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 -160:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.053) USER MOD Single : A 68 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.13) USER MOD Single : A 71 LYS NZ :NH3+ -133:sc=-0.00206 (180deg=-0.157) 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=-0.26) USER MOD Single : A 83 LYS NZ :NH3+ 175:sc= 0.915 (180deg=0.886) USER MOD Single : A 84 HIS : no HD1:sc= -0.552 K(o=-0.55,f=-0.018) USER MOD Single : A 85 GLN : amide:sc= -0.283 X(o=-0.28,f=-0.41) USER MOD Single : A 89 GLN : amide:sc= -0.292 K(o=-0.29,f=-2.1!) USER MOD Single : B 168 SER OG : rot 14:sc= 0.861 USER MOD Single : B 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 174 GLN : amide:sc= -0.0471 X(o=-0.047,f=-0.27) USER MOD Single : B 175 ASN : amide:sc= -0.0762 K(o=-0.076,f=-1.5!) USER MOD Single : B 176 MET CE :methyl 155:sc= -11.8! (180deg=-16.9!) USER MOD Single : B 184 THR OG1 : rot 91:sc= 0.716 USER MOD Single : B 185 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 188 GLN : amide:sc= -0.458 X(o=-0.46,f=-0.19) USER MOD Single : B 189 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 191 SER OG : rot -46:sc= 0.906 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+ -103:sc= -0.0948 (180deg=-1.7!) USER MOD Single : B 197 GLN : amide:sc= -4.57 K(o=-4.6,f=-11!) USER MOD Single : B 198 GLN : amide:sc= -0.397 X(o=-0.4,f=-0.1) USER MOD Single : B 199 GLN : amide:sc= -1.04 K(o=-1,f=-2.3) USER MOD ----------------------------------------------------------------- ATOM 161 N LEU A 62 0.537 -18.481 3.576 1.00 0.00 N ATOM 162 CA LEU A 62 0.430 -17.430 2.518 1.00 0.00 C ATOM 163 C LEU A 62 -0.864 -16.633 2.698 1.00 0.00 C ATOM 164 O LEU A 62 -0.937 -15.467 2.357 1.00 0.00 O ATOM 165 CB LEU A 62 0.407 -18.193 1.192 1.00 0.00 C ATOM 166 CG LEU A 62 0.477 -17.203 0.029 1.00 0.00 C ATOM 167 CD1 LEU A 62 1.152 -17.870 -1.170 1.00 0.00 C ATOM 168 CD2 LEU A 62 -0.938 -16.769 -0.358 1.00 0.00 C ATOM 0 HA LEU A 62 1.255 -16.718 2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.248 -18.885 1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.502 -18.790 1.120 1.00 0.00 H new ATOM 0 HG LEU A 62 1.055 -16.329 0.331 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.202 -17.164 -1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.161 -18.178 -0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.575 -18.744 -1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.888 -16.063 -1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.517 -17.642 -0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.419 -16.292 0.496 1.00 0.00 H new ATOM 180 N GLU A 63 -1.882 -17.256 3.235 1.00 0.00 N ATOM 181 CA GLU A 63 -3.179 -16.540 3.443 1.00 0.00 C ATOM 182 C GLU A 63 -2.996 -15.405 4.452 1.00 0.00 C ATOM 183 O GLU A 63 -3.655 -14.385 4.377 1.00 0.00 O ATOM 184 CB GLU A 63 -4.142 -17.595 3.992 1.00 0.00 C ATOM 185 CG GLU A 63 -5.557 -17.307 3.488 1.00 0.00 C ATOM 186 CD GLU A 63 -6.491 -18.444 3.908 1.00 0.00 C ATOM 187 OE1 GLU A 63 -6.103 -19.590 3.756 1.00 0.00 O ATOM 188 OE2 GLU A 63 -7.578 -18.149 4.377 1.00 0.00 O ATOM 0 H GLU A 63 -1.872 -18.230 3.539 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.553 -16.094 2.522 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.827 -18.589 3.676 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.124 -17.587 5.082 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.913 -16.361 3.895 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.554 -17.207 2.403 1.00 0.00 H new ATOM 195 N GLU A 64 -2.102 -15.576 5.392 1.00 0.00 N ATOM 196 CA GLU A 64 -1.865 -14.507 6.410 1.00 0.00 C ATOM 197 C GLU A 64 -1.133 -13.328 5.767 1.00 0.00 C ATOM 198 O GLU A 64 -1.340 -12.185 6.130 1.00 0.00 O ATOM 199 CB GLU A 64 -0.997 -15.159 7.487 1.00 0.00 C ATOM 200 CG GLU A 64 -1.029 -14.303 8.756 1.00 0.00 C ATOM 201 CD GLU A 64 -0.055 -13.132 8.605 1.00 0.00 C ATOM 202 OE1 GLU A 64 1.097 -13.382 8.295 1.00 0.00 O ATOM 203 OE2 GLU A 64 -0.481 -12.005 8.803 1.00 0.00 O ATOM 0 H GLU A 64 -1.525 -16.410 5.499 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.795 -14.119 6.826 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.361 -16.163 7.704 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.028 -15.261 7.130 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.038 -13.930 8.931 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.757 -14.907 9.622 1.00 0.00 H new ATOM 210 N THR A 65 -0.284 -13.602 4.811 1.00 0.00 N ATOM 211 CA THR A 65 0.462 -12.502 4.130 1.00 0.00 C ATOM 212 C THR A 65 -0.496 -11.691 3.257 1.00 0.00 C ATOM 213 O THR A 65 -0.404 -10.481 3.179 1.00 0.00 O ATOM 214 CB THR A 65 1.516 -13.202 3.267 1.00 0.00 C ATOM 215 OG1 THR A 65 2.336 -14.017 4.093 1.00 0.00 O ATOM 216 CG2 THR A 65 2.381 -12.157 2.559 1.00 0.00 C ATOM 0 H THR A 65 -0.075 -14.541 4.472 1.00 0.00 H new ATOM 0 HA THR A 65 0.919 -11.810 4.838 1.00 0.00 H new ATOM 0 HB THR A 65 1.019 -13.822 2.521 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.178 -14.209 3.630 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.130 -12.659 1.946 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.752 -11.533 1.924 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.879 -11.533 3.301 1.00 0.00 H new ATOM 224 N LYS A 66 -1.422 -12.352 2.610 1.00 0.00 N ATOM 225 CA LYS A 66 -2.400 -11.626 1.745 1.00 0.00 C ATOM 226 C LYS A 66 -3.264 -10.695 2.601 1.00 0.00 C ATOM 227 O LYS A 66 -3.760 -9.689 2.129 1.00 0.00 O ATOM 228 CB LYS A 66 -3.261 -12.715 1.103 1.00 0.00 C ATOM 229 CG LYS A 66 -2.498 -13.351 -0.061 1.00 0.00 C ATOM 230 CD LYS A 66 -2.879 -12.651 -1.368 1.00 0.00 C ATOM 231 CE LYS A 66 -2.179 -13.341 -2.540 1.00 0.00 C ATOM 232 NZ LYS A 66 -3.046 -14.507 -2.873 1.00 0.00 N ATOM 0 H LYS A 66 -1.543 -13.364 2.644 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.906 -11.009 0.994 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.516 -13.474 1.842 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.199 -12.289 0.747 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.424 -13.270 0.107 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.731 -14.414 -0.124 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.960 -12.681 -1.507 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.592 -11.600 -1.327 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.078 -12.668 -3.391 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.174 -13.662 -2.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.450 -15.330 -3.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.654 -14.731 -2.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.639 -14.275 -3.695 1.00 0.00 H new ATOM 246 N GLU A 67 -3.446 -11.025 3.857 1.00 0.00 N ATOM 247 CA GLU A 67 -4.278 -10.159 4.749 1.00 0.00 C ATOM 248 C GLU A 67 -3.589 -8.813 4.970 1.00 0.00 C ATOM 249 O GLU A 67 -4.227 -7.777 4.992 1.00 0.00 O ATOM 250 CB GLU A 67 -4.392 -10.928 6.068 1.00 0.00 C ATOM 251 CG GLU A 67 -5.656 -10.487 6.808 1.00 0.00 C ATOM 252 CD GLU A 67 -5.613 -11.005 8.247 1.00 0.00 C ATOM 253 OE1 GLU A 67 -5.779 -12.200 8.430 1.00 0.00 O ATOM 254 OE2 GLU A 67 -5.416 -10.198 9.140 1.00 0.00 O ATOM 0 H GLU A 67 -3.055 -11.855 4.302 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.257 -9.949 4.319 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.427 -12.000 5.874 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.513 -10.744 6.686 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.732 -9.400 6.804 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.540 -10.870 6.299 1.00 0.00 H new ATOM 261 N GLN A 68 -2.290 -8.822 5.128 1.00 0.00 N ATOM 262 CA GLN A 68 -1.552 -7.541 5.342 1.00 0.00 C ATOM 263 C GLN A 68 -1.428 -6.792 4.015 1.00 0.00 C ATOM 264 O GLN A 68 -1.417 -5.576 3.976 1.00 0.00 O ATOM 265 CB GLN A 68 -0.175 -7.950 5.866 1.00 0.00 C ATOM 266 CG GLN A 68 0.641 -6.697 6.196 1.00 0.00 C ATOM 267 CD GLN A 68 -0.014 -5.953 7.363 1.00 0.00 C ATOM 268 OE1 GLN A 68 0.123 -6.349 8.503 1.00 0.00 O ATOM 269 NE2 GLN A 68 -0.725 -4.886 7.123 1.00 0.00 N ATOM 0 H GLN A 68 -1.709 -9.660 5.118 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.062 -6.877 6.041 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.283 -8.571 6.755 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.346 -8.550 5.120 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.663 -6.974 6.455 