USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 560 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 81 GLN : amide:sc= -4.67! K(o=-5.3!,f=-1.3) USER MOD Set 1.2: B 84 MET CE :methyl 168:sc= -0.615 (180deg=-0.69) USER MOD Set 2.1: A 23 ASN : amide:sc= 0.731 K(o=0.69,f=-0.73) USER MOD Set 2.2: A 24 ASN : amide:sc= -0.0434 K(o=0.69,f=-0.38) USER MOD Single : A 17 GLN : amide:sc= -3.76! C(o=-3.8!,f=-3.3!) USER MOD Single : A 18 ASN : amide:sc= 0.663 K(o=0.66,f=-0.29) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0752 USER MOD Single : A 42 GLN : amide:sc= -3.47! K(o=-3.5!,f=-1.1) USER MOD Single : A 44 THR OG1 : rot -72:sc= 1.21 USER MOD Single : A 48 THR OG1 : rot 63:sc= -1.18! USER MOD Single : A 49 SER OG : rot 97:sc= 1.28 USER MOD Single : A 50 LYS NZ :NH3+ 168:sc=-0.00228 (180deg=-0.147) USER MOD Single : A 53 TYR OH : rot -119:sc= 0.147 USER MOD Single : A 59 GLN : amide:sc= 0.0361 K(o=0.036,f=-1.1) USER MOD Single : A 67 GLN : amide:sc= -1.87! K(o=-1.9!,f=-0.07) USER MOD Single : A 69 MET CE :methyl 133:sc= -2.39! (180deg=-4.37!) USER MOD Single : B 85 GLN : amide:sc= -0.0205 K(o=-0.02,f=-1.1!) USER MOD Single : B 86 HIS : no HD1:sc= -0.745 K(o=1.1,f=-9.1!) USER MOD Single : B 90 HIS : no HD1:sc= -1.67 K(o=-1.7,f=-0.44) USER MOD Single : B 93 GLN : amide:sc= 0.319 X(o=0.32,f=-0.022) USER MOD ----------------------------------------------------------------- ATOM 168 N VAL A 12 -1.053 10.072 -3.063 1.00 0.00 N ATOM 169 CA VAL A 12 -0.989 9.854 -1.604 1.00 0.00 C ATOM 170 C VAL A 12 0.420 9.975 -1.004 1.00 0.00 C ATOM 171 O VAL A 12 0.607 10.659 0.005 1.00 0.00 O ATOM 172 CB VAL A 12 -1.676 8.534 -1.150 1.00 0.00 C ATOM 173 CG1 VAL A 12 -0.870 7.285 -1.478 1.00 0.00 C ATOM 174 CG2 VAL A 12 -1.979 8.594 0.334 1.00 0.00 C ATOM 0 HA VAL A 12 -1.566 10.684 -1.196 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.603 8.453 -1.717 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.409 6.403 -1.133 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.721 7.221 -2.556 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.098 7.336 -0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.460 7.667 0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.051 8.725 0.890 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.645 9.433 0.536 1.00 0.00 H new ATOM 184 N GLY A 13 1.394 9.335 -1.614 1.00 0.00 N ATOM 185 CA GLY A 13 2.746 9.356 -1.110 1.00 0.00 C ATOM 186 C GLY A 13 3.533 8.198 -1.664 1.00 0.00 C ATOM 187 O GLY A 13 4.335 7.582 -0.966 1.00 0.00 O ATOM 0 H GLY A 13 1.271 8.790 -2.467 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.228 10.295 -1.383 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.735 9.308 -0.021 1.00 0.00 H new ATOM 191 N TRP A 14 3.287 7.904 -2.930 1.00 0.00 N ATOM 192 CA TRP A 14 3.878 6.752 -3.581 1.00 0.00 C ATOM 193 C TRP A 14 4.695 7.172 -4.797 1.00 0.00 C ATOM 194 O TRP A 14 4.249 7.984 -5.608 1.00 0.00 O ATOM 195 CB TRP A 14 2.776 5.767 -3.993 1.00 0.00 C ATOM 196 CG TRP A 14 3.236 4.720 -4.957 1.00 0.00 C ATOM 197 CD1 TRP A 14 3.925 3.582 -4.666 1.00 0.00 C ATOM 198 CD2 TRP A 14 3.044 4.724 -6.376 1.00 0.00 C ATOM 199 NE1 TRP A 14 4.180 2.879 -5.818 1.00 0.00 N ATOM 200 CE2 TRP A 14 3.646 3.558 -6.880 1.00 0.00 C ATOM 201 CE3 TRP A 14 2.420 5.603 -7.270 1.00 0.00 C ATOM 202 CZ2 TRP A 14 3.642 3.246 -8.234 1.00 0.00 C ATOM 203 CZ3 TRP A 14 2.418 5.289 -8.616 1.00 0.00 C ATOM 204 CH2 TRP A 14 3.025 4.118 -9.086 1.00 0.00 C ATOM 0 H TRP A 14 2.675 8.456 -3.531 1.00 0.00 H new ATOM 0 HA TRP A 14 4.551 6.263 -2.877 1.00 0.00 H new ATOM 0 HB2 TRP A 14 2.384 5.280 -3.100 1.00 0.00 H new ATOM 0 HB3 TRP A 14 1.952 6.323 -4.440 1.00 0.00 H new ATOM 0 HD1 TRP A 14 4.227 3.277 -3.675 1.00 0.00 H new ATOM 0 HE1 TRP A 14 4.685 1.995 -5.873 1.00 0.00 H new ATOM 0 HE3 TRP A 14 1.950 6.508 -6.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.111 2.345 -8.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 1.940 5.958 -9.317 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.005 3.900 -10.143 1.00 0.00 H new ATOM 215 N ASP A 15 5.897 6.630 -4.904 1.00 0.00 N ATOM 216 CA ASP A 15 6.732 6.825 -6.077 1.00 0.00 C ATOM 217 C ASP A 15 6.807 5.527 -6.871 1.00 0.00 C ATOM 218 O ASP A 15 6.919 4.452 -6.287 1.00 0.00 O ATOM 219 CB ASP A 15 8.138 7.276 -5.672 1.00 0.00 C ATOM 220 CG ASP A 15 9.071 7.464 -6.853 1.00 0.00 C ATOM 221 OD1 ASP A 15 9.666 6.465 -7.315 1.00 0.00 O ATOM 222 OD2 ASP A 15 9.208 8.611 -7.331 1.00 0.00 O ATOM 0 H ASP A 15 6.320 6.045 -4.183 1.00 0.00 H new ATOM 0 HA ASP A 15 6.289 7.604 -6.697 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.067 8.214 -5.121 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.567 6.539 -4.993 1.00 0.00 H new ATOM 227 N PRO A 16 6.736 5.618 -8.202 1.00 0.00 N ATOM 228 CA PRO A 16 6.661 4.464 -9.105 1.00 0.00 C ATOM 229 C PRO A 16 7.619 3.327 -8.734 1.00 0.00 C ATOM 230 O PRO A 16 7.204 2.170 -8.615 1.00 0.00 O ATOM 231 CB PRO A 16 7.026 5.051 -10.478 1.00 0.00 C ATOM 232 CG PRO A 16 7.385 6.484 -10.239 1.00 0.00 C ATOM 233 CD PRO A 16 6.736 6.870 -8.944 1.00 0.00 C ATOM 0 HA PRO A 16 5.674 4.003 -9.066 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.861 4.510 -10.923 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.188 4.970 -11.171 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.466 6.610 -10.185 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.031 7.115 -11.054 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.297 7.648 -8.426 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.726 7.252 -9.095 1.00 0.00 H new ATOM 241 N GLN A 17 8.895 3.649 -8.550 1.00 0.00 N ATOM 242 CA GLN A 17 9.891 2.629 -8.245 1.00 0.00 C ATOM 243 C GLN A 17 10.291 2.645 -6.775 1.00 0.00 C ATOM 244 O GLN A 17 10.636 1.607 -6.209 1.00 0.00 O ATOM 245 CB GLN A 17 11.141 2.791 -9.109 1.00 0.00 C ATOM 246 CG GLN A 17 10.876 2.752 -10.607 1.00 0.00 C ATOM 247 CD GLN A 17 10.413 4.084 -11.165 1.00 0.00 C ATOM 248 OE1 GLN A 17 9.632 4.131 -12.113 1.00 0.00 O ATOM 249 NE2 GLN A 17 10.911 5.172 -10.598 1.00 0.00 N ATOM 0 H GLN A 17 9.261 4.599 -8.606 1.00 0.00 H new ATOM 0 HA GLN A 17 9.424 1.670 -8.469 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.620 3.738 -8.861 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.848 2.001 -8.856 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.786 2.446 -11.123 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.120 1.995 -10.817 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.557 5.088 -9.813 