.00 0.00 H new ATOM 0 HG2 GLN B 189 4.962 -1.015 3.636 1.00 0.00 H new ATOM 0 HG3 GLN B 189 6.396 -1.293 2.668 1.00 0.00 H new ATOM 0 HE21 GLN B 189 7.489 1.383 2.622 1.00 0.00 H new ATOM 0 HE22 GLN B 189 7.963 1.799 4.273 1.00 0.00 H new ATOM 1070 N ILE B 190 3.642 -0.804 -0.535 1.00 0.00 N ATOM 1071 CA ILE B 190 2.672 -1.806 -1.072 1.00 0.00 C ATOM 1072 C ILE B 190 3.268 -2.496 -2.301 1.00 0.00 C ATOM 1073 O ILE B 190 2.987 -3.648 -2.574 1.00 0.00 O ATOM 1074 CB ILE B 190 1.421 -1.000 -1.444 1.00 0.00 C ATOM 1075 CG1 ILE B 190 0.874 -0.309 -0.191 1.00 0.00 C ATOM 1076 CG2 ILE B 190 0.353 -1.938 -2.014 1.00 0.00 C ATOM 1077 CD1 ILE B 190 -0.308 0.590 -0.563 1.00 0.00 C ATOM 0 H ILE B 190 3.402 0.171 -0.717 1.00 0.00 H new ATOM 0 HA ILE B 190 2.438 -2.589 -0.351 1.00 0.00 H new ATOM 0 HB ILE B 190 1.681 -0.252 -2.193 1.00 0.00 H new ATOM 0 HG12 ILE B 190 0.558 -1.056 0.538 1.00 0.00 H new ATOM 0 HG13 ILE B 190 1.659 0.284 0.279 1.00 0.00 H new ATOM 0 HG21 ILE B 190 -0.534 -1.362 -2.277 1.00 0.00 H new ATOM 0 HG22 ILE B 190 0.741 -2.433 -2.904 1.00 0.00 H new ATOM 0 HG23 ILE B 190 0.091 -2.687 -1.267 1.00 0.00 H new ATOM 0 HD11 ILE B 190 -0.691 1.077 0.334 1.00 0.00 H new ATOM 0 HD12 ILE B 190 0.021 1.347 -1.275 1.00 0.00 H new ATOM 0 HD13 ILE B 190 -1.097 -0.013 -1.013 1.00 0.00 H new ATOM 1089 N SER B 191 4.101 -1.800 -3.034 1.00 0.00 N ATOM 1090 CA SER B 191 4.734 -2.414 -4.241 1.00 0.00 C ATOM 1091 C SER B 191 5.771 -3.446 -3.804 1.00 0.00 C ATOM 1092 O SER B 191 5.883 -4.511 -4.380 1.00 0.00 O ATOM 1093 CB SER B 191 5.403 -1.255 -4.981 1.00 0.00 C ATOM 1094 OG SER B 191 6.472 -0.750 -4.192 1.00 0.00 O ATOM 0 H SER B 191 4.370 -0.834 -2.849 1.00 0.00 H new ATOM 0 HA SER B 191 4.012 -2.927 -4.876 1.00 0.00 H new ATOM 0 HB2 SER B 191 5.777 -1.593 -5.948 1.00 0.00 H new ATOM 0 HB3 SER B 191 4.677 -0.466 -5.178 1.00 0.00 H new ATOM 0 HG SER B 191 6.180 -0.666 -3.260 1.00 0.00 H new ATOM 1100 N LYS B 192 6.522 -3.140 -2.775 1.00 0.00 N ATOM 1101 CA LYS B 192 7.547 -4.104 -2.281 1.00 0.00 C ATOM 1102 C LYS B 192 6.850 -5.286 -1.602 1.00 0.00 C ATOM 1103 O LYS B 192 7.341 -6.399 -1.615 1.00 0.00 O ATOM 1104 CB LYS B 192 8.391 -3.319 -1.273 1.00 0.00 C ATOM 1105 CG LYS B 192 9.070 -2.143 -1.981 1.00 0.00 C ATOM 1106 CD LYS B 192 10.442 -1.891 -1.352 1.00 0.00 C ATOM 1107 CE LYS B 192 11.383 -3.048 -1.699 1.00 0.00 C ATOM 1108 NZ LYS B 192 12.147 -2.577 -2.887 1.00 0.00 N ATOM 0 H LYS B 192 6.468 -2.263 -2.257 1.00 0.00 H new ATOM 0 HA LYS B 192 8.163 -4.507 -3.084 1.00 0.00 H new ATOM 0 HB2 LYS B 192 7.761 -2.954 -0.461 1.00 0.00 H new ATOM 0 HB3 LYS B 192 9.142 -3.971 -0.826 1.00 0.00 H new ATOM 0 HG2 LYS B 192 9.180 -2.359 -3.044 1.00 0.00 H new ATOM 0 HG3 LYS B 192 8.451 -1.249 -1.899 1.00 0.00 H new ATOM 0 HD2 LYS B 192 10.854 -0.951 -1.718 1.00 0.00 H new ATOM 0 HD3 LYS B 192 10.346 -1.798 -0.270 1.00 0.00 H new ATOM 0 HE2 LYS B 192 12.049 -3.279 -0.867 1.00 0.00 H new ATOM 0 HE3 LYS B 192 10.825 -3.957 -1.923 1.00 0.00 H new ATOM 0 HZ1 LYS B 192 12.815 -3.316 -3.186 1.00 0.00 H new ATOM 0 HZ2 LYS B 192 11.488 -2.371 -3.665 1.00 0.00 H new ATOM 0 HZ3 LYS B 192 12.673 -1.714 -2.642 1.00 0.00 H new ATOM 1122 N LEU B 193 5.700 -5.048 -1.020 1.00 0.00 N ATOM 1123 CA LEU B 193 4.952 -6.154 -0.348 1.00 0.00 C ATOM 1124 C LEU B 193 4.386 -7.101 -1.409 1.00 0.00 C ATOM 1125 O LEU B 193 4.365 -8.305 -1.232 1.00 0.00 O ATOM 1126 CB LEU B 193 3.819 -5.470 0.433 1.00 0.00 C ATOM 1127 CG LEU B 193 3.972 -5.760 1.929 1.00 0.00 C ATOM 1128 CD1 LEU B 193 3.331 -4.631 2.738 1.00 0.00 C ATOM 1129 CD2 LEU B 193 3.278 -7.082 2.265 1.00 0.00 C ATOM 0 H LEU B 193 5.247 -4.135 -0.982 1.00 0.00 H new ATOM 0 HA LEU B 193 5.585 -6.745 0.314 1.00 0.00 H new ATOM 0 HB2 LEU B 193 3.842 -4.394 0.257 1.00 0.00 H new ATOM 0 HB3 LEU B 193 2.853 -5.830 0.080 1.00 0.00 H new ATOM 0 HG LEU B 193 5.031 -5.829 2.178 1.00 0.00 H new ATOM 0 HD11 LEU B 193 3.441 -4.839 3.802 1.00 0.00 H new ATOM 0 HD12 LEU B 193 3.823 -3.688 2.500 1.00 0.00 H new ATOM 0 HD13 LEU B 193 2.272 -4.561 2.489 1.00 0.00 H new ATOM 0 HD21 LEU B 193 3.386 -7.289 3.330 1.00 0.00 H new ATOM 0 HD22 LEU B 193 2.219 -7.011 2.015 1.00 0.00 H new ATOM 0 HD23 LEU B 193 3.733 -7.888 1.690 1.00 0.00 H new ATOM 1141 N LYS B 194 3.937 -6.561 -2.516 1.00 0.00 N ATOM 1142 CA LYS B 194 3.381 -7.425 -3.602 1.00 0.00 C ATOM 1143 C LYS B 194 4.484 -8.332 -4.147 1.00 0.00 C ATOM 1144 O LYS B 194 4.272 -9.507 -4.381 1.00 0.00 O ATOM 1145 CB LYS B 194 2.895 -6.456 -4.684 1.00 0.00 C ATOM 1146 CG LYS B 194 1.577 -6.963 -5.272 1.00 0.00 C ATOM 1147 CD LYS B 194 0.439 -6.692 -4.285 1.00 0.00 C ATOM 1148 CE LYS B 194 -0.837 -6.350 -5.057 1.00 0.00 C ATOM 1149 NZ LYS B 194 -1.536 -7.653 -5.240 1.00 0.00 N ATOM 0 H LYS B 194 3.932 -5.560 -2.714 1.00 0.00 H new ATOM 0 HA LYS B 194 2.573 -8.067 -3.252 1.00 0.00 H new ATOM 0 HB2 LYS B 194 2.757 -5.461 -4.260 1.00 0.00 H new ATOM 0 HB3 LYS B 194 3.645 -6.367 -5.470 1.00 0.00 H new ATOM 0 HG2 LYS B 194 1.375 -6.466 -6.221 1.00 0.00 H new ATOM 0 HG3 LYS B 194 1.646 -8.031 -5.479 1.00 0.00 H new ATOM 0 HD2 LYS B 194 0.273 -7.567 -3.656 1.00 0.00 H