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.698 -6.047 5.323 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.839 -4.554 6.165 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -1.166 -4.383 7.893 1.00 0.00 H new ATOM 278 N ILE A 69 -1.346 -7.516 2.929 1.00 0.00 N ATOM 279 CA ILE A 69 -1.237 -6.859 1.594 1.00 0.00 C ATOM 280 C ILE A 69 -2.613 -6.344 1.163 1.00 0.00 C ATOM 281 O ILE A 69 -2.722 -5.376 0.434 1.00 0.00 O ATOM 282 CB ILE A 69 -0.736 -7.954 0.644 1.00 0.00 C ATOM 283 CG1 ILE A 69 0.629 -8.456 1.124 1.00 0.00 C ATOM 284 CG2 ILE A 69 -0.592 -7.386 -0.770 1.00 0.00 C ATOM 285 CD1 ILE A 69 1.043 -9.678 0.303 1.00 0.00 C ATOM 0 H ILE A 69 -1.350 -8.536 2.910 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.562 -6.003 1.600 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.451 -8.776 0.634 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.374 -7.667 1.022 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.581 -8.715 2.182 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.236 -8.167 -1.441 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.560 -7.023 -1.117 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.122 -6.563 -0.760 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.015 -10.034 0.645 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.302 -10.468 0.427 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.108 -9.404 -0.750 1.00 0.00 H new ATOM 297 N LEU A 70 -3.664 -6.980 1.622 1.00 0.00 N ATOM 298 CA LEU A 70 -5.038 -6.524 1.254 1.00 0.00 C ATOM 299 C LEU A 70 -5.384 -5.257 2.039 1.00 0.00 C ATOM 300 O LEU A 70 -6.005 -4.347 1.522 1.00 0.00 O ATOM 301 CB LEU A 70 -5.966 -7.675 1.649 1.00 0.00 C ATOM 302 CG LEU A 70 -7.406 -7.323 1.271 1.00 0.00 C ATOM 303 CD1 LEU A 70 -7.581 -7.442 -0.243 1.00 0.00 C ATOM 304 CD2 LEU A 70 -8.365 -8.288 1.971 1.00 0.00 C ATOM 0 H LEU A 70 -3.628 -7.794 2.235 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.129 -6.285 0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.660 -8.592 1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.895 -7.862 2.721 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.624 -6.301 1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.607 -7.191 -0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.897 -6.756 -0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.364 -8.463 -0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.392 -8.039 1.703 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.146 -9.309 1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.241 -8.204 3.051 1.00 0.00 H new ATOM 316 N LYS A 71 -4.974 -5.190 3.282 1.00 0.00 N ATOM 317 CA LYS A 71 -5.266 -3.976 4.103 1.00 0.00 C ATOM 318 C LYS A 71 -4.524 -2.773 3.520 1.00 0.00 C ATOM 319 O LYS A 71 -4.980 -1.648 3.606 1.00 0.00 O ATOM 320 CB LYS A 71 -4.745 -4.299 5.505 1.00 0.00 C ATOM 321 CG LYS A 71 -5.179 -3.202 6.478 1.00 0.00 C ATOM 322 CD LYS A 71 -6.594 -3.495 6.981 1.00 0.00 C ATOM 323 CE LYS A 71 -6.522 -4.416 8.202 1.00 0.00 C ATOM 324 NZ LYS A 71 -6.205 -3.515 9.344 1.00 0.00 N ATOM 0 H LYS A 71 -4.451 -5.922 3.762 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.328 -3.730 4.118 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.130 -5.264 5.834 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.658 -4.378 5.491 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.486 -3.152 7.318 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.151 -2.231 5.983 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.098 -2.565 7.243 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.182 -3.965 6.192 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.466 -4.937 8.360 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.754 -5.179 8.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.436 -3.928 9.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.908 -2.587 8.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.049 -3.400 9.940 1.00 0.00 H new ATOM 338 N LEU A 72 -3.383 -3.008 2.923 1.00 0.00 N ATOM 339 CA LEU A 72 -2.601 -1.887 2.321 1.00 0.00 C ATOM 340 C LEU A 72 -3.404 -1.232 1.196 1.00 0.00 C ATOM 341 O LEU A 72 -3.348 -0.032 1.001 1.00 0.00 O ATOM 342 CB LEU A 72 -1.332 -2.535 1.761 1.00 0.00 C ATOM 343 CG LEU A 72 -0.179 -2.355 2.751 1.00 0.00 C ATOM 344 CD1 LEU A 72 1.049 -3.115 2.245 1.00 0.00 C ATOM 345 CD2 LEU A 72 0.159 -0.867 2.879 1.00 0.00 C ATOM 0 H LEU A 72 -2.959 -3.931 2.827 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.372 -1.109 3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.504 -3.596 1.578 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.075 -2.084 0.803 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.473 -2.745 3.726 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.871 -2.988 2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.809 -4.174 2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.342 -2.725 1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.980 -0.740 3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.453 -0.476 1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.715 -0.325 3.239 1.00 0.00 H new ATOM 357 N GLU A 73 -4.153 -2.013 0.458 1.00 0.00 N ATOM 358 CA GLU A 73 -4.965 -1.441 -0.658 1.00 0.00 C ATOM 359 C GLU A 73 -5.987 -0.447 -0.106 1.00 0.00 C ATOM 360 O GLU A 73 -6.282 0.560 -0.722 1.00 0.00 O ATOM 361 CB GLU A 73 -5.670 -2.637 -1.303 1.00 0.00 C ATOM 362 CG GLU A 73 -5.691 -2.461 -2.823 1.00 0.00 C ATOM 363 CD GLU A 73 -5.571 -3.829 -3.497 1.00 0.00 C ATOM 364 OE1 GLU A 73 -6.493 -4.617 -3.362 1.00 0.00 O ATOM 365 OE2 GLU A 73 -4.559 -4.067 -4.136 1.00 0.00 O ATOM 0 H GLU A 73 -4.237 -3.022 0.581 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.350 -0.902 -1.379 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.154 -3.561 -1.041 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.688 -2.721 -0.922 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.616 -1.972 -3.130 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.870 -1.816 -3.136 1.00 0.00 H new ATOM 372 N GLU A 74 -6.521 -0.721 1.055 1.00 0.00 N ATOM 373 CA GLU A 74 -7.521 0.208 1.661 1.00 0.00 C ATOM 374 C GLU A 74 -6.807 1.431 2.236 1.00 0.00 C ATOM 375 O GLU A 74 -7.348 2.520 2.268 1.00 0.00 O ATOM 376 CB GLU A 74 -8.195 -0.594 2.776 1.00 0.00 C ATOM 377 CG GLU A 74 -9.514 -1.177 2.264 1.00 0.00 C ATOM 378 CD GLU A 74 -9.790 -2.509 2.964 1.00 0.00 C ATOM 379 OE1 GLU A 74 -9.550 -2.591 4.157 1.00 0.00 O ATOM 380 OE2 GLU A 74 -10.238 -3.425 2.294 1.00 0.00 O ATOM 0 H GLU A 74 -6.308 -1.549 1.611 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.247 0.569 0.932 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.537 -1.396 3.110 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.379 0.047 3.638 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.330 -0.479 2.453 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.464 -1.325 1.185 1.00 0.00 H new ATOM 387 N LYS A 75 -5.591 1.255 2.685 1.00 0.00 N ATOM 388 CA LYS A 75 -4.823 2.401 3.255 1.00 0.00 C ATOM 389 C LYS A 75 -4.319 3.304 2.125 1.00 0.00 C ATOM 390 O LYS A 75 -4.152 4.497 2.303 1.00 0.00 O ATOM 391 CB LYS A 75 -3.647 1.767 3.999 1.00 0.00 C ATOM 392 CG LYS A 75 -3.185 2.703 5.118 1.00 0.00 C ATOM 393 CD LYS A 75 -2.283 1.934 6.086 1.00 0.00 C ATOM 394 CE LYS A 75 -2.255 2.651 7.437 1.00 0.00 C ATOM 395 NZ LYS A 75 -1.276 1.886 8.258 1.00 0.00 N ATOM 0 H LYS A 75 -5.096 0.363 2.681 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.431 3.019 3.915 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.943 0.804 4.415 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.826 1.577 3.308 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.645 3.552 4.697 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.047 3.105 5.649 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.650 0.915 6.211 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.274 1.862 5.680 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.949 3.691 7.326 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.241 2.656 7.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.201 2.318 9.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.597 0.901 8.