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.649 6.094 -10.946 1.00 0.00 H new ATOM 258 N ASN A 18 10.256 3.817 -6.155 1.00 0.00 N ATOM 259 CA ASN A 18 10.717 3.953 -4.776 1.00 0.00 C ATOM 260 C ASN A 18 9.651 3.498 -3.789 1.00 0.00 C ATOM 261 O ASN A 18 9.939 3.255 -2.617 1.00 0.00 O ATOM 262 CB ASN A 18 11.129 5.394 -4.472 1.00 0.00 C ATOM 263 CG ASN A 18 12.357 5.830 -5.250 1.00 0.00 C ATOM 264 OD1 ASN A 18 13.488 5.664 -4.797 1.00 0.00 O ATOM 265 ND2 ASN A 18 12.146 6.389 -6.429 1.00 0.00 N ATOM 0 H ASN A 18 9.917 4.681 -6.578 1.00 0.00 H new ATOM 0 HA ASN A 18 11.590 3.310 -4.662 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.300 6.062 -4.706 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.326 5.493 -3.405 1.00 0.00 H new ATOM 0 HD21 ASN A 18 12.936 6.699 -6.995 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.193 6.511 -6.773 1.00 0.00 H new ATOM 272 N GLY A 19 8.423 3.387 -4.268 1.00 0.00 N ATOM 273 CA GLY A 19 7.347 2.911 -3.435 1.00 0.00 C ATOM 274 C GLY A 19 6.748 4.004 -2.582 1.00 0.00 C ATOM 275 O GLY A 19 6.935 5.193 -2.851 1.00 0.00 O ATOM 0 H GLY A 19 8.154 3.620 -5.224 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.569 2.478 -4.064 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.716 2.113 -2.791 1.00 0.00 H new ATOM 279 N PHE A 20 6.021 3.601 -1.558 1.00 0.00 N ATOM 280 CA PHE A 20 5.409 4.541 -0.636 1.00 0.00 C ATOM 281 C PHE A 20 6.465 5.139 0.275 1.00 0.00 C ATOM 282 O PHE A 20 7.394 4.455 0.708 1.00 0.00 O ATOM 283 CB PHE A 20 4.335 3.856 0.217 1.00 0.00 C ATOM 284 CG PHE A 20 3.046 3.569 -0.506 1.00 0.00 C ATOM 285 CD1 PHE A 20 2.905 2.423 -1.271 1.00 0.00 C ATOM 286 CD2 PHE A 20 1.969 4.439 -0.404 1.00 0.00 C ATOM 287 CE1 PHE A 20 1.719 2.149 -1.921 1.00 0.00 C ATOM 288 CE2 PHE A 20 0.779 4.172 -1.053 1.00 0.00 C ATOM 289 CZ PHE A 20 0.654 3.025 -1.815 1.00 0.00 C ATOM 0 H PHE A 20 5.838 2.621 -1.342 1.00 0.00 H new ATOM 0 HA PHE A 20 4.939 5.330 -1.224 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.738 2.918 0.600 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.119 4.486 1.080 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.733 1.736 -1.360 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.063 5.336 0.190 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.622 1.251 -2.512 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.051 4.857 -0.965 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.273 2.814 -2.326 1.00 0.00 H new ATOM 299 N ASP A 21 6.333 6.418 0.556 1.00 0.00 N ATOM 300 CA ASP A 21 7.212 7.063 1.510 1.00 0.00 C ATOM 301 C ASP A 21 6.784 6.690 2.912 1.00 0.00 C ATOM 302 O ASP A 21 5.872 7.293 3.469 1.00 0.00 O ATOM 303 CB ASP A 21 7.204 8.583 1.344 1.00 0.00 C ATOM 304 CG ASP A 21 8.294 9.069 0.412 1.00 0.00 C ATOM 305 OD1 ASP A 21 9.414 9.342 0.888 1.00 0.00 O ATOM 306 OD2 ASP A 21 8.035 9.178 -0.806 1.00 0.00 O ATOM 0 H ASP A 21 5.630 7.029 0.141 1.00 0.00 H new ATOM 0 HA ASP A 21 8.230 6.719 1.328 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.234 8.898 0.960 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.328 9.053 2.320 1.00 0.00 H new ATOM 311 N VAL A 22 7.433 5.681 3.475 1.00 0.00 N ATOM 312 CA VAL A 22 7.116 5.215 4.820 1.00 0.00 C ATOM 313 C VAL A 22 7.356 6.324 5.851 1.00 0.00 C ATOM 314 O VAL A 22 6.829 6.288 6.961 1.00 0.00 O ATOM 315 CB VAL A 22 7.930 3.944 5.167 1.00 0.00 C ATOM 316 CG1 VAL A 22 9.426 4.208 5.124 1.00 0.00 C ATOM 317 CG2 VAL A 22 7.510 3.370 6.513 1.00 0.00 C ATOM 0 H VAL A 22 8.186 5.166 3.019 1.00 0.00 H new ATOM 0 HA VAL A 22 6.058 4.954 4.850 1.00 0.00 H new ATOM 0 HB VAL A 22 7.709 3.198 4.404 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.964 3.293 5.373 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.709 4.535 4.123 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.679 4.985 5.845 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.099 2.479 6.728 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.677 4.113 7.293 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.453 3.107 6.482 1.00 0.00 H new ATOM 327 N ASN A 23 8.122 7.333 5.455 1.00 0.00 N ATOM 328 CA ASN A 23 8.374 8.490 6.308 1.00 0.00 C ATOM 329 C ASN A 23 7.243 9.517 6.188 1.00 0.00 C ATOM 330 O ASN A 23 7.151 10.445 6.985 1.00 0.00 O ATOM 331 CB ASN A 23 9.715 9.143 5.947 1.00 0.00 C ATOM 332 CG ASN A 23 9.715 9.749 4.555 1.00 0.00 C ATOM 333 OD1 ASN A 23 9.387 10.918 4.373 1.00 0.00 O ATOM 334 ND2 ASN A 23 10.114 8.968 3.567 1.00 0.00 N ATOM 0 H ASN A 23 8.581 7.374 4.545 1.00 0.00 H new ATOM 0 HA ASN A 23 8.416 8.142 7.340 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.945 9.919 6.677 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.507 8.398 6.014 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.157 9.332 2.615 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.379 8.001 3.756 1.00 0.00 H new ATOM 341 N ASN A 24 6.380 9.337 5.194 1.00 0.00 N ATOM 342 CA ASN A 24 5.286 10.273 4.935 1.00 0.00 C ATOM 343 C ASN A 24 3.971 9.530 4.739 1.00 0.00 C ATOM 344 O ASN A 24 3.067 10.014 4.055 1.00 0.00 O ATOM 345 CB ASN A 24 5.582 11.114 3.687 1.00 0.00 C ATOM 346 CG ASN A 24 6.557 12.248 3.945 1.00 0.00 C ATOM 347 OD1 ASN A 24 6.593 12.816 5.036 1.00 0.00 O ATOM 348 ND2 ASN A 24 7.363 12.576 2.945 1.00 0.00 N ATOM 0 H ASN A 24 6.416 8.547 4.550 1.00 0.00 H new ATOM 0 HA ASN A 24 5.198 10.929 5.801 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.986 10.467 2.909 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.648 11.527 3.306 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.045 13.325 3.065 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.301 12.080 2.056 1.00 0.00 H new ATOM 355 N LEU A 25 3.866 8.359 5.345 1.00 0.00 N ATOM 356 CA LEU A 25 2.692 7.516 5.170 1.00 0.00 C ATOM 357 C LEU A 25 1.470 8.087 5.872 1.00 0.00 C ATOM 358 O LEU A 25 1.550 8.561 7.008 1.00 0.00 O ATOM 359 CB LEU A 25 2.961 6.101 5.680 1.00 0.00 C ATOM 360 CG LEU A 25 3.667 5.176 4.696 1.00 0.00 C ATOM 361 CD1 LEU A 25 4.010 3.859 5.366 1.00 0.00 C ATOM 362 CD2 LEU A 25 2.793 4.933 3.478 1.00 0.00 C ATOM 0 H LEU A 25 4.578 7.969 5.962 1.00 0.00 H new ATOM 0 HA LEU A 25 2.483 7.483 4.101 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.563 6.168 6.586 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.011 5.647 5.961 1.00 0.00 H new ATOM 0 HG LEU A 25 4.591 5.655 4.372 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.514 3.208 4.652 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.668 4.043 6.216 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.095 