new ATOM 0 HD3 LYS B 194 0.707 -5.869 -3.622 1.00 0.00 H new ATOM 0 HE2 LYS B 194 -1.456 -5.644 -4.504 1.00 0.00 H new ATOM 0 HE3 LYS B 194 -0.606 -5.887 -6.017 1.00 0.00 H new ATOM 0 HZ1 LYS B 194 -2.422 -7.501 -5.762 1.00 0.00 H new ATOM 0 HZ2 LYS B 194 -0.925 -8.302 -5.776 1.00 0.00 H new ATOM 0 HZ3 LYS B 194 -1.749 -8.066 -4.310 1.00 0.00 H new ATOM 1163 N LYS B 195 5.662 -7.794 -4.337 1.00 0.00 N ATOM 1164 CA LYS B 195 6.791 -8.623 -4.853 1.00 0.00 C ATOM 1165 C LYS B 195 7.164 -9.681 -3.812 1.00 0.00 C ATOM 1166 O LYS B 195 7.599 -10.768 -4.146 1.00 0.00 O ATOM 1167 CB LYS B 195 7.946 -7.643 -5.069 1.00 0.00 C ATOM 1168 CG LYS B 195 8.830 -8.137 -6.217 1.00 0.00 C ATOM 1169 CD LYS B 195 8.396 -7.468 -7.523 1.00 0.00 C ATOM 1170 CE LYS B 195 8.861 -8.315 -8.710 1.00 0.00 C ATOM 1171 NZ LYS B 195 7.799 -8.146 -9.741 1.00 0.00 N ATOM 0 H LYS B 195 5.890 -6.816 -4.157 1.00 0.00 H new ATOM 0 HA LYS B 195 6.539 -9.148 -5.774 1.00 0.00 H new ATOM 0 HB2 LYS B 195 7.557 -6.651 -5.297 1.00 0.00 H new ATOM 0 HB3 LYS B 195 8.535 -7.552 -4.156 1.00 0.00 H new ATOM 0 HG2 LYS B 195 9.875 -7.908 -6.009 1.00 0.00 H new ATOM 0 HG3 LYS B 195 8.753 -9.220 -6.308 1.00 0.00 H new ATOM 0 HD2 LYS B 195 7.312 -7.357 -7.544 1.00 0.00 H new ATOM 0 HD3 LYS B 195 8.820 -6.466 -7.589 1.00 0.00 H new ATOM 0 HE2 LYS B 195 9.829 -7.978 -9.081 1.00 0.00 H new ATOM 0 HE3 LYS B 195 8.975 -9.362 -8.428 1.00 0.00 H new ATOM 0 HZ1 LYS B 195 8.046 -8.698 -10.587 1.00 0.00 H new ATOM 0 HZ2 LYS B 195 6.891 -8.482 -9.362 1.00 0.00 H new ATOM 0 HZ3 LYS B 195 7.718 -7.141 -9.995 1.00 0.00 H new ATOM 1185 N LYS B 196 6.980 -9.371 -2.553 1.00 0.00 N ATOM 1186 CA LYS B 196 7.306 -10.358 -1.480 1.00 0.00 C ATOM 1187 C LYS B 196 6.385 -11.572 -1.612 1.00 0.00 C ATOM 1188 O LYS B 196 6.778 -12.694 -1.350 1.00 0.00 O ATOM 1189 CB LYS B 196 7.049 -9.624 -0.161 1.00 0.00 C ATOM 1190 CG LYS B 196 7.385 -10.543 1.016 1.00 0.00 C ATOM 1191 CD LYS B 196 6.744 -9.994 2.293 1.00 0.00 C ATOM 1192 CE LYS B 196 5.220 -10.063 2.173 1.00 0.00 C ATOM 1193 NZ LYS B 196 4.718 -9.953 3.570 1.00 0.00 N ATOM 0 H LYS B 196 6.618 -8.477 -2.222 1.00 0.00 H new ATOM 0 HA LYS B 196 8.333 -10.718 -1.539 1.00 0.00 H new ATOM 0 HB2 LYS B 196 7.655 -8.720 -0.113 1.00 0.00 H new ATOM 0 HB3 LYS B 196 6.006 -9.312 -0.105 1.00 0.00 H new ATOM 0 HG2 LYS B 196 7.021 -11.551 0.819 1.00 0.00 H new ATOM 0 HG3 LYS B 196 8.466 -10.612 1.140 1.00 0.00 H new ATOM 0 HD2 LYS B 196 7.077 -10.570 3.156 1.00 0.00 H new ATOM 0 HD3 LYS B 196 7.060 -8.964 2.456 1.00 0.00 H new ATOM 0 HE2 LYS B 