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.345 1.904 7.794 1.00 0.00 H new ATOM 409 N LEU A 76 -4.083 2.742 0.966 1.00 0.00 N ATOM 410 CA LEU A 76 -3.594 3.564 -0.182 1.00 0.00 C ATOM 411 C LEU A 76 -4.750 4.363 -0.782 1.00 0.00 C ATOM 412 O LEU A 76 -4.569 5.463 -1.269 1.00 0.00 O ATOM 413 CB LEU A 76 -3.053 2.556 -1.197 1.00 0.00 C ATOM 414 CG LEU A 76 -2.379 3.302 -2.349 1.00 0.00 C ATOM 415 CD1 LEU A 76 -1.086 3.951 -1.853 1.00 0.00 C ATOM 416 CD2 LEU A 76 -2.054 2.315 -3.473 1.00 0.00 C ATOM 0 H LEU A 76 -4.208 1.750 0.766 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.831 4.282 0.119 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.339 1.887 -0.716 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.865 1.936 -1.577 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.051 4.074 -2.723 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.607 4.482 -2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.316 4.654 -1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.413 3.180 -1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.573 2.845 -4.295 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.382 1.543 -3.097 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.975 1.852 -3.829 1.00 0.00 H new ATOM 428 N LEU A 77 -5.937 3.817 -0.743 1.00 0.00 N ATOM 429 CA LEU A 77 -7.117 4.539 -1.303 1.00 0.00 C ATOM 430 C LEU A 77 -7.561 5.635 -0.334 1.00 0.00 C ATOM 431 O LEU A 77 -8.055 6.671 -0.738 1.00 0.00 O ATOM 432 CB LEU A 77 -8.207 3.476 -1.455 1.00 0.00 C ATOM 433 CG LEU A 77 -8.211 2.950 -2.891 1.00 0.00 C ATOM 434 CD1 LEU A 77 -7.316 1.713 -2.987 1.00 0.00 C ATOM 435 CD2 LEU A 77 -9.639 2.576 -3.293 1.00 0.00 C ATOM 0 H LEU A 77 -6.140 2.900 -0.346 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.895 5.022 -2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.031 2.657 -0.757 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.180 3.901 -1.209 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.834 3.723 -3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.320 1.340 -4.011 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.298 1.977 -2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.691 0.939 -2.317 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.642 2.201 -4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.015 1.804 -2.622 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.278 3.457 -3.227 1.00 0.00 H new ATOM 447 N ALA A 78 -7.377 5.413 0.942 1.00 0.00 N ATOM 448 CA ALA A 78 -7.776 6.441 1.950 1.00 0.00 C ATOM 449 C ALA A 78 -6.768 7.594 1.952 1.00 0.00 C ATOM 450 O ALA A 78 -7.101 8.720 2.275 1.00 0.00 O ATOM 451 CB ALA A 78 -7.760 5.714 3.296 1.00 0.00 C ATOM 0 H ALA A 78 -6.967 4.563 1.330 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.754 6.870 1.734 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.044 6.408 4.088 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.467 4.885 3.270 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.758 5.331 3.491 1.00 0.00 H new ATOM 457 N LEU A 79 -5.539 7.320 1.590 1.00 0.00 N ATOM 458 CA LEU A 79 -4.503 8.397 1.567 1.00 0.00 C ATOM 459 C LEU A 79 -4.694 9.284 0.334 1.00 0.00 C ATOM 460 O LEU A 79 -4.414 10.468 0.365 1.00 0.00 O ATOM 461 CB LEU A 79 -3.161 7.660 1.501 1.00 0.00 C ATOM 462 CG LEU A 79 -2.105 8.424 2.306 1.00 0.00 C ATOM 463 CD1 LEU A 79 -2.506 8.462 3.784 1.00 0.00 C ATOM 464 CD2 LEU A 79 -0.755 7.720 2.167 1.00 0.00 C ATOM 0 H LEU A 79 -5.209 6.397 1.309 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.563 9.048 2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.271 6.650 1.896 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.840 7.563 0.464 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.031 9.443 1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.752 9.006 4.352 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.469 8.962 3.887 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.583 7.444 4.166 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.002 8.262 2.739 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.835 6.701 2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.464 7.695 1.117 1.00 0.00 H new ATOM 476 N GLN A 80 -5.173 8.720 -0.745 1.00 0.00 N ATOM 477 CA GLN A 80 -5.392 9.530 -1.981 1.00 0.00 C ATOM 478 C GLN A 80 -6.635 10.405 -1.813 1.00 0.00 C ATOM 479 O GLN A 80 -6.721 11.488 -2.363 1.00 0.00 O ATOM 480 CB GLN A 80 -5.597 8.510 -3.103 1.00 0.00 C ATOM 481 CG GLN A 80 -4.261 8.239 -3.796 1.00 0.00 C ATOM 482 CD GLN A 80 -4.439 7.130 -4.834 1.00 0.00 C ATOM 483 OE1 GLN A 80 -5.396 7.130 -5.582 1.00 0.00 O ATOM 484 NE2 GLN A 80 -3.552 6.175 -4.909 1.00 0.00 N ATOM 0 H GLN A 80 -5.422 7.734 -0.824 1.00 0.00 H new ATOM 0 HA GLN A 80 -4.556 10.196 -2.194 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.003 7.583 -2.697 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.323 8.887 -3.824 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -3.898 9.147 -4.277 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -3.511 7.947 -3.061 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -2.748 6.175 -4.281 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -3.663 5.429 -5.596 1.00 0.00 H new ATOM 493 N GLU A 81 -7.592 9.944 -1.050 1.00 0.00 N ATOM 494 CA GLU A 81 -8.833 10.747 -0.831 1.00 0.00 C ATOM 495 C GLU A 81 -8.523 11.946 0.068 1.00 0.00 C ATOM 496 O GLU A 81 -9.168 12.975 -0.012 1.00 0.00 O ATOM 497 CB GLU A 81 -9.813 9.795 -0.139 1.00 0.00 C ATOM 498 CG GLU A 81 -10.791 9.226 -1.170 1.00 0.00 C ATOM 499 CD GLU A 81 -11.669 10.352 -1.719 1.00 0.00 C ATOM 500 OE1 GLU A 81 -12.565 10.777 -1.008 1.00 0.00 O ATOM 501 OE2 GLU A 81 -11.430 10.770 -2.840 1.00 0.00 O ATOM 0 H GLU A 81 -7.568 9.045 -0.568 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.243 11.139 -1.762 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.268 8.985 0.346 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.359 10.324 0.642 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -10.242 8.750 -1.983 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -11.413 8.457 -0.711 1.00 0.00 H new ATOM 508 N GLU A 82 -7.537 11.819 0.922 1.00 0.00 N ATOM 509 CA GLU A 82 -7.176 12.951 1.829 1.00 0.00 C ATOM 510 C GLU A 82 -6.573 14.100 1.018 1.00 0.00 C ATOM 511 O GLU A 82 -6.814 15.259 1.298 1.00 0.00 O ATOM 512 CB GLU A 82 -6.141 12.375 2.803 1.00 0.00 C ATOM 513 CG GLU A 82 -6.801 12.109 4.159 1.00 0.00 C ATOM 514 CD GLU A 82 -5.741 11.643 5.160 1.00 0.00 C ATOM 515 OE1 GLU A 82 -4.893 12.447 5.511 1.00 0.00 O ATOM 516 OE2 GLU A 82 -5.796 10.491 5.558 1.00 0.00 O ATOM 0 H GLU A 82 -6.967 10.980 1.030 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.043 13.351 2.355 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.725 11.450 2.402 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.312 13.072 2.922 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.287 13.014 4.523 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.577 11.351 4.055 1.00 0.00 H new ATOM 523 N LYS A 83 -5.794 13.787 0.012 1.00 0.00 N ATOM 524 CA LYS A 83 -5.179 14.864 -0.824 1.00 0.00 C ATOM 525 C LYS A 83 -6.256 15.549 -1.666 1.00 0.00 C ATOM 526 O LYS A 83 -6.157 16.720 -1.983 1.00 0.00 O ATOM 527 CB LYS A 83 -4.164 14.153 -1.722 1.00 0.00 C ATOM 528 CG LYS A 83 -3.409 15.188 -2.558 1.00 0.00 C ATOM 529 CD LYS A 83 -2.171 14.537 -3.179 1.00 0.00 C ATOM 530 CE LYS A 83 -1.815 15.257 -4.482 1.00 0.00 C ATOM 531 NZ LYS A 83 -1.362 14.179 -5.405 1.00 0.00 N ATOM 0 H LYS A 83 -5.558 12.834 -0.266 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.705 15.636 -0.218 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.464 13.580 -1.114 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.674 13.444 -2.375 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.057 15.582 -3.341 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.115 16.031 -1.933 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.333 14.586 -2.483 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.361 13.482 -3.374 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.676 15.788 -4.888 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.030 15.996 -4.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.181 14.582 -6.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.488 13.752 -5.