3.378 5.713 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.311 4.271 2.785 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.856 4.471 3.789 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.584 5.882 2.985 1.00 0.00 H new ATOM 374 N ASP A 26 0.350 8.048 5.164 1.00 0.00 N ATOM 375 CA ASP A 26 -0.950 8.405 5.718 1.00 0.00 C ATOM 376 C ASP A 26 -1.271 7.498 6.901 1.00 0.00 C ATOM 377 O ASP A 26 -1.131 6.279 6.816 1.00 0.00 O ATOM 378 CB ASP A 26 -2.019 8.263 4.628 1.00 0.00 C ATOM 379 CG ASP A 26 -3.437 8.368 5.156 1.00 0.00 C ATOM 380 OD1 ASP A 26 -4.007 7.331 5.538 1.00 0.00 O ATOM 381 OD2 ASP A 26 -3.991 9.488 5.166 1.00 0.00 O ATOM 0 H ASP A 26 0.317 7.767 4.184 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.933 9.437 6.067 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.862 9.034 3.874 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.895 7.301 4.131 1.00 0.00 H new ATOM 386 N PRO A 27 -1.679 8.110 8.030 1.00 0.00 N ATOM 387 CA PRO A 27 -1.954 7.406 9.293 1.00 0.00 C ATOM 388 C PRO A 27 -2.904 6.222 9.144 1.00 0.00 C ATOM 389 O PRO A 27 -2.772 5.224 9.858 1.00 0.00 O ATOM 390 CB PRO A 27 -2.597 8.482 10.167 1.00 0.00 C ATOM 391 CG PRO A 27 -2.068 9.767 9.637 1.00 0.00 C ATOM 392 CD PRO A 27 -1.888 9.564 8.160 1.00 0.00 C ATOM 0 HA PRO A 27 -1.041 6.973 9.702 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.685 8.446 10.104 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.334 8.349 11.216 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.760 10.585 9.837 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.122 10.025 10.113 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.763 9.894 7.601 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.036 10.127 7.779 1.00 0.00 H new ATOM 400 N ASP A 28 -3.855 6.331 8.226 1.00 0.00 N ATOM 401 CA ASP A 28 -4.817 5.261 8.002 1.00 0.00 C ATOM 402 C ASP A 28 -4.193 4.170 7.144 1.00 0.00 C ATOM 403 O ASP A 28 -4.323 2.984 7.446 1.00 0.00 O ATOM 404 CB ASP A 28 -6.088 5.795 7.333 1.00 0.00 C ATOM 405 CG ASP A 28 -6.839 6.796 8.192 1.00 0.00 C ATOM 406 OD1 ASP A 28 -7.638 6.372 9.051 1.00 0.00 O ATOM 407 OD2 ASP A 28 -6.629 8.018 8.019 1.00 0.00 O ATOM 0 H ASP A 28 -3.981 7.147 7.626 1.00 0.00 H new ATOM 0 HA ASP A 28 -5.093 4.842 8.970 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.823 6.265 6.386 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.747 4.959 7.100 1.00 0.00 H new ATOM 412 N LEU A 29 -3.505 4.568 6.080 1.00 0.00 N ATOM 413 CA LEU A 29 -2.802 3.613 5.231 1.00 0.00 C ATOM 414 C LEU A 29 -1.742 2.860 6.024 1.00 0.00 C ATOM 415 O LEU A 29 -1.579 1.654 5.866 1.00 0.00 O ATOM 416 CB LEU A 29 -2.144 4.326 4.057 1.00 0.00 C ATOM 417 CG LEU A 29 -3.099 4.996 3.078 1.00 0.00 C ATOM 418 CD1 LEU A 29 -2.307 5.680 1.986 1.00 0.00 C ATOM 419 CD2 LEU A 29 -4.068 3.984 2.487 1.00 0.00 C ATOM 0 H LEU A 29 -3.419 5.541 5.785 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.535 2.900 4.854 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.464 5.082 4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.538 3.604 3.510 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.686 5.743 3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.991 6.159 1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.654 6.433 2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.704 4.942 1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.740 4.487 1.791 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.510 3.211 1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.650 3.527 3.287 1.00 0.00 H new ATOM 431 N ARG A 30 -1.035 3.582 6.883 1.00 0.00 N ATOM 432 CA ARG A 30 0.001 2.994 7.726 1.00 0.00 C ATOM 433 C ARG A 30 -0.609 1.926 8.634 1.00 0.00 C ATOM 434 O ARG A 30 0.029 0.922 8.958 1.00 0.00 O ATOM 435 CB ARG A 30 0.688 4.103 8.540 1.00 0.00 C ATOM 436 CG ARG A 30 1.964 3.677 9.262 1.00 0.00 C ATOM 437 CD ARG A 30 1.674 3.031 10.607 1.00 0.00 C ATOM 438 NE ARG A 30 0.988 3.947 11.514 1.00 0.00 N ATOM 439 CZ ARG A 30 0.453 3.583 12.676 1.00 0.00 C ATOM 440 NH1 ARG A 30 0.463 2.311 13.053 1.00 0.00 N ATOM 441 NH2 ARG A 30 -0.105 4.495 13.455 1.00 0.00 N ATOM 0 H ARG A 30 -1.161 4.585 7.016 1.00 0.00 H new ATOM 0 HA ARG A 30 0.755 2.510 7.105 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.926 4.930 7.871 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.019 4.483 9.277 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.517 2.977 8.636 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.604 4.547 9.409 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.062 2.141 10.458 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.609 2.703 11.061 1.00 0.00 H new ATOM 0 HE ARG A 30 0.915 4.927 11.239 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.883 1.604 12.450 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.051 2.040 13.946 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.124 5.472 13.164 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.517 4.221 14.347 1.00 0.00 H new ATOM 455 N SER A 31 -1.855 2.148 9.020 1.00 0.00 N ATOM 456 CA SER A 31 -2.599 1.191 9.823 1.00 0.00 C ATOM 457 C SER A 31 -3.037 0.012 8.952 1.00 0.00 C ATOM 458 O SER A 31 -2.893 -1.152 9.325 1.00 0.00 O ATOM 459 CB SER A 31 -3.834 1.880 10.417 1.00 0.00 C ATOM 460 OG SER A 31 -4.383 1.132 11.488 1.00 0.00 O ATOM 0 H SER A 31 -2.377 2.993 8.787 1.00 0.00 H new ATOM 0 HA SER A 31 -1.963 0.822 10.628 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.562 2.875 10.769 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.587 2.011 9.640 1.00 0.00 H new ATOM 0 HG SER A 31 -5.167 1.599 11.845 1.00 0.00 H new ATOM 466 N LEU A 32 -3.541 0.345 7.775 1.00 0.00 N ATOM 467 CA LEU A 32 -4.140 -0.616 6.867 1.00 0.00 C ATOM 468 C LEU A 32 -3.109 -1.572 6.281 1.00 0.00 C ATOM 469 O LEU A 32 -3.255 -2.788 6.368 1.00 0.00 O ATOM 470 CB LEU A 32 -4.833 0.149 5.746 1.00 0.00 C ATOM 471 CG LEU A 32 -5.843 -0.646 4.934 1.00 0.00 C ATOM 472 CD1 LEU A 32 -5.199 -1.309 3.729 1.00 0.00 C ATOM 473 CD2 LEU A 32 -6.531 -1.679 5.816 1.00 0.00 C ATOM 0 H LEU A 32 -3.545 1.301 7.420 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.855 -1.221 7.425 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.340 1.012 6.179 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.071 0.534 5.068 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.592 0.051 4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.953 -1.867 3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.764 -0.546 