196 4.836 -9.254 1.551 1.00 0.00 H new ATOM 0 HE3 LYS B 196 4.902 -10.998 1.712 1.00 0.00 H new ATOM 0 HZ1 LYS B 196 3.712 -9.688 3.558 1.00 0.00 H new ATOM 0 HZ2 LYS B 196 4.829 -10.868 4.052 1.00 0.00 H new ATOM 0 HZ3 LYS B 196 5.261 -9.226 4.078 1.00 0.00 H new ATOM 1207 N GLN B 197 5.164 -11.349 -2.028 1.00 0.00 N ATOM 1208 CA GLN B 197 4.206 -12.483 -2.197 1.00 0.00 C ATOM 1209 C GLN B 197 4.710 -13.416 -3.299 1.00 0.00 C ATOM 1210 O GLN B 197 4.490 -14.612 -3.263 1.00 0.00 O ATOM 1211 CB GLN B 197 2.877 -11.839 -2.603 1.00 0.00 C ATOM 1212 CG GLN B 197 1.925 -11.821 -1.404 1.00 0.00 C ATOM 1213 CD GLN B 197 1.508 -13.252 -1.061 1.00 0.00 C ATOM 1214 OE1 GLN B 197 0.660 -13.823 -1.716 1.00 0.00 O ATOM 1215 NE2 GLN B 197 2.074 -13.859 -0.054 1.00 0.00 N ATOM 0 H GLN B 197 4.789 -10.429 -2.258 1.00 0.00 H new ATOM 0 HA GLN B 197 4.099 -13.076 -1.289 1.00 0.00 H new ATOM 0 HB2 GLN B 197 3.048 -10.823 -2.959 1.00 0.00 H new ATOM 0 HB3 GLN B 197 2.429 -12.395 -3.427 1.00 0.00 H new ATOM 0 HG2 GLN B 197 2.412 -11.358 -0.546 1.00 0.00 H new ATOM 0 HG3 GLN B 197 1.045 -11.220 -1.634 1.00 0.00 H new ATOM 0 HE21 GLN B 197 2.786 -13.379 0.496 1.00 0.00 H new ATOM 0 HE22 GLN B 197 1.804 -14.814 0.183 1.00 0.00 H new ATOM 1224 N GLN B 198 5.392 -12.872 -4.275 1.00 0.00 N ATOM 1225 CA GLN B 198 5.928 -13.717 -5.387 1.00 0.00 C ATOM 1226 C GLN B 198 6.889 -14.765 -4.827 1.00 0.00 C ATOM 1227 O GLN B 198 6.887 -15.909 -5.243 1.00 0.00 O ATOM 1228 CB GLN B 198 6.671 -12.750 -6.311 1.00 0.00 C ATOM 1229 CG GLN B 198 6.814 -13.377 -7.699 1.00 0.00 C ATOM 1230 CD GLN B 198 6.723 -12.282 -8.764 1.00 0.00 C ATOM 1231 OE1 GLN B 198 7.570 -12.190 -9.632 1.00 0.00 O ATOM 1232 NE2 GLN B 198 5.723 -11.444 -8.735 1.00 0.00 N ATOM 0 H GLN B 198 5.602 -11.877 -4.350 1.00 0.00 H new ATOM 0 HA GLN B 198 5.138 -14.251 -5.915 1.00 0.00 H new ATOM 0 HB2 GLN B 198 6.128 -11.807 -6.381 1.00 0.00 H new ATOM 0 HB3 GLN B 198 7.655 -12.522 -5.901 1.00 0.00 H new ATOM 0 HG2 GLN B 198 7.768 -13.898 -7.778 1.00 0.00 H new ATOM 0 HG3 GLN B 198 6.032 -14.119 -7.857 1.00 0.00 H new ATOM 0 HE21 GLN B 198 5.013 -11.522 -8.007 1.00 0.00 H new ATOM 0 HE22 GLN B 198 5.651 -10.711 -9.441 1.00 0.00 H new ATOM 1241 N GLN B 199 7.702 -14.378 -3.880 1.00 0.00 N ATOM 1242 CA GLN B 199 8.667 -15.345 -3.273 1.00 0.00 C ATOM 1243 C GLN B 199 7.902 -16.484 -2.595 1.00 0.00 C ATOM 1244 O GLN B 199 8.288 -17.635 -2.672 1.00 0.00 O ATOM 1245 CB GLN B 199 9.456 -14.539 -2.240 1.00 0.00 C ATOM 1246 CG GLN B 199 10.768 -14.054 -2.861 1.00 0.00 C ATOM 1247 CD GLN