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.100 13.450 -5.476 1.00 0.00 H new ATOM 545 N HIS A 84 -7.289 14.828 -2.020 1.00 0.00 N ATOM 546 CA HIS A 84 -8.385 15.432 -2.835 1.00 0.00 C ATOM 547 C HIS A 84 -9.163 16.442 -1.988 1.00 0.00 C ATOM 548 O HIS A 84 -9.696 17.411 -2.495 1.00 0.00 O ATOM 549 CB HIS A 84 -9.285 14.262 -3.237 1.00 0.00 C ATOM 550 CG HIS A 84 -10.312 14.737 -4.228 1.00 0.00 C ATOM 551 ND1 HIS A 84 -10.298 14.341 -5.555 1.00 0.00 N ATOM 552 CD2 HIS A 84 -11.391 15.577 -4.099 1.00 0.00 C ATOM 553 CE1 HIS A 84 -11.339 14.935 -6.168 1.00 0.00 C ATOM 554 NE2 HIS A 84 -12.038 15.700 -5.325 1.00 0.00 N ATOM 0 H HIS A 84 -7.421 13.846 -1.779 1.00 0.00 H new ATOM 0 HA HIS A 84 -8.006 15.964 -3.708 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.687 13.462 -3.673 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.777 13.849 -2.357 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.692 16.068 -3.185 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -11.580 14.809 -7.213 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -12.868 16.255 -5.535 1.00 0.00 H new ATOM 562 N GLN A 85 -9.223 16.221 -0.699 1.00 0.00 N ATOM 563 CA GLN A 85 -9.959 17.168 0.194 1.00 0.00 C ATOM 564 C GLN A 85 -9.268 18.532 0.191 1.00 0.00 C ATOM 565 O GLN A 85 -9.909 19.563 0.282 1.00 0.00 O ATOM 566 CB GLN A 85 -9.899 16.539 1.588 1.00 0.00 C ATOM 567 CG GLN A 85 -10.991 17.145 2.471 1.00 0.00 C ATOM 568 CD GLN A 85 -10.436 18.370 3.200 1.00 0.00 C ATOM 569 OE1 GLN A 85 -9.441 18.281 3.892 1.00 0.00 O ATOM 570 NE2 GLN A 85 -11.042 19.519 3.075 1.00 0.00 N ATOM 0 H GLN A 85 -8.794 15.426 -0.226 1.00 0.00 H new ATOM 0 HA GLN A 85 -10.987 17.327 -0.132 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -10.032 15.459 1.517 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.919 16.711 2.034 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.850 17.429 1.863 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -11.341 16.407 3.193 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.877 19.595 2.494 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.680 20.341 3.558 1.00 0.00 H new ATOM 579 N LEU A 86 -7.963 18.543 0.082 1.00 0.00 N ATOM 580 CA LEU A 86 -7.219 19.840 0.069 1.00 0.00 C ATOM 581 C LEU A 86 -7.609 20.651 -1.170 1.00 0.00 C ATOM 582 O LEU A 86 -7.748 21.859 -1.113 1.00 0.00 O ATOM 583 CB LEU A 86 -5.737 19.459 0.015 1.00 0.00 C ATOM 584 CG LEU A 86 -5.133 19.546 1.418 1.00 0.00 C ATOM 585 CD1 LEU A 86 -4.057 18.471 1.579 1.00 0.00 C ATOM 586 CD2 LEU A 86 -4.504 20.928 1.616 1.00 0.00 C ATOM 0 H LEU A 86 -7.380 17.710 0.001 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.444 20.453 0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.625 18.448 -0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.204 20.126 -0.663 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.916 19.391 2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.627 18.533 2.579 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.502 17.486 1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.274 18.626 0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.073 20.992 2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.721 21.081 0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.269 21.696 1.501 1.00 0.00 H new ATOM 598 N PHE A 87 -7.788 19.991 -2.287 1.00 0.00 N ATOM 599 CA PHE A 87 -8.173 20.716 -3.539 1.00 0.00 C ATOM 600 C PHE A 87 -9.515 21.427 -3.345 1.00 0.00 C ATOM 601 O PHE A 87 -9.782 22.444 -3.959 1.00 0.00 O ATOM 602 CB PHE A 87 -8.294 19.633 -4.612 1.00 0.00 C ATOM 603 CG PHE A 87 -6.963 19.456 -5.304 1.00 0.00 C ATOM 604 CD1 PHE A 87 -6.543 20.385 -6.264 1.00 0.00 C ATOM 605 CD2 PHE A 87 -6.148 18.363 -4.985 1.00 0.00 C ATOM 606 CE1 PHE A 87 -5.309 20.221 -6.904 1.00 0.00 C ATOM 607 CE2 PHE A 87 -4.914 18.199 -5.625 1.00 0.00 C ATOM 608 CZ PHE A 87 -4.495 19.128 -6.585 1.00 0.00 C ATOM 0 H PHE A 87 -7.684 18.981 -2.387 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.442 21.477 -3.812 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -8.608 18.692 -4.160 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -9.059 19.909 -5.338 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.171 21.228 -6.511 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.472 17.646 -4.245 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.985 20.938 -7.644 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.285 17.356 -5.378 1.00 0.00 H new ATOM 0 HZ PHE A 87 -3.543 19.001 -7.080 1.00 0.00 H new ATOM 618 N LEU A 88 -10.357 20.900 -2.493 1.00 0.00 N ATOM 619 CA LEU A 88 -11.685 21.542 -2.251 1.00 0.00 C ATOM 620 C LEU A 88 -11.509 22.826 -1.437 1.00 0.00 C ATOM 621 O LEU A 88 -12.292 23.751 -1.547 1.00 0.00 O ATOM 622 CB LEU A 88 -12.492 20.510 -1.458 1.00 0.00 C ATOM 623 CG LEU A 88 -12.928 19.377 -2.389 1.00 0.00 C ATOM 624 CD1 LEU A 88 -13.526 18.238 -1.562 1.00 0.00 C ATOM 625 CD2 LEU A 88 -13.980 19.901 -3.369 1.00 0.00 C ATOM 0 H LEU A 88 -10.182 20.052 -1.954 1.00 0.00 H new ATOM 0 HA LEU A 88 -12.184 21.819 -3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -11.890 20.112 -0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -13.366 20.983 -1.009 1.00 0.00 H new ATOM 0 HG LEU A 88 -12.064 19.009 -2.943 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -13.837 17.431 -2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -12.778 17.865 -0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -14.390 18.605 -1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -14.292 19.095 -4.033 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.843 20.268 -2.814 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -13.555 20.713 -3.959 1.00 0.00 H new ATOM 637 N GLN A 89 -10.488 22.885 -0.622 1.00 0.00 N ATOM 638 CA GLN A 89 -10.252 24.108 0.205 1.00 0.00 C ATOM 639 C GLN A 89 -8.918 24.763 -0.176 1.00 0.00 C ATOM 640 O GLN A 89 -8.309 25.451 0.621 1.00 0.00 O ATOM 641 CB GLN A 89 -10.220 23.615 1.657 1.00 0.00 C ATOM 642 CG GLN A 89 -9.125 22.554 1.831 1.00 0.00 C ATOM 643 CD GLN A 89 -8.451 22.729 3.193 1.00 0.00 C ATOM 644 OE1 GLN A 89 -8.358 23.829 3.701 1.00 0.00 O ATOM 645 NE2 GLN A 89 -7.973 21.684 3.811 1.00 0.00 N ATOM 0 H GLN A 89 -9.806 22.138 -0.493 1.00 0.00 H new ATOM 0 HA GLN A 89 -11.026 24.860 0.052 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -10.035 24.453 2.329 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -11.189 23.196 1.928 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.556 21.556 1.753 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.387 22.645 1.034 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -8.051 20.760 3.386 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -7.522 21.791 4.720 1.00 0.00 H new ATOM 654 N LEU A 90 -8.466 24.556 -1.388 1.00 0.00 N ATOM 655 CA LEU A 90 -7.174 25.167 -1.827 1.00 0.00 C ATOM 656 C LEU A 90 -7.378 26.654 -2.134 1.00 0.00 C ATOM 657 O LEU A 90 -8.228 26.958 -2.955 1.00 0.00 O ATOM 658 CB LEU A 90 -6.780 24.400 -3.097 1.00 0.00 C ATOM 659 CG LEU A 90 -5.262 24.478 -3.331 1.00 0.00 C ATOM 660 CD1 LEU A 90 -4.839 25.935 -3.529 1.00 0.00 C ATOM 661 CD2 LEU A 90 -4.510 23.880 -2.133 1.00 0.00 C ATOM 662 OXT LEU A 90 -6.681 27.462 -1.544 1.00 0.00 O ATOM 0 H LEU A 90 -8.937 23.989 -2.093 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.401 25.102 -1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.086 23.358 -3.008 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.307 24.815 -3.956 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.016 23.907 -4.226 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.763 25.982 -3.694 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.357 26.350 -4.393 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.095 26.512 -2.641 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.436 23.941 -2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.761 24.438 -1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.798 22.836 -2.007 1.00 0.00 H new ATOM 675 N GLY B 166 -9.498 30.618 2.301 1.00 0.00 N ATOM 676 CA GLY B 166 -8.167 29.949 2.338 1.00 0.00 C ATOM 677 C GLY B 166 -7.282 30.629 3.383 1.00 0.00 C ATOM 678 O GLY B 166 -7.684 30.830 4.513 1.00 0.00 O ATOM 0 HA2 GLY B 166 -8.286 28.893 2.579 1.00 0.00 H new ATOM 0 HA3 GLY B 166 -7.695 30.001 1.357 1.00 0.00 H new ATOM 684 N LEU B 167 -6.078 30.986 3.012 1.00 0.00 N ATOM 685 CA LEU B 167 -5.154 31.658 3.982 1.00 0.00 C ATOM 686 C LEU B 167 -4.203 32.614 3.246 1.00 0.00 C ATOM 687 O LEU B 167 -4.421 33.810 3.225 1.00 0.00 O ATOM 688 CB LEU B 167 -4.365 30.546 4.721 1.00 0.00 C ATOM 689 CG LEU B 167 -4.122 29.311 3.829 1.00 0.00 C ATOM 690 CD1 LEU B 167 -2.707 28.776 4.064 1.00 0.00 C ATOM 691 CD2 LEU B 167 -5.139 28.221 4.176 1.00 0.00 C ATOM 0 H LEU B 167 -5.693 30.842 2.079 1.00 0.00 H new ATOM 0 HA LEU B 167 -5.717 32.256 4.698 1.00 0.00 H new ATOM 0 HB2 LEU B 167 -3.407 30.944 5.056 1.00 0.00 H new ATOM 0 HB3 LEU B 167 -4.914 30.245 5.613 1.00 0.00 H new ATOM 0 HG LEU B 167 -4.234 29.596 2.783 1.00 0.00 H new ATOM 0 HD11 LEU B 167 -2.538 27.904 3.433 1.00 0.00 H new ATOM 0 HD12 LEU B 167 -1.980 29.549 3.816 1.00 0.00 H new ATOM 0 HD13 LEU B 167 -2.594 28.494 5.111 1.00 0.00 H new ATOM 0 HD21 LEU B 167 -4.967 27.349 3.545 1.00 0.00 H new ATOM 0 HD22 LEU B 167 -5.028 27.940 5.223 1.00 0.00 H new ATOM 0 HD23 LEU B 167 -6.148 28.598 4.007 1.00 0.00 H new ATOM 703 N SER B 168 -3.154 32.103 2.646 1.00 0.00 N ATOM 704 CA SER B 168 -2.197 32.991 1.917 1.00 0.00 C ATOM 705 C SER B 168 -1.844 32.406 0.546 1.00 0.00 C ATOM 706 O SER B 168 -0.844 32.765 -0.046 1.00 0.00 O ATOM 707 CB SER B 168 -0.957 33.044 2.809 1.00 0.00 C ATOM 708 OG SER B 168 0.171 33.405 2.023 1.00 0.00 O ATOM 0 H SER B 168 -2.921 31.110 2.630 1.00 0.00 H new ATOM 0 HA SER B 168 -2.619 33.979 1.732 1.00 0.00 H new ATOM 0 HB2 SER B 168 -1.102 33.767 3.611 1.00 0.00 H new ATOM 0 HB3 SER B 168 -0.792 32.075 3.280 1.00 0.00 H new ATOM 0 HG SER B 168 -0.131 33.744 1.155 1.00 0.00 H new ATOM 714 N LYS B 169 -2.651 31.500 0.034 1.00 0.00 N ATOM 715 CA LYS B 169 -2.358 30.879 -1.302 1.00 0.00 C ATOM 716 C LYS B 169 -0.914 30.359 -1.351 1.00 0.00 C ATOM 717 O LYS B 169 -0.315 30.256 -2.404 1.00 0.00 O ATOM 718 CB LYS B 169 -2.561 31.998 -2.325 1.00 0.00 C ATOM 719 CG LYS B 169 -2.718 31.390 -3.721 1.00 0.00 C ATOM 720 CD LYS B 169 -4.008 30.569 -3.782 1.00 0.00 C ATOM 721 CE LYS B 169 -4.476 30.458 -5.235 1.00 0.00 C ATOM 722 NZ LYS B 169 -5.921 30.107 -5.148 1.00 0.00 N ATOM 0 H LYS B 169 -3.502 31.164 0.486 1.00 0.00 H new ATOM 0 HA LYS B 169 -3.006 30.026 -1.502 1.00 0.00 H new ATOM 0 HB2 LYS B 169 -3.445 32.583 -2.070 1.00 0.00 H new ATOM 0 HB3 LYS B 169 -1.711 32.680 -2.307 1.00 0.00 H new ATOM 0 HG2 LYS B 169 -2.742 32.180 -4.472 1.00 0.00 H new ATOM 0 HG3 LYS B 169 -1.861 30.757 -3.951 1.00 0.00 H new ATOM 0 HD2 LYS B 169 -3.839 29.576 -3.367 1.00 0.00 H new ATOM 0 HD3 LYS B 169 -4.781 31.041 -3.175 1.00 0.00 H new ATOM 0 HE2 LYS B 169 -4.329 31.396 -5.770 1.00 0.00 H new ATOM 0 HE3 LYS B 169 -3.916 29.693 -5.773 1.00 0.00 H new ATOM 0 HZ1 LYS B 169 -6.314 30.013 -6.106 1.00 0.00 H new ATOM 0 HZ2 LYS B 169 -6.029 29.206 -4.640 1.00 0.00 H new ATOM 0 HZ3 LYS B 169 -6.430 30.856 -4.637 1.00 0.00 H new ATOM 736 N GLU B 170 -0.361 30.036 -0.211 1.00 0.00 N ATOM 737 CA GLU B 170 1.037 29.524 -0.164 1.00 0.00 C ATOM 738 C GLU B 170 1.176 28.538 0.993 1.00 0.00 C ATOM 739 O GLU B 170 1.720 27.460 0.838 1.00 0.00 O ATOM 740 CB GLU B 170 1.908 30.758 0.069 1.00 0.00 C ATOM 741 CG GLU B 170 3.384 30.361 0.012 1.00 0.00 C ATOM 742 CD GLU B 170 3.820 30.224 -1.448 1.00 0.00 C ATOM 743 OE1 GLU B 170 3.738 31.208 -2.164 1.00 0.00 O ATOM 744 OE2 GLU B 170 4.230 29.138 -1.824 1.00 0.00 O ATOM 0 H GLU B 170 -0.823 30.106 0.695 1.00 0.00 H new ATOM 0 HA GLU B 170 1.325 29.000 -1.075 1.00 0.00 H new ATOM 0 HB2 GLU B 170 1.695 31.514 -0.686 1.00 0.00 H new ATOM 0 HB3 GLU B 170 1.677 31.201 1.038 1.00 0.00 H new ATOM 0 HG2 GLU B 170 3.993 31.112 0.516 1.00 0.00 H new ATOM 0 HG3 GLU B 170 3.539 29.419 0.539 1.00 0.00 H new ATOM 751 N GLU B 171 0.677 28.895 2.151 1.00 0.00 N ATOM 752 CA GLU B 171 0.766 27.973 3.318 1.00 0.00 C ATOM 753 C GLU B 171 -0.117 26.752 3.066 1.00 0.00 C ATOM 754 O GLU B 171 0.189 25.652 3.489 1.00 0.00 O ATOM 755 CB GLU B 171 0.258 28.776 4.519 1.00 0.00 C ATOM 756 CG GLU B 171 1.443 29.236 5.371 1.00 0.00 C ATOM 757 CD GLU B 171 2.045 28.034 6.103 1.00 0.00 C ATOM 758 OE1 GLU B 171 1.458 27.609 7.084 1.00 0.00 O ATOM 759 OE2 GLU B 171 3.082 27.561 5.670 1.00 0.00 O ATOM 0 H GLU B 171 0.213 29.785 2.335 1.00 0.00 H new ATOM 0 HA GLU B 171 1.780 27.613 3.490 1.00 0.00 H new ATOM 0 HB2 GLU B 171 -0.313 29.639 4.176 1.00 0.00 H new ATOM 0 HB3 GLU B 171 -0.417 28.165 5.118 1.00 0.00 H new ATOM 0 HG2 GLU B 171 2.197 29.706 4.740 1.00 0.00 H new ATOM 0 HG3 GLU B 171 1.117 29.987 6.091 1.00 0.00 H new ATOM 766 N LEU B 172 -1.200 26.940 2.359 1.00 0.00 N ATOM 767 CA LEU B 172 -2.106 25.796 2.047 1.00 0.00 C ATOM 768 C LEU B 172 -1.514 24.984 0.894 1.00 0.00 C ATOM 769 O LEU B 172 -1.732 23.792 0.784 1.00 0.00 O ATOM 770 CB LEU B 172 -3.434 26.433 1.630 1.00 0.00 C ATOM 771 CG LEU B 172 -4.596 25.552 2.092 1.00 0.00 C ATOM 772 CD1 LEU B 172 -5.921 26.245 1.765 1.00 0.00 C ATOM 773 CD2 LEU B 172 -4.538 24.202 1.371 1.00 0.00 C ATOM 0 H LEU B 172 -1.497 27.840 1.983 1.00 0.00 H new ATOM 0 HA LEU B 172 -2.237 25.121 2.893 1.00 0.00 H new ATOM 0 HB2 LEU B 172 -3.524 27.428 2.066 1.00 0.00 H new ATOM 0 HB3 LEU B 172 -3.466 26.555 0.547 1.00 0.00 H new ATOM 0 HG LEU B 172 -4.522 25.391 3.168 1.00 0.00 H new ATOM 0 HD11 LEU B 172 -6.750 25.618 2.094 1.00 0.00 H new ATOM 0 HD12 LEU B 172 -5.966 27.205 2.279 1.00 0.00 H new ATOM 0 HD13 LEU B 172 -5.992 26.406 0.689 1.00 0.00 H new ATOM 0 HD21 LEU B 172 -5.367 23.577 1.702 1.00 0.00 H new ATOM 0 HD22 LEU B 172 -4.611 24.361 0.295 1.00 0.00 H new ATOM 0 HD23 LEU B 172 -3.595 23.706 1.602 1.00 0.00 H new ATOM 785 N ILE B 173 -0.755 25.626 0.040 1.00 0.00 N ATOM 786 CA ILE B 173 -0.132 24.903 -1.107 1.00 0.00 C ATOM 787 C ILE B 173 0.967 23.976 -0.587 1.00 0.00 C ATOM 788 O ILE B 173 1.220 22.924 -1.145 1.00 0.00 O ATOM 789 CB ILE B 173 0.471 25.990 -2.009 1.00 0.00 C ATOM 790 CG1 ILE B 173 -0.612 27.002 -2.428 1.00 0.00 C ATOM 791 CG2 ILE B 173 1.075 25.341 -3.256 1.00 0.00 C ATOM 792 CD1 ILE B 173 -1.743 26.296 -3.184 1.00 0.00 C ATOM 0 H ILE B 173 -0.541 26.622 0.090 1.00 0.00 H new ATOM 0 HA ILE B 173 -0.854 24.293 -1.650 1.00 0.00 H new ATOM 0 HB ILE B 173 1.248 26.517 -1.455 1.00 0.00 H new ATOM 0 HG12 ILE B 173 -1.013 27.501 -1.546 1.00 0.00 H new ATOM 0 HG13 ILE B 173 -0.172 27.774 -3.059 1.00 0.00 H new ATOM 0 HG21 ILE B 173 1.503 26.112 -3.896 1.00 0.00 H new ATOM 0 HG22 ILE B 173 1.856 24.641 -2.960 1.00 0.00 H new ATOM 0 HG23 ILE B 173 0.297 24.807 -3.801 1.00 0.00 H new ATOM 0 HD11 ILE B 173 -2.499 27.026 -3.472 1.00 0.00 H new ATOM 0 HD12 ILE B 173 -1.341 25.818 -4.077 1.00 0.00 H new ATOM 0 HD13 ILE B 173 -2.195 25.541 -2.541 1.00 0.00 H new ATOM 804 N GLN B 174 1.615 24.359 0.485 1.00 0.00 N ATOM 805 CA GLN B 174 2.698 23.501 1.056 1.00 0.00 C ATOM 806 C GLN B 174 2.090 22.251 1.698 1.00 0.00 C ATOM 807 O GLN B 174 2.717 21.210 1.762 1.00 0.00 O ATOM 808 CB GLN B 174 3.384 24.368 2.114 1.00 0.00 C ATOM 809 CG GLN B 174 4.627 23.645 2.639 1.00 0.00 C ATOM 810 CD GLN B 174 5.779 23.828 1.651 1.00 0.00 C ATOM 811 OE1 GLN B 174 6.093 24.936 1.265 1.00 0.00 O ATOM 812 NE2 GLN B 174 6.428 22.780 1.222 1.00 0.00 N ATOM 0 H GLN B 174 1.441 25.228 0.989 1.00 0.00 H new ATOM 0 HA GLN B 174 3.401 23.163 0.295 1.00 0.00 H new ATOM 0 HB2 GLN B 174 3.664 25.330 1.685 1.00 0.00 H new ATOM 0 HB3 GLN B 174 2.696 24.573 2.934 1.00 0.00 H new ATOM 0 HG2 GLN B 174 4.905 24.041 3.616 1.00 0.00 H new ATOM 0 HG3 GLN B 174 4.414 22.584 2.773 1.00 0.00 H new ATOM 0 HE21 GLN B 174 6.165 21.849 1.546 1.00 0.00 H new ATOM 0 HE22 GLN B 174 7.198 22.892 0.563 1.00 0.00 H new ATOM 821 N ASN B 175 0.872 22.349 2.169 1.00 0.00 N ATOM 822 CA ASN B 175 0.214 21.169 2.807 1.00 0.00 C ATOM 823 C ASN B 175 -0.117 20.114 1.749 1.00 0.00 C ATOM 824 O ASN B 175 -0.162 18.931 2.033 1.00 0.00 O ATOM 825 CB ASN B 175 -1.069 21.714 3.439 1.00 0.00 C ATOM 826 CG ASN B 175 -0.739 22.361 4.786 1.00 0.00 C ATOM 827 OD1 ASN B 175 0.162 21.928 5.477 1.00 0.00 O ATOM 828 ND2 ASN B 175 -1.437 23.387 5.192 1.00 0.00 N ATOM 0 H ASN B 175 0.305 23.196 2.139 1.00 0.00 H new ATOM 0 HA ASN B 175 0.857 20.691 3.546 1.00 0.00 H new ATOM 0 HB2 ASN B 175 -1.532 22.445 2.776 1.00 0.00 H new ATOM 0 HB3 ASN B 175 -1.790 20.908 3.577 1.00 0.00 H new ATOM 0 HD21 ASN B 175 -1.226 23.825 6.089 1.00 0.00 H new ATOM 0 HD22 ASN B 175 -2.193 23.751 4.612 1.00 0.00 H new ATOM 835 N MET B 176 -0.348 20.534 0.531 1.00 0.00 N ATOM 836 CA MET B 176 -0.674 19.557 -0.553 1.00 0.00 C ATOM 837 C MET B 176 0.592 18.819 -0.992 1.00 0.00 C ATOM 838 O MET B 176 0.545 17.667 -1.382 1.00 0.00 O ATOM 839 CB MET B 176 -1.235 20.401 -1.705 1.00 0.00 C ATOM 840 CG MET B 176 -2.752 20.204 -1.799 1.00 0.00 C ATOM 841 SD