3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.416 -1.990 4.063 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.252 -2.242 5.223 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.786 -2.362 6.225 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.048 -1.174 6.632 1.00 0.00 H new ATOM 485 N PHE A 33 -2.086 -1.001 5.672 1.00 0.00 N ATOM 486 CA PHE A 33 -1.029 -1.777 5.019 1.00 0.00 C ATOM 487 C PHE A 33 -0.431 -2.794 5.977 1.00 0.00 C ATOM 488 O PHE A 33 -0.120 -3.919 5.591 1.00 0.00 O ATOM 489 CB PHE A 33 0.075 -0.855 4.488 1.00 0.00 C ATOM 490 CG PHE A 33 -0.376 0.116 3.429 1.00 0.00 C ATOM 491 CD1 PHE A 33 -1.552 -0.113 2.729 1.00 0.00 C ATOM 492 CD2 PHE A 33 0.359 1.262 3.135 1.00 0.00 C ATOM 493 CE1 PHE A 33 -1.984 0.771 1.763 1.00 0.00 C ATOM 494 CE2 PHE A 33 -0.074 2.147 2.169 1.00 0.00 C ATOM 495 CZ PHE A 33 -1.168 1.914 1.461 1.00 0.00 C ATOM 0 H PHE A 33 -1.958 0.009 5.612 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.479 -2.308 4.180 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.494 -0.293 5.323 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.879 -1.469 4.081 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.137 -0.995 2.944 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.277 1.460 3.668 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.917 0.607 1.244 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.492 3.049 1.987 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.446 2.581 0.659 1.00 0.00 H new ATOM 505 N SER A 34 -0.298 -2.394 7.228 1.00 0.00 N ATOM 506 CA SER A 34 0.226 -3.264 8.261 1.00 0.00 C ATOM 507 C SER A 34 -0.677 -4.483 8.444 1.00 0.00 C ATOM 508 O SER A 34 -0.194 -5.613 8.554 1.00 0.00 O ATOM 509 CB SER A 34 0.359 -2.477 9.557 1.00 0.00 C ATOM 510 OG SER A 34 0.845 -3.286 10.612 1.00 0.00 O ATOM 0 H SER A 34 -0.549 -1.461 7.554 1.00 0.00 H new ATOM 0 HA SER A 34 1.211 -3.628 7.967 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.033 -1.635 9.404 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.611 -2.063 9.833 1.00 0.00 H new ATOM 0 HG SER A 34 0.920 -2.749 11.428 1.00 0.00 H new ATOM 516 N ARG A 35 -1.989 -4.252 8.432 1.00 0.00 N ATOM 517 CA ARG A 35 -2.962 -5.338 8.508 1.00 0.00 C ATOM 518 C ARG A 35 -2.846 -6.232 7.286 1.00 0.00 C ATOM 519 O ARG A 35 -2.997 -7.447 7.371 1.00 0.00 O ATOM 520 CB ARG A 35 -4.389 -4.796 8.584 1.00 0.00 C ATOM 521 CG ARG A 35 -4.749 -4.205 9.924 1.00 0.00 C ATOM 522 CD ARG A 35 -6.129 -3.559 9.912 1.00 0.00 C ATOM 523 NE ARG A 35 -7.183 -4.462 9.430 1.00 0.00 N ATOM 524 CZ ARG A 35 -7.811 -5.360 10.197 1.00 0.00 C ATOM 525 NH1 ARG A 35 -7.449 -5.537 11.464 1.00 0.00 N ATOM 526 NH2 ARG A 35 -8.803 -6.082 9.694 1.00 0.00 N ATOM 0 H ARG A 35 -2.402 -3.321 8.370 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.748 -5.909 9.412 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -4.519 -4.034 7.815 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.086 -5.602 8.355 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.721 -4.986 10.684 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -4.003 -3.461 10.204 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.377 -3.226 10.920 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.103 -2.671 9.281 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.453 -4.400 8.448 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.687 -4.986 11.858 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.934 -6.224 12.042 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.087 -5.952 8.723 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -9.282 -6.767 10.278 1.00 0.00 H new ATOM 540 N ALA A 36 -2.554 -5.606 6.157 1.00 0.00 N ATOM 541 CA ALA A 36 -2.510 -6.285 4.874 1.00 0.00 C ATOM 542 C ALA A 36 -1.258 -7.154 4.726 1.00 0.00 C ATOM 543 O ALA A 36 -1.097 -7.860 3.731 1.00 0.00 O ATOM 544 CB ALA A 36 -2.574 -5.255 3.756 1.00 0.00 C ATOM 0 H ALA A 36 -2.340 -4.610 6.106 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.371 -6.951 4.814 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.541 -5.762 2.792 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.501 -4.688 3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.725 -4.576 3.838 1.00 0.00 H new ATOM 550 N GLY A 37 -0.365 -7.088 5.706 1.00 0.00 N ATOM 551 CA GLY A 37 0.857 -7.874 5.651 1.00 0.00 C ATOM 552 C GLY A 37 1.971 -7.119 4.968 1.00 0.00 C ATOM 553 O GLY A 37 3.102 -7.604 4.860 1.00 0.00 O ATOM 0 H GLY A 37 -0.463 -6.506 6.538 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.164 -8.142 6.662 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.668 -8.806 5.118 1.00 0.00 H new ATOM 557 N ILE A 38 1.638 -5.936 4.482 1.00 0.00 N ATOM 558 CA ILE A 38 2.602 -5.054 3.870 1.00 0.00 C ATOM 559 C ILE A 38 3.509 -4.454 4.929 1.00 0.00 C ATOM 560 O ILE A 38 3.081 -3.627 5.735 1.00 0.00 O ATOM 561 CB ILE A 38 1.894 -3.920 3.115 1.00 0.00 C ATOM 562 CG1 ILE A 38 0.804 -4.492 2.205 1.00 0.00 C ATOM 563 CG2 ILE A 38 2.904 -3.117 2.313 1.00 0.00 C ATOM 564 CD1 ILE A 38 -0.116 -3.443 1.636 1.00 0.00 C ATOM 0 H ILE A 38 0.688 -5.564 4.503 1.00 0.00 H new ATOM 0 HA ILE A 38 3.196 -5.638 3.166 1.00 0.00 H new ATOM 0 HB ILE A 38 1.421 -3.253 3.836 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.274 -5.035 1.385 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.214 -5.215 2.768 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.392 -2.315 1.781 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.646 -2.689 2.987 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.400 -3.770 1.595 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.863 -3.920 1.001 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.614 -2.916 2.450 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.463 -2.733 1.045 1.00 0.00 H new ATOM 576 N SER A 39 4.746 -4.898 4.948 1.00 0.00 N ATOM 577 CA SER A 39 5.719 -4.358 5.870 1.00 0.00 C ATOM 578 C SER A 39 6.511 -3.247 5.189 1.00 0.00 C ATOM 579 O SER A 39 6.258 -2.931 4.021 1.00 0.00 O ATOM 580 CB SER A 39 6.639 -5.465 6.378 1.00 0.00 C ATOM 581 OG SER A 39 7.459 -5.010 7.440 1.00 0.00 O ATOM 0 H SER A 39 5.102 -5.632 4.335 1.00 0.00 H new ATOM 0 HA SER A 39 5.204 -3.933 6.732 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.040 -6.311 6.715 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.265 -5.823 5.561 1.00 0.00 H new ATOM 0 HG SER A 39 8.035 -5.742 7.745 1.00 0.00 H new ATOM 587 N GLU A 40 7.463 -2.669 5.901 1.00 0.00 N ATOM 588 CA GLU A 40 8.228 -1.532 5.401 1.00 0.00 C ATOM 589 C GLU