B 199 10.519 -12.758 -3.635 1.00 0.00 C ATOM 1248 OE1 GLN B 199 10.261 -11.727 -3.046 1.00 0.00 O ATOM 1249 NE2 GLN B 199 10.587 -12.766 -4.938 1.00 0.00 N ATOM 0 H GLN B 199 7.740 -13.433 -3.499 1.00 0.00 H new ATOM 0 HA GLN B 199 9.325 -15.794 -4.017 1.00 0.00 H new ATOM 0 HB2 GLN B 199 8.866 -13.688 -1.900 1.00 0.00 H new ATOM 0 HB3 GLN B 199 9.662 -15.154 -1.364 1.00 0.00 H new ATOM 0 HG2 GLN B 199 11.512 -13.887 -2.082 1.00 0.00 H new ATOM 0 HG3 GLN B 199 11.171 -14.816 -3.528 1.00 0.00 H new ATOM 0 HE21 GLN B 199 10.804 -13.632 -5.432 1.00 0.00 H new ATOM 0 HE22 GLN B 199 10.424 -11.907 -5.463 1.00 0.00 H new ATOM 1258 N LEU B 200 6.815 -16.166 -1.940 1.00 0.00 N ATOM 1259 CA LEU B 200 6.008 -17.225 -1.259 1.00 0.00 C ATOM 1260 C LEU B 200 5.266 -18.057 -2.306 1.00 0.00 C ATOM 1261 O LEU B 200 5.040 -19.239 -2.126 1.00 0.00 O ATOM 1262 CB LEU B 200 5.015 -16.470 -0.371 1.00 0.00 C ATOM 1263 CG LEU B 200 5.513 -16.474 1.076 1.00 0.00 C ATOM 1264 CD1 LEU B 200 6.339 -15.213 1.335 1.00 0.00 C ATOM 1265 CD2 LEU B 200 4.314 -16.500 2.027 1.00 0.00 C ATOM 0 H LEU B 200 6.450 -15.218 -1.847 1.00 0.00 H new ATOM 0 HA LEU B 200 6.626 -17.908 -0.677 1.00 0.00 H new ATOM 0 HB2 LEU B 200 4.902 -15.445 -0.724 1.00 0.00 H new ATOM 0 HB3 LEU B 200 4.032 -16.937 -0.429 1.00 0.00 H new ATOM 0 HG LEU B 200 6.132 -17.355 1.245 1.00 0.00 H new ATOM 0 HD11 LEU B 200 6.694 -15.216 2.366 1.00 0.00 H new ATOM 0 HD12 LEU B 200 7.193 -15.192 0.657 1.00 0.00 H new ATOM 0 HD13 LEU B 200 5.720 -14.332 1.167 1.00 0.00 H new ATOM 0 HD21 LEU B 200 4.667 -16.503 3.058 1.00 0.00 H new ATOM 0 HD22 LEU B 200 3.696 -15.618 1.858 1.00 0.00 H new ATOM 0 HD23 LEU B 200 3.723 -17.398 1.843 1.00 0.00 H new ATOM 1277 N GLU B 201 4.893 -17.446 -3.402 1.00 0.00 N ATOM 1278 CA GLU B 201 4.171 -18.193 -4.474 1.00 0.00 C ATOM 1279 C GLU B 201 5.163 -19.039 -5.272 1.00 0.00 C ATOM 1280 O GLU B 201 4.850 -20.129 -5.714 1.00 0.00 O ATOM 1281 CB GLU B 201 3.540 -17.118 -5.362 1.00 0.00 C ATOM 1282 CG GLU B 201 2.319 -16.525 -4.657 1.00 0.00 C ATOM 1283 CD GLU B 201 1.064 -17.294 -5.074 1.00 0.00 C ATOM 1284 OE1 GLU B 201 1.085 -18.512 -4.991 1.00 0.00 O ATOM 1285 OE2 GLU B 201 0.104 -16.654 -5.469 1.00 0.00 O ATOM 0 H GLU B 201 5.058 -16.459 -3.600 1.00 0.00 H new ATOM 0 HA GLU B 201 3.418 -18.872 -4.073 1.00 0.00 H new ATOM 0 HB2 GLU B 201 4.267 -16.334 -5.574 1.00 0.00 H new ATOM 0 HB3 GLU B 201 3.247 -17.548 -6.320 1.00 0.00 H new ATOM 0 HG2 GLU B 201 2.449 -16.579 -3.576 1.00 0.00 H new ATOM 0 HG3 GLU B 201 2.214 -15.471 -4.914 1.00 0.00 H new