MET B 176 -3.280 20.377 -3.521 1.00 0.00 S ATOM 842 CE MET B 176 -4.904 21.101 -3.185 1.00 0.00 C ATOM 0 H MET B 176 -0.325 21.511 0.240 1.00 0.00 H new ATOM 0 HA MET B 176 -1.387 18.801 -0.225 1.00 0.00 H new ATOM 0 HB2 MET B 176 -1.005 21.454 -1.543 1.00 0.00 H new ATOM 0 HB3 MET B 176 -0.762 20.112 -2.644 1.00 0.00 H new ATOM 0 HG2 MET B 176 -3.025 19.219 -1.421 1.00 0.00 H new ATOM 0 HG3 MET B 176 -3.264 20.937 -1.176 1.00 0.00 H new ATOM 0 HE1 MET B 176 -5.226 21.687 -4.046 1.00 0.00 H new ATOM 0 HE2 MET B 176 -5.625 20.306 -2.997 1.00 0.00 H new ATOM 0 HE3 MET B 176 -4.840 21.747 -2.309 1.00 0.00 H new ATOM 852 N ASP B 177 1.721 19.475 -0.927 1.00 0.00 N ATOM 853 CA ASP B 177 3.000 18.817 -1.335 1.00 0.00 C ATOM 854 C ASP B 177 3.422 17.795 -0.278 1.00 0.00 C ATOM 855 O ASP B 177 4.049 16.798 -0.581 1.00 0.00 O ATOM 856 CB ASP B 177 4.025 19.949 -1.428 1.00 0.00 C ATOM 857 CG ASP B 177 5.039 19.630 -2.529 1.00 0.00 C ATOM 858 OD1 ASP B 177 5.654 18.580 -2.454 1.00 0.00 O ATOM 859 OD2 ASP B 177 5.184 20.443 -3.427 1.00 0.00 O ATOM 0 H ASP B 177 1.814 20.440 -0.609 1.00 0.00 H new ATOM 0 HA ASP B 177 2.905 18.282 -2.280 1.00 0.00 H new ATOM 0 HB2 ASP B 177 3.523 20.892 -1.644 1.00 0.00 H new ATOM 0 HB3 ASP B 177 4.536 20.071 -0.473 1.00 0.00 H new ATOM 864 N ARG B 178 3.072 18.036 0.959 1.00 0.00 N ATOM 865 CA ARG B 178 3.441 17.080 2.046 1.00 0.00 C ATOM 866 C ARG B 178 2.506 15.871 2.014 1.00 0.00 C ATOM 867 O ARG B 178 2.887 14.771 2.369 1.00 0.00 O ATOM 868 CB ARG B 178 3.263 17.863 3.347 1.00 0.00 C ATOM 869 CG ARG B 178 3.732 17.007 4.527 1.00 0.00 C ATOM 870 CD ARG B 178 4.406 17.900 5.570 1.00 0.00 C ATOM 871 NE ARG B 178 3.305 18.731 6.131 1.00 0.00 N ATOM 872 CZ ARG B 178 3.250 18.963 7.414 1.00 0.00 C ATOM 873 NH1 ARG B 178 4.333 19.290 8.064 1.00 0.00 N ATOM 874 NH2 ARG B 178 2.113 18.866 8.045 1.00 0.00 N ATOM 0 H ARG B 178 2.546 18.855 1.264 1.00 0.00 H new ATOM 0 HA ARG B 178 4.458 16.703 1.939 1.00 0.00 H new ATOM 0 HB2 ARG B 178 3.835 18.790 3.307 1.00 0.00 H new ATOM 0 HB3 ARG B 178 2.217 18.139 3.477 1.00 0.00 H new ATOM 0 HG2 ARG B 178 2.884 16.487 4.972 1.00 0.00 H new ATOM 0 HG3 ARG B 178 4.429 16.243 4.182 1.00 0.00 H new ATOM 0 HD2 ARG B 178 4.888 17.306 6.347 1.00 0.00 H new ATOM 0 HD3 ARG B 178 5.179 18.521 5.118 1.00 0.00 H new ATOM 0 HE ARG B 178 2.593 19.119 5.512 1.00 0.00 H new ATOM 0 HH11 ARG B 178 5.222 19.364 7.569 1.00 0.00 H new ATOM 0 HH12 ARG B 178 4.291 19.471 9.067 1.00 0.00 H new ATOM 0 HH21 ARG B 178 1.267 18.609 7.536 1.00 0.00 H new ATOM 0 HH22 ARG B 178 2.069 19.047 9.048 1.00 0.00 H new ATOM 888 N VAL B 179 1.286 16.071 1.587 1.00 0.00 N ATOM 889 CA VAL B 179 0.314 14.939 1.522 1.00 0.00 C ATOM 890 C VAL B 179 0.621 14.063 0.304 1.00 0.00 C ATOM 891 O VAL B 179 0.386 12.871 0.314 1.00 0.00 O ATOM 892 CB VAL B 179 -1.065 15.596 1.388 1.00 0.00 C ATOM 893 CG1 VAL B 179 -2.148 14.516 1.305 1.00 0.00 C ATOM 894 CG2 VAL B 179 -1.333 16.484 2.608 1.00 0.00 C ATOM 0 H VAL B 179 0.920 16.972 1.280 1.00 0.00 H new ATOM 0 HA VAL B 179 0.364 14.296 2.401 1.00 0.00 H new ATOM 0 HB VAL B 179 -1.084 16.202 0.482 1.00 0.00 H new ATOM 0 HG11 VAL B 179 -3.126 14.988 1.210 1.00 0.00 H new ATOM 0 HG12 VAL B 179 -1.965 13.883 0.437 1.00 0.00 H new ATOM 0 HG13 VAL B 179 -2.125 13.908 2.209 1.00 0.00 H new ATOM 0 HG21 VAL B 179 -2.314 16.950 2.511 1.00 0.00 H new ATOM 0 HG22 VAL B 179 -1.308 15.877 3.513 1.00 0.00 H new ATOM 0 HG23 VAL B 179 -0.568 17.258 2.670 1.00 0.00 H new ATOM 904 N ASP B 180 1.147 14.651 -0.739 1.00 0.00 N ATOM 905 CA ASP B 180 1.478 13.859 -1.961 1.00 0.00 C ATOM 906 C ASP B 180 2.767 13.066 -1.737 1.00 0.00 C ATOM 907 O ASP B 180 2.955 12.001 -2.294 1.00 0.00 O ATOM 908 CB ASP B 180 1.668 14.893 -3.073 1.00 0.00 C ATOM 909 CG ASP B 180 1.870 14.175 -4.409 1.00 0.00 C ATOM 910 OD1 ASP B 180 1.213 13.170 -4.624 1.00 0.00 O ATOM 911 OD2 ASP B 180 2.678 14.644 -5.193 1.00 0.00 O ATOM 0 H ASP B 180 1.362 15.646 -0.797 1.00 0.00 H new ATOM 0 HA ASP B 180 0.698 13.139 -2.210 1.00 0.00 H new ATOM 0 HB2 ASP B 180 0.798 15.548 -3.128 1.00 0.00 H new ATOM 0 HB3 ASP B 180 2.529 15.524 -2.854 1.00 0.00 H new ATOM 916 N ARG B 181 3.650 13.578 -0.918 1.00 0.00 N ATOM 917 CA ARG B 181 4.928 12.857 -0.642 1.00 0.00 C ATOM 918 C ARG B 181 4.670 11.677 0.298 1.00 0.00 C ATOM 919 O ARG B 181 5.374 10.685 0.267 1.00 0.00 O ATOM 920 CB ARG B 181 5.837 13.892 0.027 1.00 0.00 C ATOM 921 CG ARG B 181 7.265 13.739 -0.501 1.00 0.00 C ATOM 922 CD ARG B 181 7.312 14.155 -1.973 1.00 0.00 C ATOM 923 NE ARG B 181 8.665 14.748 -2.164 1.00 0.00 N ATOM 924 CZ ARG B 181 9.195 14.796 -3.355 1.00 0.00 C ATOM 925 NH1 ARG B 181 8.514 15.294 -4.351 1.00 0.00 N ATOM 926 NH2 ARG B 181 10.404 14.347 -3.551 1.00 0.00 N ATOM 0 H ARG B 181 3.540 14.466 -0.428 1.00 0.00 H new ATOM 0 HA ARG B 181 5.379 12.451 -1.548 1.00 0.00 H new ATOM 0 HB2 ARG B 181 5.470 14.898 -0.175 1.00 0.00 H new ATOM 0 HB3 ARG B 181 5.822 13.759 1.109 1.00 0.00 H new ATOM 0 HG2 ARG B 181 7.948 14.355 0.084 1.00 0.00 H new ATOM 0 HG3 ARG B 181 7.595 12.706 -0.393 1.00 0.00 H new ATOM 0 HD2 ARG B 181 7.160 13.299 -2.630 1.00 0.00 H new ATOM 0 HD3 ARG B 181 6.529 14.877 -2.204 1.00 0.00 H new ATOM 0 HE ARG B 181 9.177 15.117 -1.363 1.00 0.00 H new ATOM 0 HH11 ARG B 181 7.569 15.645 -4.198 1.00 0.00 H new ATOM 0 HH12 ARG B 181 8.927 15.332 -5.283 1.00 0.00 H new ATOM 0 HH21 ARG B 181 10.936 13.958 -2.773 1.00 0.00 H new ATOM 0 HH22 ARG B 181 10.817 14.385 -4.483 1.00 0.00 H new ATOM 940 N GLU B 182 3.664 11.779 1.130 1.00 0.00 N ATOM 941 CA GLU B 182 3.352 10.662 2.075 1.00 0.00 C ATOM 942 C GLU B 182 2.688 9.508 1.322 1.00 0.00 C ATOM 943 O GLU B 182 2.886 8.351 1.644 1.00 0.00 O ATOM 944 CB GLU B 182 2.388 11.259 3.100 1.00 0.00 C ATOM 945 CG GLU B 182 2.693 10.683 4.484 1.00 0.00 C ATOM 946 CD GLU B 182 1.469 10.847 5.388 1.00 0.00 C ATOM 947 OE1 GLU B 182 0.972 11.957 5.482 1.00 0.00 O ATOM 948 OE2 GLU B 182 1.051 9.860 5.969 1.00 0.00 O ATOM 0 H GLU B 182 3.045 12.587 1.196 1.00 0.00 H new ATOM 0 HA GLU B 182 4.248 10.261 2.549 1.00 0.00 H new ATOM 0 HB2 GLU B 182 2.485 12.345 3.117 1.00 0.00 H new ATOM 0 HB3 GLU B 182 1.359 11.035 2.820 1.00 0.00 H new ATOM 0 HG2 GLU B 182 2.958 9.629 4.400 1.00 0.00 H new ATOM 0 HG3 GLU B 182 3.551 11.193 4.921 1.00 0.00 H new ATOM 955 N ILE B 183 1.907 9.816 0.319 1.00 0.00 N ATOM 956 CA ILE B 183 1.230 8.740 -0.466 1.00 0.00 C ATOM 957 C ILE B 183 2.260 7.995 -1.322 1.00 0.00 C ATOM 958 O ILE B 183 2.097 6.828 -1.626 1.00 0.00 O ATOM 959 CB ILE B 183 0.201 9.464 -1.344 1.00 0.00 C ATOM 960 CG1 ILE B 183 -0.806 10.184 -0.445 1.00 0.00 C ATOM 961 CG2 ILE B 183 -0.543 8.454 -2.222 1.00 0.00 C ATOM 962 CD1 ILE B 183 -1.642 11.151 -1.283 1.00 0.00 C ATOM 0 H ILE B 183 1.708 10.767 0.009 1.00 0.00 H new ATOM 0 HA ILE B 183 0.751 7.997 0.172 1.00 0.00 H new ATOM 0 HB ILE B 183 0.716 10.183 -1.982 1.00 0.00 H new ATOM 0 HG12 ILE B 183 -1.454 9.458 0.046 1.00 0.00 H new ATOM 0 HG13 ILE B 183 -0.283 10.727 0.342 1.00 0.00 H new ATOM 0 HG21 ILE B 183 -1.271 8.977 -2.842 1.00 0.00 H new ATOM 0 HG22 ILE B 183 0.170 7.933 -2.861 1.00 0.00 H new ATOM 0 HG23 ILE B 183 -1.058 7.731 -1.589 1.00 0.00 H new ATOM 0 HD11 ILE B 183 -2.359 11.663 -0.641 1.00 0.00 H new ATOM 0 HD12 ILE B 183 -0.987 11.885 -1.753 1.00 0.00 H new ATOM 0 HD13 ILE B 183 -2.177 10.596 -2.053 1.00 0.00 H new ATOM 974 N THR B 184 3.320 8.661 -1.704 1.00 0.00 N ATOM 975 CA THR B 184 4.369 7.994 -2.534 1.00 0.00 C ATOM 976 C THR B 184 5.145 6.988 -1.683 1.00 0.00 C ATOM 977 O THR B 184 5.553 5.944 -2.160 1.00 0.00 O ATOM 978 CB THR B 184 5.290 9.122 -3.006 1.00 0.00 C ATOM 979 OG1 THR B 184 4.505 10.246 -3.380 1.00 0.00 O ATOM 980 CG2 THR B 184 6.110 8.647 -4.207 1.00 0.00 C ATOM 0 H THR B 184 3.505 9.638 -1.477 1.00 0.00 H new ATOM 0 HA THR B 184 3.943 7.445 -3.374 1.00 0.00 H new ATOM 0 HB THR B 184 5.965 9.402 -2.198 1.00 0.00 H new ATOM 0 HG1 THR B 184 4.383 10.833 -2.604 1.00 0.00 H new ATOM 0 HG21 THR B 184 6.765 9.452 -4.541 1.00 0.00 H new ATOM 0 HG22 THR B 184 6.712 7.785 -3.919 1.00 0.00 H new ATOM 0 HG23 THR B 184 5.438 8.365 -5.018 1.00 0.00 H new ATOM 988 N MET B 185 5.345 7.292 -0.425 1.00 0.00 N ATOM 989 CA MET B 185 6.089 6.352 0.466 1.00 0.00 C ATOM 990 C MET B 185 5.199 5.159 0.818 1.00 0.00 C ATOM 991 O MET B 185 5.650 4.030 0.870 1.00 0.00 O ATOM 992 CB MET B 185 6.425 7.162 1.720 1.00 0.00 C ATOM 