A 40 8.947 -1.869 4.093 1.00 0.00 C ATOM 590 O GLU A 40 8.997 -1.052 3.171 1.00 0.00 O ATOM 591 CB GLU A 40 9.216 -1.072 6.471 1.00 0.00 C ATOM 592 CG GLU A 40 8.531 -0.596 7.744 1.00 0.00 C ATOM 593 CD GLU A 40 9.499 -0.336 8.878 1.00 0.00 C ATOM 594 OE1 GLU A 40 10.306 0.608 8.774 1.00 0.00 O ATOM 595 OE2 GLU A 40 9.450 -1.072 9.889 1.00 0.00 O ATOM 0 H GLU A 40 7.729 -2.970 6.838 1.00 0.00 H new ATOM 0 HA GLU A 40 7.537 -0.718 5.181 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.891 -1.893 6.713 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.828 -0.264 6.070 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.976 0.318 7.531 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.804 -1.344 8.060 1.00 0.00 H new ATOM 602 N ALA A 41 9.476 -3.084 4.003 1.00 0.00 N ATOM 603 CA ALA A 41 10.146 -3.539 2.789 1.00 0.00 C ATOM 604 C ALA A 41 9.198 -3.527 1.589 1.00 0.00 C ATOM 605 O ALA A 41 9.565 -3.088 0.503 1.00 0.00 O ATOM 606 CB ALA A 41 10.723 -4.931 2.993 1.00 0.00 C ATOM 0 H ALA A 41 9.454 -3.772 4.756 1.00 0.00 H new ATOM 0 HA ALA A 41 10.960 -2.846 2.578 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.219 -5.257 2.079 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.444 -4.910 3.810 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.919 -5.626 3.237 1.00 0.00 H new ATOM 612 N GLN A 42 7.973 -3.998 1.793 1.00 0.00 N ATOM 613 CA GLN A 42 6.980 -4.040 0.723 1.00 0.00 C ATOM 614 C GLN A 42 6.575 -2.637 0.293 1.00 0.00 C ATOM 615 O GLN A 42 6.309 -2.397 -0.879 1.00 0.00 O ATOM 616 CB GLN A 42 5.737 -4.820 1.149 1.00 0.00 C ATOM 617 CG GLN A 42 5.917 -6.327 1.140 1.00 0.00 C ATOM 618 CD GLN A 42 4.633 -7.067 1.462 1.00 0.00 C ATOM 619 OE1 GLN A 42 4.654 -8.156 2.035 1.00 0.00 O ATOM 620 NE2 GLN A 42 3.503 -6.487 1.089 1.00 0.00 N ATOM 0 H GLN A 42 7.643 -4.356 2.689 1.00 0.00 H new ATOM 0 HA GLN A 42 7.443 -4.550 -0.122 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.450 -4.505 2.152 1.00 0.00 H new ATOM 0 HB3 GLN A 42 4.913 -4.559 0.485 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.278 -6.641 0.160 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.683 -6.603 1.865 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.525 -5.584 0.616 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.610 -6.944 1.275 1.00 0.00 H new ATOM 629 N LEU A 43 6.535 -1.713 1.243 1.00 0.00 N ATOM 630 CA LEU A 43 6.171 -0.336 0.941 1.00 0.00 C ATOM 631 C LEU A 43 7.322 0.402 0.279 1.00 0.00 C ATOM 632 O LEU A 43 7.162 1.524 -0.190 1.00 0.00 O ATOM 633 CB LEU A 43 5.720 0.401 2.202 1.00 0.00 C ATOM 634 CG LEU A 43 4.334 0.009 2.708 1.00 0.00 C ATOM 635 CD1 LEU A 43 3.995 0.761 3.980 1.00 0.00 C ATOM 636 CD2 LEU A 43 3.293 0.288 1.637 1.00 0.00 C ATOM 0 H LEU A 43 6.749 -1.891 2.224 1.00 0.00 H new ATOM 0 HA LEU A 43 5.335 -0.362 0.242 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.446 0.217 2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.730 1.473 2.003 1.00 0.00 H new ATOM 0 HG LEU A 43 4.335 -1.058 2.933 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.003 0.467 4.323 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.730 0.525 4.749 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.007 1.833 3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.307 0.006 2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.298 1.350 1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.526 -0.291 0.744 1.00 0.00 H new ATOM 648 N THR A 44 8.481 -0.232 0.233 1.00 0.00 N ATOM 649 CA THR A 44 9.624 0.340 -0.451 1.00 0.00 C ATOM 650 C THR A 44 10.026 -0.556 -1.616 1.00 0.00 C ATOM 651 O THR A 44 11.120 -0.441 -2.169 1.00 0.00 O ATOM 652 CB THR A 44 10.808 0.551 0.514 1.00 0.00 C ATOM 653 OG1 THR A 44 10.980 -0.604 1.344 1.00 0.00 O ATOM 654 CG2 THR A 44 10.585 1.778 1.389 1.00 0.00 C ATOM 0 H THR A 44 8.654 -1.142 0.661 1.00 0.00 H new ATOM 0 HA THR A 44 9.342 1.320 -0.837 1.00 0.00 H new ATOM 0 HB THR A 44 11.706 0.707 -0.083 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.249 -0.651 1.995 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.434 1.905 2.061 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.486 2.661 0.758 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.675 1.647 1.975 1.00 0.00 H new ATOM 662 N ASP A 45 9.115 -1.455 -1.978 1.00 0.00 N ATOM 663 CA ASP A 45 9.324 -2.369 -3.093 1.00 0.00 C ATOM 664 C ASP A 45 8.797 -1.758 -4.387 1.00 0.00 C ATOM 665 O ASP A 45 7.933 -0.882 -4.352 1.00 0.00 O ATOM 666 CB ASP A 45 8.625 -3.706 -2.834 1.00 0.00 C ATOM 667 CG ASP A 45 8.847 -4.697 -3.956 1.00 0.00 C ATOM 668 OD1 ASP A 45 9.950 -5.268 -4.036 1.00 0.00 O ATOM 669 OD2 ASP A 45 7.920 -4.896 -4.770 1.00 0.00 O ATOM 0 H ASP A 45 8.217 -1.569 -1.509 1.00 0.00 H new ATOM 0 HA ASP A 45 10.395 -2.544 -3.190 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.992 -4.130 -1.900 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.556 -3.536 -2.709 1.00 0.00 H new ATOM 674 N ALA A 46 9.311 -2.217 -5.518 1.00 0.00 N ATOM 675 CA ALA A 46 8.912 -1.676 -6.806 1.00 0.00 C ATOM 676 C ALA A 46 7.488 -2.088 -7.169 1.00 0.00 C ATOM 677 O ALA A 46 6.578 -1.253 -7.183 1.00 0.00 O ATOM 678 CB ALA A 46 9.886 -2.115 -7.886 1.00 0.00 C ATOM 0 H ALA A 46 10.005 -2.963 -5.569 1.00 0.00 H new ATOM 0 HA ALA A 46 8.932 -0.589 -6.733 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.575 -1.703 -8.846 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.886 -1.755 -7.643 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.897 -3.203 -7.945 1.00 0.00 H new ATOM 684 N GLU A 47 7.288 -3.376 -7.429 1.00 0.00 N ATOM 685 CA GLU A 47 6.009 -3.846 -7.940 1.00 0.00 C ATOM 686 C GLU A 47 4.960 -3.876 -6.838 1.00 0.00 C ATOM 687 O GLU A 47 3.788 -3.588 -7.087 1.00 0.00 O ATOM 688 CB GLU A 47 6.142 -5.227 -8.599 1.00 0.00 C ATOM 689 CG GLU A 47 6.091 -6.410 -7.641 1.00 0.00 C ATOM 690 CD GLU A 47 6.364 -7.721 -8.340 1.00 0.00 C ATOM 691 OE1 GLU A 47 7.548 -8.016 -8.605 1.00 0.00 O ATOM 692 OE2 GLU A 47 5.403 -8.459 -8.638 1.00 0.00 O ATOM 0 H GLU A 47 7.989 -4.105 -7.295 1.00 0.00 H new ATOM 0 HA GLU A 47 5.682 -3.141 -8.705 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.344 -5.340 -9.333 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.085 -5.262 -9.145 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.823 -6.264 -6.847 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.110 -6.450 -7.167 1.00 0.00 H new ATOM 699 N THR A 48 5.380 -4.216 -5.622 1.00 0.00 N ATOM 700 CA THR A 48 4.468 -4.256 -4.492 1.00 0.00 C ATOM 701 C THR A 48 3.772 -2.916 -4.296 1.00 0.00 C ATOM 702 O THR A 48 2.549 -2.835 -4.379 1.00 0.00 O ATOM 703 CB THR A 48 5.193 -4.640 -3.192 1.00 0.00 C ATOM 704 OG1 THR A 48 5.932 -5.849 -3.390 1.00 0.00 O ATOM 705 CG2 THR A 48 4.191 -4.825 -2.062 1.00 0.00 C ATOM 0 H THR A 48 6.343 -4.466 -5.399 1.00 0.00 H new ATOM 0 HA THR A 48 3.723 -5.019 -4.720 1.00 0.00 H new ATOM 0 HB THR A 48 5.880 -3.838 -2.922 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.627 -5.701 -4.064 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.719 -5.097 -1.148 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.646 -3.895 -1.903 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.489 -5.617 -2.324 1.00 0.00 H new ATOM 713 N SER A 49 4.554 -1.869 -4.061 1.00 0.00 N ATOM 714 CA SER A 49 4.009 -0.543 -3.792 1.00 0.00 C ATOM 715 C SER A 49 3.127 -0.068 -4.942 1.00 0.00 C ATOM 716 O SER A 49 2.059 0.507 -4.722 1.00 0.00 O ATOM 717 CB SER A 49 5.142 0.450 -3.568 1.00 0.00 C ATOM 718 OG SER A 49 6.067 -0.038 -2.615 1.00 0.00 O ATOM 0 H SER A 49 5.573 -1.913 -4.051 1.00 0.00 H new ATOM 0 HA SER A 49 3.396 -0.605 -2.893 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.654 0.641 -4.511 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.734 1.402 -3.228 1.00 0.00 H new ATOM 0 HG SER A 49 6.820 -0.461 -3.077 1.00 0.00 H new ATOM 724 N LYS A 50 3.575 -0.324 -6.167 1.00 0.00 N ATOM 725 CA LYS A 50 2.842 0.096 -7.354 1.00 0.00 C ATOM 726 C LYS A 50 1.461 -0.546 -7.388 1.00 0.00 C ATOM 727 O LYS A 50 0.466 0.104 -7.710 1.00 0.00 O ATOM 728 CB LYS A 50 3.628 -0.271 -8.614 1.00 0.00 C ATOM 729 CG LYS A 50 2.985 0.213 -9.902 1.00 0.00 C ATOM 730 CD LYS A 50 3.846 -0.111 -11.110 1.00 0.00 C ATOM 731 CE LYS A 50 3.214 0.385 -12.398 1.00 0.00 C ATOM 732 NZ LYS A 50 3.082 1.862 -12.428 1.00 0.00 N ATOM 0 H LYS A 50 4.444 -0.821 -6.363 1.00 0.00 H new ATOM 0 HA LYS A 50 2.716 1.178 -7.318 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.631 0.149 -8.540 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.738 -1.354 -8.659 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.005 -0.251 -10.017 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.824 1.290 -9.847 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.829 0.343 -10.989 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.998 -1.189 -11.170 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.817 0.059 -13.245 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.230 -0.068 -12.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.839 2.169 -13.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.332 2.157 -11.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.983 2.297 -12.142 1.00 0.00 H new ATOM 746 N LEU A 51 1.407 -1.813 -7.018 1.00 0.00 N ATOM 747 CA LEU A 51 0.165 -2.559 -7.046 1.00 0.00 C ATOM 748 C LEU A 51 -0.656 -2.340 -5.779 1.00 0.00 C ATOM 749 O LEU A 51 -1.861 -2.589 -5.771 1.00 0.00 O ATOM 750 CB LEU A 51 0.455 -4.035 -7.288 1.00 0.00 C ATOM 751 CG LEU A 51 0.912 -4.336 -8.718 1.00 0.00 C ATOM 752 CD1 LEU A 51 1.525 -5.714 -8.816 1.00 0.00 C ATOM 753 CD2 LEU A 51 -0.264 -4.213 -9.672 1.00 0.00 C ATOM 0 H LEU A 51 2.213 -2.347 -6.694 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.443 -2.188 -7.871 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.225 -4.366 -6.591 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.442 -4.615 -7.071 1.00 0.00 H new ATOM 0 HG LEU A 51 1.676 -3.609 -8.994 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.840 -5.900 -9.843 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.389 -5.776 -8.154 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.788 -6.462 -8.522 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.067 -4.428 -10.688 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.041 -4.922 -9.386 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.664 -3.200 -9.628 1.00 0.00 H new ATOM 765 N ILE A 52 -0.012 -1.887 -4.706 1.00 0.00 N ATOM 766 CA ILE A 52 -0.743 -1.387 -3.554 1.00 0.00 C ATOM 767 C ILE A 52 -1.502 -0.125 -3.933 1.00 0.00 C ATOM 768 O ILE A 52 -2.683 0.020 -3.627 1.00 0.00 O ATOM 769 CB ILE A 52 0.179 -1.063 -2.367 1.00 0.00 C ATOM 770 CG1 ILE A 52 0.906 -2.317 -1.893 1.00 0.00 C ATOM 771 CG2 ILE A 52 -0.627 -0.452 -1.230 1.00 0.00 C ATOM 772 CD1 ILE A 52 1.807 -2.067 -0.710 1.00 0.00 C ATOM 0 H ILE A 52 1.003 -1.857 -4.614 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.428 -2.178 -3.248 1.00 0.00 H new ATOM 0 HB ILE A 52 0.926 -0.340 -2.694 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.171 -3.077 -1.628 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.499 -2.719 -2.715 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.036 -0.226 -0.394 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.103 0.466 -1.574 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.392 -1.158 -0.906 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.295 -2.998 -0.421 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.563 -1.329 -0.978 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.215 -1.693 0.126 1.00 0.00 H new ATOM 784 N TYR A 53 -0.820 0.792 -4.607 1.00 0.00 N ATOM 785 CA TYR A 53 -1.463 2.005 -5.078 1.00 0.00 C ATOM 786 C TYR A 53 -2.539 1.652 -6.094 1.00 0.00 C ATOM 787 O TYR A 53 -3.621 2.238 -6.101 1.00 0.00 O ATOM 788 CB TYR A 53 -0.444 2.967 -5.690 1.00 0.00 C ATOM 789 CG TYR A 53 -1.076 4.242 -6.198 1.00 0.00 C ATOM 790 CD1 TYR A 53 -1.512 5.222 -5.317 1.00 0.00 C ATOM 791 CD2 TYR A 53 -1.214 4.471 -7.559 1.00 0.00 C ATOM 792 CE1 TYR A 53 -2.072 6.397 -5.780 1.00 0.00 C ATOM 793 CE2 TYR A 53 -1.767 5.644 -8.030 1.00 0.00 C ATOM 794 CZ TYR A 53 -2.281 6.566 -7.123 1.00 0.00 C ATOM 795 OH TYR A 53 -2.738 7.777 -7.604 1.00 0.00 O ATOM 0 H TYR A 53 0.171 0.717 -4.837 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.923 2.507 -4.227 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.311 3.213 -4.943 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.071 2.469 -6.512 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.412 5.064 -4.253 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.884 3.720 -8.261 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.344 7.179 -5.086 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.801 5.844 -9.091 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.604 7.648 -8.043 1.00 0.00 H new ATOM 805 N ASP A 54 -2.230 0.680 -6.943 1.00 0.00 N ATOM 806 CA ASP A 54 -3.197 0.132 -7.888 1.00 0.00 C ATOM 807 C ASP A 54 -4.444 -0.344 -7.148 1.00 0.00 C ATOM 808 O ASP A 54 -5.569 -0.130 -7.594 1.00 0.00 O ATOM 809 CB ASP A 54 -2.562 -1.030 -8.657 1.00 0.00 C ATOM 810 CG ASP A 54 -3.486 -1.628 -9.694 1.00 0.00 C ATOM 811 OD1 ASP A 54 -3.555 -1.091 -10.822 1.00 0.00 O ATOM 812 OD2 ASP A 54 -4.153 -2.633 -9.383 1.00 0.00 O ATOM 0 H ASP A 54 -1.306 0.250 -6.997 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.488 0.910 -8.594 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.653 -0.681 -9.147 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.266 -1.806 -7.952 1.00 0.00 H new ATOM 817 N PHE A 55 -4.218 -0.971 -6.002 1.00 0.00 N ATOM 818 CA PHE A 55 -5.289 -1.425 -5.122 1.00 0.00 C ATOM 819 C PHE A 55 -6.131 -0.254 -4.631 1.00 0.00 C ATOM 820 O PHE A 55 -7.355 -0.281 -4.711 1.00 0.00 O ATOM 821 CB PHE A 55 -4.674 -2.161 -3.927 1.00 0.00 C ATOM 822 CG PHE A 55 -5.620 -2.440 -2.792 1.00 0.00 C ATOM 823 CD1 PHE A 55 -6.375 -3.596 -2.783 1.00 0.00 C ATOM 824 CD2 PHE A 55 -5.733 -1.558 -1.718 1.00 0.00 C ATOM 825 CE1 PHE A 55 -7.223 -3.878 -1.734 1.00 0.00 C ATOM 826 CE2 PHE A 55 -6.587 -1.837 -0.669 1.00 0.00 C ATOM 827 CZ PHE A 55 -7.330 -3.001 -0.678 1.00 0.00 C ATOM 0 H PHE A 55 -3.283 -1.181 -5.654 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.942 -2.096 -5.680 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.262 -3.108 -4.277 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.840 -1.571 -3.547 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.300 -4.288 -3.609 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.148 -0.650 -1.706 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.804 -4.788 -1.740 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.674 -1.146 0.157 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.995 -3.223 0.143 1.00 0.00 H new ATOM 837 N ILE A 56 -5.461 0.764 -4.114 1.00 0.00 N ATOM 838 CA ILE A 56 -6.136 1.919 -3.539 1.00 0.00 C ATOM 839 C ILE A 56 -6.918 2.675 -4.609 1.00 0.00 C ATOM 840 O ILE A 56 -8.055 3.097 -4.389 1.00 0.00 O ATOM 841 CB ILE A 56 -5.118 2.857 -2.858 1.00 0.00 C ATOM 842 CG1 ILE A 56 -4.263 2.057 -1.878 1.00 0.00 C ATOM 843 CG2 ILE A 56 -5.828 3.986 -2.132 1.00 0.00 C ATOM 844 CD1 ILE A 56 -3.181 2.870 -1.217 1.00 0.00 C ATOM 0 H ILE A 56 -4.443 0.814 -4.081 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.839 1.562 -2.786 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.478 3.295 -3.624 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.908 1.633 -1.109 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.806 1.221 -2.407 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.091 4.635 -1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.416 4.564 -2.845 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.487 3.571 -1.370 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.615 2.236 -0.535 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.512 3.273 -1.978 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.632 3.691 -0.659 1.00 0.00 H new ATOM 856 N GLU A 57 -6.303 2.815 -5.776 1.00 0.00 N ATOM 857 CA GLU A 57 -6.941 3.452 -6.920 1.00 0.00 C ATOM 858 C GLU A 57 -8.165 2.637 -7.352 1.00 0.00 C ATOM 859 O GLU A 57 -9.204 3.193 -7.710 1.00 0.00 O ATOM 860 CB GLU A 57 -5.930 3.556 -8.070 1.00 0.00 C ATOM 861 CG GLU A 57 -6.349 4.489 -9.196 1.00 0.00 C ATOM 862 CD GLU A 57 -6.401 5.940 -8.760 1.00 0.00 C ATOM 863 OE1 GLU A 57 -5.363 6.620 -8.845 1.00 0.00 O ATOM 864 OE2 GLU A 57 -7.481 6.402 -8.321 1.00 0.00 O ATOM 0 H GLU A 57 -5.352 2.492 -5.956 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.272 4.454 -6.647 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.976 3.897 -7.668 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.764 2.561 -8.482 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.650 4.388 -10.026 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.329 4.189 -9.566 1.00 0.00 H new ATOM 871 N ASP A 58 -8.026 1.313 -7.292 1.00 0.00 N ATOM 872 CA ASP A 58 -9.111 0.381 -7.618 1.00 0.00 C ATOM 873 C ASP A 58 -10.334 0.622 -6.741 1.00 0.00 C ATOM 874 O ASP A 58 -11.467 0.601 -7.222 1.00 0.00 O ATOM 875 CB ASP A 58 -8.629 -1.067 -7.447 1.00 0.00 C ATOM 876 CG ASP A 58 -9.750 -2.093 -7.531 1.00 0.00 C ATOM 877 OD1 ASP A 58 -10.420 -2.333 -6.507 1.00 0.00 O ATOM 878 OD2 ASP A 58 -9.991 -2.642 -8.627 1.00 0.00 O ATOM 0 H ASP A 58 -7.158 0.854 -7.016 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.398 0.552 -8.656 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.887 -1.288 -8.214 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.130 -1.164 -6.483 1.00 0.00 H new ATOM 883 N GLN A 59 -10.093 0.873 -5.458 1.00 0.00 N ATOM 884 CA GLN A 59 -11.173 1.039 -4.485 1.00 0.00 C ATOM 885 C GLN A 59 -11.942 2.332 -4.727 1.00 0.00 C ATOM 886 O GLN A 59 -13.046 2.515 -4.212 1.00 0.00 O ATOM 887 CB GLN A 59 -10.619 1.030 -3.056 1.00 0.00 C ATOM 888 CG GLN A 59 -9.667 -0.122 -2.777 1.00 0.00 C ATOM 889 CD GLN A 59 -10.285 -1.484 -3.032 1.00 0.00 C ATOM 890 OE1 GLN A 59 -11.476 -1.698 -2.816 1.00 0.00 O ATOM 891 NE2 GLN A 59 -9.478 -2.407 -3.525 1.00 0.00 N ATOM 0 H GLN A 59 -9.157 0.967 -5.065 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.858 0.200 -4.610 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -10.101 1.971 -2.871 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -11.451 0.981 -2.354 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.780 -0.010 -3.400 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -9.337 -0.069 -1.740 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.495 -2.190 -3.690 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -9.838 -3.337 -3.741 1.00 0.00 H new ATOM 900 N GLY A 60 -11.359 3.218 -5.523 1.00 0.00 N ATOM 901 CA GLY A 60 -11.977 4.500 -5.787 1.00 0.00 C ATOM 902 C GLY A 60 -11.104 5.652 -5.337 1.00 0.00 C ATOM 903 O GLY A 60 -11.412 6.816 -5.591 1.00 0.00 O ATOM 0 H GLY A 60 -10.465 3.070 -5.992 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.178 4.593 -6.854 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.938 4.552 -5.275 1.00 0.00 H new ATOM 907 N GLY A 61 -10.007 5.328 -4.664 1.00 0.00 N ATOM 908 CA GLY A 61 -9.073 6.346 -4.239 1.00 0.00 C ATOM 909 C GLY A 61 -8.735 6.249 -2.764 1.00 0.00 C ATOM 910 O GLY A 61 -8.981 5.224 -2.125 1.00 0.00 O ATOM 0 H GLY A 61 -9.749 4.375 -4.406 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.157 6.261 -4.824 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.494 7.330 -4.447 1.00 0.00 H new ATOM 914 N LEU A 62 -8.209 7.338 -2.220 1.00 0.00 N ATOM 915 CA LEU A 62 -7.668 7.348 -0.867 1.00 0.00 C ATOM 916 C