993 CG MET B 185 7.836 6.811 2.194 1.00 0.00 C ATOM 994 SD MET B 185 8.018 7.269 3.936 1.00 0.00 S ATOM 995 CE MET B 185 8.877 5.771 4.476 1.00 0.00 C ATOM 0 H MET B 185 5.025 8.151 0.023 1.00 0.00 H new ATOM 0 HA MET B 185 6.988 5.956 -0.007 1.00 0.00 H new ATOM 0 HB2 MET B 185 6.357 8.229 1.505 1.00 0.00 H new ATOM 0 HB3 MET B 185 5.702 6.949 2.508 1.00 0.00 H new ATOM 0 HG2 MET B 185 8.019 5.744 2.066 1.00 0.00 H new ATOM 0 HG3 MET B 185 8.576 7.336 1.590 1.00 0.00 H new ATOM 0 HE1 MET B 185 9.092 5.839 5.542 1.00 0.00 H new ATOM 0 HE2 MET B 185 8.246 4.902 4.288 1.00 0.00 H new ATOM 0 HE3 MET B 185 9.811 5.668 3.923 1.00 0.00 H new ATOM 1005 N VAL B 186 3.933 5.403 1.049 1.00 0.00 N ATOM 1006 CA VAL B 186 3.001 4.287 1.387 1.00 0.00 C ATOM 1007 C VAL B 186 2.695 3.475 0.126 1.00 0.00 C ATOM 1008 O VAL B 186 2.448 2.286 0.189 1.00 0.00 O ATOM 1009 CB VAL B 186 1.732 4.961 1.922 1.00 0.00 C ATOM 1010 CG1 VAL B 186 0.703 3.893 2.307 1.00 0.00 C ATOM 1011 CG2 VAL B 186 2.077 5.796 3.158 1.00 0.00 C ATOM 0 H VAL B 186 3.506 6.329 1.018 1.00 0.00 H new ATOM 0 HA VAL B 186 3.423 3.600 2.121 1.00 0.00 H new ATOM 0 HB VAL B 186 1.316 5.606 1.148 1.00 0.00 H new ATOM 0 HG11 VAL B 186 -0.198 4.376 2.687 1.00 0.00 H new ATOM 0 HG12 VAL B 186 0.453 3.296 1.430 1.00 0.00 H new ATOM 0 HG13 VAL B 186 1.121 3.246 3.079 1.00 0.00 H new ATOM 0 HG21 VAL B 186 1.174 6.275 3.537 1.00 0.00 H new ATOM 0 HG22 VAL B 186 2.496 5.149 3.929 1.00 0.00 H new ATOM 0 HG23 VAL B 186 2.807 6.560 2.889 1.00 0.00 H new ATOM 1021 N GLU B 187 2.719 4.111 -1.017 1.00 0.00 N ATOM 1022 CA GLU B 187 2.439 3.383 -2.291 1.00 0.00 C ATOM 1023 C GLU B 187 3.657 2.550 -2.695 1.00 0.00 C ATOM 1024 O GLU B 187 3.533 1.527 -3.341 1.00 0.00 O ATOM 1025 CB GLU B 187 2.166 4.476 -3.327 1.00 0.00 C ATOM 1026 CG GLU B 187 1.676 3.838 -4.627 1.00 0.00 C ATOM 1027 CD GLU B 187 0.897 4.873 -5.441 1.00 0.00 C ATOM 1028 OE1 GLU B 187 1.453 5.925 -5.709 1.00 0.00 O ATOM 1029 OE2 GLU B 187 -0.241 4.595 -5.783 1.00 0.00 O ATOM 0 H GLU B 187 2.921 5.105 -1.123 1.00 0.00 H new ATOM 0 HA GLU B 187 1.597 2.696 -2.199 1.00 0.00 H new ATOM 0 HB2 GLU B 187 1.419 5.173 -2.947 1.00 0.00 H new ATOM 0 HB3 GLU B 187 3.073 5.051 -3.512 1.00 0.00 H new ATOM 0 HG2 GLU B 187 2.523 3.468 -5.205 1.00 0.00 H new ATOM 0 HG3 GLU B 187 1.041 2.980 -4.407 1.00 0.00 H new ATOM 1036 N GLN B 188 4.834 2.981 -2.313 1.00 0.00 N ATOM 1037 CA GLN B 188 6.066 2.217 -2.667 1.00 0.00 C ATOM 1038 C GLN B 188 6.180 0.967 -1.791 1.00 0.00 C ATOM 1039 O GLN B 188 6.753 -0.029 -2.190 1.00 0.00 O ATOM 1040 CB GLN B 188 7.228 3.175 -2.390 1.00 0.00 C ATOM 1041 CG GLN B 188 8.514 2.620 -3.008 1.00 0.00 C ATOM 1042 CD GLN B 188 8.372 2.551 -4.532 1.00 0.00 C ATOM 1043 OE1 GLN B 188 8.705 1.553 -5.139 1.00 0.00 O ATOM 1044 NE2 GLN B 188 7.890 3.576 -5.180 1.00 0.00 N ATOM 0 H GLN B 188 4.993 3.830 -1.771 1.00 0.00 H new ATOM 0 HA GLN B 188 6.058 1.881 -3.704 1.00 0.00 H new ATOM 0 HB2 GLN B 188 7.008 4.158 -2.806 1.00 0.00 H new ATOM 0 HB3 GLN B 188 7.356 3.305 -1.315 1.00 0.00 H new ATOM 0 HG2 GLN B 188 9.359 3.254 -2.741 1.00 0.00 H new ATOM 0 HG3 GLN B 188 8.721 1.627 -2.608 1.00 0.00 H new ATOM 0 HE21 GLN B 188 7.610 4.415 -4.672 1.00 0.00 H new ATOM 0 HE22 GLN B 188 7.793 3.538 -6.195 1.00 0.00 H new ATOM 1053 N GLN B 189 5.634 1.014 -0.602 1.00 0.00 N ATOM 1054 CA GLN B 189 5.703 -0.172 0.305 1.00 0.00 C ATOM 1055 C GLN B 189 4.743 -1.261 -0.182 1.00 0.00 C ATOM 1056 O GLN B 189 4.976 -2.438 0.020 1.00 0.00 O ATOM 1057 CB GLN B 189 5.275 0.347 1.681 1.00 0.00 C ATOM 1058 CG GLN B 189 6.062 -0.384 2.778 1.00 0.00 C ATOM 1059 CD GLN B 189 6.585 0.629 3.800 1.00 0.00 C ATOM 1060 OE1 GLN B 189 6.027 0.775 4.870 1.00 0.00 O ATOM 1061 NE2 GLN B 189 7.641 1.340 3.513 1.00 0.00 N ATOM 0 H GLN B 189 5.143 1.823 -0.220 1.00 0.00 H new ATOM 0 HA GLN B 189 6.700 -0.613 0.333 1.00 0.00 H new ATOM 0 HB2 GLN B 189 5.452 1.420 1.747 1.00 0.00 H new ATOM 0 HB3 GLN B 189 4.205 0.192 1.822 1.00 0.00 H new ATOM 0 HG2 GLN B 189 5.423 -1.116 3.271 1.00 0.00 H new ATOM 0 HG3 GLN B 189 6.894 -0.933 2.337 1.00 0.00 H new ATOM 0 HE21 GLN B 189 8.110 1.218 2.615 1.00 0.00 H new ATOM 0 HE22 GLN B 189 7.998 2.018 4.186 1.00 0.00 H new ATOM 1070 N ILE B 190 3.671 -0.874 -0.826 1.00 0.00 N ATOM 1071 CA ILE B 190 2.694 -1.884 -1.335 1.00 0.00 C ATOM 1072 C ILE B 190 3.254 -2.557 -2.589 1.00 0.00 C ATOM 1073 O ILE B 190 3.036 -3.730 -2.824 1.00 0.00 O ATOM 1074 CB ILE B 190 1.423 -1.090 -1.658 1.00 0.00 C ATOM 1075 CG1 ILE B 190 0.912 -0.414 -0.382 1.00 0.00 C ATOM 1076 CG2 ILE B 190 0.346 -2.037 -2.197 1.00 0.00 C ATOM 1077 CD1 ILE B 190 -0.287 0.479 -0.713 1.00 0.00 C ATOM 0 H ILE B 190 3.430 0.098 -1.021 1.00 0.00 H new ATOM 0 HA ILE B 190 2.494 -2.674 -0.611 1.00 0.00 H new ATOM 0 HB ILE B 190 1.649 -0.334 -2.411 1.00 0.00 H new ATOM 0 HG12 ILE B 190 0.624 -1.169 0.350 1.00 0.00 H new ATOM 0 HG13 ILE B 190 1.707 0.181 0.069 1.00 0.00 H new ATOM 0 HG21 ILE B 190 -0.556 -1.470 -2.426 1.00 0.00 H new ATOM 0 HG22 ILE B 190 0.709 -2.522 -3.103 1.00 0.00 H new ATOM 0 HG23 ILE B 190 0.118 -2.794 -1.446 1.00 0.00 H new ATOM 0 HD11 ILE B 190 -0.647 0.957 0.198 1.00 0.00 H new ATOM 0 HD12 ILE B 190 0.015 1.243 -1.429 1.00 0.00 H new ATOM 0 HD13 ILE B 190 -1.084 -0.127 -1.144 1.00 0.00 H new ATOM 1089 N SER B 191 3.985 -1.820 -3.385 1.00 0.00 N ATOM 1090 CA SER B 191 4.578 -2.411 -4.624 1.00 0.00 C ATOM 1091 C SER B 191 5.693 -3.384 -4.242 1.00 0.00 C ATOM 1092 O SER B 191 5.937 -4.362 -4.924 1.00 0.00 O ATOM 1093 CB SER B 191 5.140 -1.227 -5.410 1.00 0.00 C ATOM 1094 OG SER B 191 6.243 -0.676 -4.703 1.00 0.00 O ATOM 0 H SER B 191 4.197 -0.834 -3.231 1.00 0.00 H new ATOM 0 HA SER B 191 3.848 -2.967 -5.212 1.00 0.00 H new ATOM 0 HB2 SER B 191 5.454 -1.551 -6.402 1.00 0.00 H new ATOM 0 HB3 SER B 191 4.369 -0.470 -5.551 1.00 0.00 H new ATOM 0 HG SER B 191 6.009 -0.577 -3.757 1.00 0.00 H new ATOM 1100 N LYS B 192 6.365 -3.124 -3.149 1.00 0.00 N ATOM 1101 CA LYS B 192 7.462 -4.033 -2.705 1.00 0.00 C ATOM 1102 C LYS B 192 6.863 -5.280 -2.056 1.00 0.00 C ATOM 1103 O LYS B 192 7.393 -6.369 -2.174 1.00 0.00 O ATOM 1104 CB LYS B 192 8.268 -3.223 -1.686 1.00 0.00 C ATOM 1105 CG LYS B 192 8.861 -1.988 -2.367 1.00 0.00 C ATOM 1106 CD LYS B 192 10.228 -2.337 -2.958 1.00 0.00 C ATOM 1107 CE LYS B 192 11.016 -1.050 -3.219 1.00 0.00 C ATOM 1108 NZ LYS B 192 12.445 -1.438 -3.064 1.00 0.00 N ATOM 0 H LYS B 192 6.200 -2.319 -2.545 1.00 0.00 H new ATOM 0 HA LYS B 192 8.088 -4.369 -3.531 1.00 0.00 H new ATOM 0 HB2 LYS B 192 7.627 -2.922 -0.857 1.00 0.00 H new ATOM 0 HB3 LYS B 192 9.065 -3.837 -1.266 1.00 0.00 H new ATOM 0 HG2 LYS B 192 8.192 -1.637 -3.153 1.00 0.00 H new ATOM 0 HG3 LYS B 192 8.961 -1.176 -1.647 1.00 0.00 H new ATOM 0 HD2 LYS B 192 10.779 -2.980 -2.272 1.00 0.00 H new ATOM 0 HD3 LYS B 192 10.103 -2.894 -3.887 1.00 0.00 H new ATOM 0 HE2 LYS B 192 10.818 -0.661 -4.218 1.00 0.00 H new ATOM 0 HE3 LYS B 192 10.740 -0.268 -2.512 1.00 0.00 H new ATOM 0 HZ1 LYS B 192 13.050 -0.608 -3.228 1.00 0.00 H new ATOM 0 HZ2 LYS B 192 12.605 -1.798 -2.101 1.00 0.00 H new ATOM 0 HZ3 LYS B 192 12.680 -2.179 -3.754 1.00 0.00 H new ATOM 1122 N LEU B 193 5.749 -5.128 -1.383 1.00 0.00 N ATOM 1123 CA LEU B 193 5.097 -6.305 -0.735 1.00 0.00 C ATOM 1124 C LEU B 193 4.468 -7.191 -1.813 1.00 0.00 C ATOM 1125 O LEU B 193 4.400 -8.399 -1.676 1.00 0.00 O ATOM 1126 CB LEU B 193 4.017 -5.723 0.191 1.00 0.00 C ATOM 1127 CG LEU B 193 4.326 -6.093 1.648 1.00 0.00 C ATOM 1128 CD1 LEU B 193 5.010 -4.915 2.344 1.00 0.00 C ATOM 1129 CD2 LEU B 193 3.025 -6.430 2.381 1.00 0.00 C ATOM 0 H LEU B 193 5.264 -4.240 -1.255 1.00 0.00 H new ATOM 0 HA LEU B 193 5.803 -6.919 -0.176 1.00 0.00 H new ATOM 0 HB2 LEU B 193 3.977 -4.639 0.082 1.00 0.00 H new ATOM 0 HB3 LEU B 193 3.037 -6.108 -0.091 1.00 0.00 H new ATOM 0 HG LEU B 193 4.987 -6.959 1.665 1.00 0.00 H new ATOM 0 HD11 LEU B 193 5.228 -5.180 3.378 1.00 0.00 H new ATOM 0 HD12 LEU B 193 5.939 -4.677 1.827 1.00 0.00 H new ATOM 0 HD13 LEU B 193 4.350 -4.047 2.323 1.00 0.00 H new ATOM 0 HD21 LEU B 193 3.248 -6.692 3.415 1.00 0.00 H new ATOM 0 HD22 LEU B 193 2.361 -5.565 2.361 1.00 0.00 H new ATOM 0 HD23 LEU B 193 2.538 -7.273 1.890 1.00 0.00 H new ATOM 1141 N LYS B 194 4.018 -6.595 -2.891 1.00 0.00 N ATOM 1142 CA LYS B 194 3.402 -7.396 -3.991 1.00 0.00 C ATOM 1143 C LYS B 194 4.471 -8.275 -4.642 1.00 0.00 C ATOM 1144 O LYS B 194 4.235 -9.429 -4.945 1.00 0.00 O ATOM 1145 CB LYS B 194 2.864 -6.369 -4.990 1.00 0.00 C ATOM 1146 CG LYS B 194 1.545 -6.873 -5.579 1.00 0.00 C ATOM 1147 CD LYS B 194 0.428 -6.713 -4.546 1.00 0.00 C ATOM 1148 CE LYS B 194 -0.850 -7.370 -5.069 1.00 0.00 C ATOM 1149 NZ LYS B 194 -1.962 -6.595 -4.452 1.00 0.00 N ATOM 0 H LYS B 194 4.051 -5.589 -3.055 1.00 0.00 H new ATOM 0 HA LYS B 194 2.610 -8.055 -3.635 1.00 0.00 H new ATOM 0 HB2 LYS B 194 2.711 -5.410 -4.495 1.00 0.00 H new ATOM 0 HB3 LYS B 194 3.591 -6.204 -5.786 1.00 0.00 H new ATOM 0 HG2 LYS B 194 1.301 -6.314 -6.483 1.00 0.00 H new ATOM 0 HG3 LYS B 194 1.640 -7.920 -5.868 1.00 0.00 H new ATOM 0 HD2 LYS B 194 0.724 -7.170 -3.602 1.00 0.00 H new ATOM 0 HD3 LYS B 194 0.251 -5.656 -4.347 1.00 0.00 H new ATOM 0 HE2 LYS B 194 -0.897 -7.330 -6.157 1.00 0.00 H new ATOM 0 HE3 LYS B 194 -0.897 -8.422 -4.786 1.00 0.00 H new ATOM 0 HZ1 LYS B 194 -2.873 -6.987 -4.764 1.00 0.00 H new ATOM 0 HZ2 LYS B 194 -1.895 -6.657 -3.416 1.00 0.00 H new ATOM 0 HZ3 LYS B 194 -1.895 -5.599 -4.744 1.00 0.00 H new ATOM 1163 N LYS B 195 5.648 -7.738 -4.844 1.00 0.00 N ATOM 1164 CA LYS B 195 6.744 -8.544 -5.461 1.00 0.00 C ATOM 1165 C LYS B 195 7.230 -9.588 -4.456 1.00 0.00 C ATOM 1166 O LYS B 195 7.634 -10.675 -4.821 1.00 0.00 O ATOM 1167 CB LYS B 195 7.853 -7.540 -5.782 1.00 0.00 C ATOM 1168 CG LYS B 195 8.768 -8.117 -6.863 1.00 0.00 C ATOM 1169 CD LYS B 195 8.130 -7.908 -8.238 1.00 0.00 C ATOM 1170 CE LYS B 195 9.090 -8.392 -9.326 1.00 0.00 C ATOM 1171 NZ LYS B 195 8.515 -7.879 -10.601 1.00 0.00 N ATOM 0 H LYS B 195 5.897 -6.777 -4.608 1.00 0.00 H new ATOM 0 HA LYS B 195 6.423 -9.077 -6.356 1.00 0.00 H new ATOM 0 HB2 LYS B 195 7.419 -6.600 -6.122 1.00 0.00 H new ATOM 0 HB3 LYS B 195 8.429 -7.319 -4.883 1.00 0.00 H new ATOM 0 HG2 LYS B 195 9.743 -7.632 -6.826 1.00 0.00 H new ATOM 0 HG3 LYS B 195 8.933 -9.180 -6.685 1.00 0.00 H new ATOM 0 HD2 LYS B 195 7.188 -8.454 -8.300 1.00 0.00 H new ATOM 0 HD3 LYS B 195 7.898 -6.853 -8.386 1.00 0.00 H new ATOM 0 HE2 LYS B 195 10.097 -8.007 -9.164 1.00 0.00 H new ATOM 0 HE3 LYS B 195 9.162 -9.480 -9.334 1.00 0.00 H new ATOM 0 HZ1 LYS B 195 9.119 -8.170 -11.396 1.00 0.00 H new ATOM 0 HZ2 LYS B 195 7.559 -8.267 -10.732 1.00 0.00 H new ATOM 0 HZ3 LYS B 195 8.465 -6.841 -10.567 1.00 0.00 H new ATOM 1185 N LYS B 196 7.173 -9.265 -3.189 1.00 0.00 N ATOM 1186 CA LYS B 196 7.612 -10.236 -2.143 1.00 0.00 C ATOM 1187 C LYS B 196 6.637 -11.413 -2.110 1.00 0.00 C ATOM 1188 O LYS B 196 7.014 -12.538 -1.840 1.00 0.00 O ATOM 1189 CB LYS B 196 7.566 -9.457 -0.824 1.00 0.00 C ATOM 1190 CG LYS B 196 8.026 -10.356 0.325 1.00 0.00 C ATOM 1191 CD LYS B 196 7.334 -9.923 1.620 1.00 0.00 C ATOM 1192 CE LYS B 196 5.830 -10.182 1.508 1.00 0.00 C ATOM 1193 NZ LYS B 196 5.418 -10.640 2.865 1.00 0.00 N ATOM 0 H LYS B 196 6.841 -8.369 -2.834 1.00 0.00 H new ATOM 0 HA LYS B 196 8.607 -10.638 -2.331 1.00 0.00 H new ATOM 0 HB2 LYS B 196 8.206 -8.577 -0.888 1.00 0.00 H new ATOM 0 HB3 LYS B 196 6.553 -9.101 -0.636 1.00 0.00 H new ATOM 0 HG2 LYS B 196 7.789 -11.397 0.104 1.00 0.00 H new ATOM 0 HG3 LYS B 196 9.108 -10.293 0.440 1.00 0.00 H new ATOM 0 HD2 LYS B 196 7.746 -10.473 2.466 1.00 0.00 H new ATOM 0 HD3 LYS B 196 7.518 -8.865 1.807 1.00 0.00 H new ATOM 0 HE2 LYS B 196 5.294 -9.279 1.216 1.00 0.00 H new ATOM 0 HE3 LYS B 196 5.614 -10.938 0.753 1.00 0.00 H new ATOM 0 HZ1 LYS B 196 5.289 -11.672 2.859 1.00 0.00 H new ATOM 0 HZ2 LYS B 196 6.154 -10.388 3.555 1.00 0.00 H new ATOM 0 HZ3 LYS B 196 4.523 -10.181 3.130 1.00 0.00 H new ATOM 1207 N GLN B 197 5.386 -11.157 -2.396 1.00 0.00 N ATOM 1208 CA GLN B 197 4.373 -12.256 -2.399 1.00 0.00 C ATOM 1209 C GLN B 197 4.708 -13.256 -3.508 1.00 0.00 C ATOM 1210 O GLN B 197 4.427 -14.435 -3.399 1.00 0.00 O ATOM 1211 CB GLN B 197 3.030 -11.568 -2.673 1.00 0.00 C ATOM 1212 CG GLN B 197 1.964 -12.120 -1.723 1.00 0.00 C ATOM 1213 CD GLN B 197 1.569 -13.530 -2.161 1.00 0.00 C ATOM 1214 OE1 GLN B 197 1.438 -13.799 -3.339 1.00 0.00 O ATOM 1215 NE2 GLN B 197 1.374 -14.450 -1.255 1.00 0.00 N ATOM 0 H GLN B 197 5.022 -10.233 -2.628 1.00 0.00 H new ATOM 0 HA GLN B 197 4.351 -12.809 -1.460 1.00 0.00 H new ATOM 0 HB2 GLN B 197 3.128 -10.491 -2.538 1.00 0.00 H new ATOM 0 HB3 GLN B 197 2.730 -11.734 -3.708 1.00 0.00 H new ATOM 0 HG2 GLN B 197 2.346 -12.139 -0.702 1.00 0.00 H new ATOM 0 HG3 GLN B 197 1.089 -11.469 -1.724 1.00 0.00 H new ATOM 0 HE21 GLN B 197 1.484 -14.224 -0.267 1.00 0.00 H new ATOM 0 HE22 GLN B 197 1.112 -15.395 -1.536 1.00 0.00 H new ATOM 1224 N GLN B 198 5.313 -12.789 -4.572 1.00 0.00 N ATOM 1225 CA GLN B 198 5.681 -13.703 -5.695 1.00 0.00 C ATOM 1226 C GLN B 198 6.666 -14.761 -5.200 1.00 0.00 C ATOM 1227 O GLN B 198 6.520 -15.937 -5.474 1.00 0.00 O ATOM 1228 CB GLN B 198 6.342 -12.811 -6.746 1.00 0.00 C ATOM 1229 CG GLN B 198 6.068 -13.376 -8.141 1.00 0.00 C ATOM 1230 CD GLN B 198 4.619 -13.085 -8.533 1.00 0.00 C ATOM 1231 OE1 GLN B 198 3.892 -13.976 -8.923 1.00 0.00 O ATOM 1232 NE2 GLN B 198 4.166 -11.865 -8.445 1.00 0.00 N ATOM 0 H GLN B 198 5.568 -11.811 -4.711 1.00 0.00 H new ATOM 0 HA GLN B 198 4.815 -14.227 -6.100 1.00 0.00 H new ATOM 0 HB2 GLN B 198 5.955 -11.795 -6.671 1.00 0.00 H new ATOM 0 HB3 GLN B 198 7.416 -12.757 -6.569 1.00 0.00 H new ATOM 0 HG2 GLN B 198 6.749 -12.930 -8.866 1.00 0.00 H new ATOM 0 HG3 GLN B 198 6.250 -14.451 -8.152 1.00 0.00 H new ATOM 0 HE21 GLN B 198 4.777 -11.117 -8.117 1.00 0.00 H new ATOM 0 HE22 GLN B 198 3.201 -11.659 -8.704 1.00 0.00 H new ATOM 1241 N GLN B 199 7.664 -14.343 -4.468 1.00 0.00 N ATOM 1242 CA GLN B 199 8.670 -15.316 -3.940 1.00 0.00 C ATOM 1243 C GLN B 199 7.983 -16.319 -3.010 1.00 0.00 C ATOM 1244 O GLN B 199 8.306 -17.492 -3.001 1.00 0.00 O ATOM 1245 CB GLN B 199 9.684 -14.471 -3.165 1.00 0.00 C ATOM 1246 CG GLN B 199 10.786 -13.999 -4.114 1.00 0.00 C ATOM 1247 CD GLN B 199 10.227 -12.927 -5.053 1.00 0.00 C ATOM 1248 OE1 GLN B 199 9.702 -13.238 -6.104 1.00 0.00 O ATOM 1249 NE2 GLN B 199 10.319 -11.670 -4.716 1.00 0.00 N ATOM 0 H GLN B 199 7.828 -13.369 -4.212 1.00 0.00 H new ATOM 0 HA GLN B 199 9.149 -15.888 -4.735 1.00 0.00 H new ATOM 0 HB2 GLN B 199 9.188 -13.613 -2.712 1.00 0.00 H new ATOM 0 HB3 GLN B 199 10.115 -15.056 -2.352 1.00 0.00 H new ATOM 0 HG2 GLN B 199 11.624 -13.597 -3.544 1.00 0.00 H new ATOM 0 HG3 GLN B 199 11.168 -14.841 -4.692 1.00 0.00 H new ATOM 0 HE21 GLN B 199 10.760 -11.409 -3.834 1.00 0.00 H new ATOM 0 HE22 GLN B 199 9.950 -10.948 -5.335 1.00 0.00 H new ATOM 1258 N LEU B 200 7.031 -15.864 -2.235 1.00 0.00 N ATOM 1259 CA LEU B 200 6.309 -16.787 -1.309 1.00 0.00 C ATOM 1260 C LEU B 200 5.358 -17.679 -2.109 1.00 0.00 C ATOM 1261 O LEU B 200 5.139 -18.827 -1.771 1.00 0.00 O ATOM 1262 CB LEU B 200 5.525 -15.877 -0.361 1.00 0.00 C ATOM 1263 CG LEU B 200 5.150 -16.656 0.900 1.00 0.00 C ATOM 1264 CD1 LEU B 200 6.301 -16.587 1.904 1.00 0.00 C ATOM 1265 CD2 LEU B 200 3.893 -16.041 1.523 1.00 0.00 C ATOM 0 H LEU B 200 6.723 -14.892 -2.204 1.00 0.00 H new ATOM 0 HA LEU B 200 6.987 -17.443 -0.763 1.00 0.00 H new ATOM 0 HB2 LEU B 200 6.124 -15.005 -0.098 1.00 0.00 H new ATOM 0 HB3 LEU B 200 4.626 -15.508 -0.854 1.00 0.00 H new ATOM 0 HG LEU B 200 4.957 -17.697 0.640 1.00 0.00 H new ATOM 0 HD11 LEU B 200 6.033 -17.142 2.803 1.00 0.00 H new ATOM 0 HD12 LEU B 200 7.197 -17.023 1.461 1.00 0.00 H new ATOM 0 HD13 LEU B 200 6.495 -15.546 2.165 1.00 0.00 H new ATOM 0 HD21 LEU B 200 3.624 -16.595 2.422 1.00 0.00 H new ATOM 0 HD22 LEU B 200 4.087 -15.000 1.783 1.00 0.00 H new ATOM 0 HD23 LEU B 200 3.072 -16.089 0.808 1.00 0.00 H new ATOM 1277 N GLU B 201 4.800 -17.157 -3.171 1.00 0.00 N ATOM 1278 CA GLU B 201 3.867 -17.968 -4.008 1.00 0.00 C ATOM 1279 C GLU B 201 4.666 -18.937 -4.879 1.00 0.00 C ATOM 1280 O GLU B 201 4.236 -20.043 -5.149 1.00 0.00 O ATOM 1281 CB GLU B 201 3.119 -16.954 -4.876 1.00 0.00 C ATOM 1282 CG GLU B 201 1.773 -16.622 -4.231 1.00 0.00 C ATOM 1283 CD GLU B 201 0.943 -15.767 -5.191 1.00 0.00 C ATOM 1284 OE1 GLU B 201 1.465 -14.776 -5.672 1.00 0.00 O ATOM 1285 OE2 GLU B 201 -0.202 -16.119 -5.427 1.00 0.00 O ATOM 0 H GLU B 201 4.951 -16.202 -3.495 1.00 0.00 H new ATOM 0 HA GLU B 201 3.180 -18.564 -3.407 1.00 0.00 H new ATOM 0 HB2 GLU B 201 3.714 -16.047 -4.988 1.00 0.00 H new ATOM 0 HB3 GLU B 201 2.965 -17.360 -5.876 1.00 0.00 H new ATOM 0 HG2 GLU B 201 1.237 -17.540 -3.989 1.00 0.00 H new ATOM 0 HG3 GLU B 201 1.929 -16.088 -3.294 1.00 0.00 H new