LEU A 62 -8.785 7.330 0.165 1.00 0.00 C ATOM 917 O LEU A 62 -8.715 6.607 1.163 1.00 0.00 O ATOM 918 CB LEU A 62 -6.800 8.591 -0.667 1.00 0.00 C ATOM 919 CG LEU A 62 -5.788 8.860 -1.783 1.00 0.00 C ATOM 920 CD1 LEU A 62 -4.987 10.115 -1.479 1.00 0.00 C ATOM 921 CD2 LEU A 62 -4.867 7.666 -1.973 1.00 0.00 C ATOM 0 H LEU A 62 -8.145 8.235 -2.701 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.061 6.453 -0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.452 9.459 -0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.261 8.492 0.275 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.334 9.017 -2.713 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.271 10.293 -2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.662 10.967 -1.399 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.452 9.986 -0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.156 7.879 -2.771 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.326 7.473 -1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.458 6.789 -2.238 1.00 0.00 H new ATOM 933 N GLU A 63 -9.824 8.115 -0.089 1.00 0.00 N ATOM 934 CA GLU A 63 -10.944 8.237 0.837 1.00 0.00 C ATOM 935 C GLU A 63 -11.709 6.923 0.941 1.00 0.00 C ATOM 936 O GLU A 63 -12.341 6.642 1.958 1.00 0.00 O ATOM 937 CB GLU A 63 -11.880 9.361 0.390 1.00 0.00 C ATOM 938 CG GLU A 63 -11.215 10.723 0.355 1.00 0.00 C ATOM 939 CD GLU A 63 -12.133 11.811 -0.157 1.00 0.00 C ATOM 940 OE1 GLU A 63 -12.213 11.997 -1.390 1.00 0.00 O ATOM 941 OE2 GLU A 63 -12.788 12.481 0.670 1.00 0.00 O ATOM 0 H GLU A 63 -9.915 8.680 -0.933 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.547 8.479 1.823 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.266 9.128 -0.602 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.736 9.400 1.064 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.876 10.982 1.358 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.329 10.674 -0.278 1.00 0.00 H new ATOM 948 N ALA A 64 -11.623 6.109 -0.104 1.00 0.00 N ATOM 949 CA ALA A 64 -12.340 4.844 -0.156 1.00 0.00 C ATOM 950 C ALA A 64 -11.832 3.868 0.900 1.00 0.00 C ATOM 951 O ALA A 64 -12.622 3.236 1.596 1.00 0.00 O ATOM 952 CB ALA A 64 -12.224 4.237 -1.543 1.00 0.00 C ATOM 0 H ALA A 64 -11.060 6.306 -0.931 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.390 5.042 0.060 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.764 3.290 -1.572 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.651 4.921 -2.276 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.174 4.063 -1.777 1.00 0.00 H new ATOM 958 N VAL A 65 -10.513 3.775 1.032 1.00 0.00 N ATOM 959 CA VAL A 65 -9.896 2.850 1.981 1.00 0.00 C ATOM 960 C VAL A 65 -10.244 3.238 3.414 1.00 0.00 C ATOM 961 O VAL A 65 -10.456 2.379 4.273 1.00 0.00 O ATOM 962 CB VAL A 65 -8.362 2.816 1.798 1.00 0.00 C ATOM 963 CG1 VAL A 65 -7.700 1.928 2.841 1.00 0.00 C ATOM 964 CG2 VAL A 65 -8.009 2.344 0.396 1.00 0.00 C ATOM 0 H VAL A 65 -9.848 4.330 0.493 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.290 1.853 1.783 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.984 3.829 1.935 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.621 1.925 2.685 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.922 2.310 3.838 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.082 0.911 2.749 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.925 2.325 0.281 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.409 1.342 0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.440 3.026 -0.337 1.00 0.00 H new ATOM 974 N ARG A 66 -10.333 4.541 3.653 1.00 0.00 N ATOM 975 CA ARG A 66 -10.724 5.058 4.958 1.00 0.00 C ATOM 976 C ARG A 66 -12.146 4.628 5.306 1.00 0.00 C ATOM 977 O ARG A 66 -12.485 4.444 6.476 1.00 0.00 O ATOM 978 CB ARG A 66 -10.620 6.585 4.982 1.00 0.00 C ATOM 979 CG ARG A 66 -9.190 7.100 5.008 1.00 0.00 C ATOM 980 CD ARG A 66 -9.147 8.617 5.098 1.00 0.00 C ATOM 981 NE ARG A 66 -7.796 9.119 5.353 1.00 0.00 N ATOM 982 CZ ARG A 66 -7.514 10.392 5.636 1.00 0.00 C ATOM 983 NH1 ARG A 66 -8.479 11.303 5.665 1.00 0.00 N ATOM 984 NH2 ARG A 66 -6.261 10.756 5.881 1.00 0.00 N ATOM 0 H ARG A 66 -10.139 5.261 2.957 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.043 4.646 5.703 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -11.126 6.989 4.105 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.149 6.963 5.857 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.662 6.669 5.858 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.668 6.773 4.109 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.522 9.045 4.168 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.813 8.951 5.894 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.023 8.455 5.312 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.443 11.031 5.470 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.257 12.275 5.882 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.514 10.062 5.853 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.046 11.729 6.097 1.00 0.00 H new ATOM 998 N GLN A 67 -12.968 4.451 4.279 1.00 0.00 N ATOM 999 CA GLN A 67 -14.346 4.025 4.465 1.00 0.00 C ATOM 1000 C GLN A 67 -14.403 2.545 4.817 1.00 0.00 C ATOM 1001 O GLN A 67 -15.166 2.144 5.688 1.00 0.00 O ATOM 1002 CB GLN A 67 -15.167 4.277 3.205 1.00 0.00 C ATOM 1003 CG GLN A 67 -15.234 5.733 2.783 1.00 0.00 C ATOM 1004 CD GLN A 67 -15.945 5.913 1.456 1.00 0.00 C ATOM 1005 OE1 GLN A 67 -16.581 6.937 1.210 1.00 0.00 O ATOM 1006 NE2 GLN A 67 -15.836 4.921 0.585 1.00 0.00 N ATOM 0 H GLN A 67 -12.701 4.597 3.305 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.767 4.608 5.284 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -14.744 3.693 2.387 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.181 3.911 3.367 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -15.751 6.309 3.551 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -14.223 6.135 2.709 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -15.300 4.087 0.826 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -16.288 4.991 -0.327 1.00 0.00 H new ATOM 1015 N GLU A 68 -13.582 1.749 4.140 1.00 0.00 N ATOM 1016 CA GLU A 68 -13.568 0.300 4.333 1.00 0.00 C ATOM 1017 C GLU A 68 -13.236 -0.061 5.779 1.00 0.00 C ATOM 1018 O GLU A 68 -13.700 -1.076 6.296 1.00 0.00 O ATOM 1019 CB GLU A 68 -12.546 -0.353 3.403 1.00 0.00 C ATOM 1020 CG GLU A 68 -12.630 0.113 1.963 1.00 0.00 C ATOM 1021 CD GLU A 68 -13.989 -0.108 1.328 1.00 0.00 C ATOM 1022 OE1 GLU A 68 -14.889 0.724 1.559 1.00 0.00 O ATOM 1023 OE2 GLU A 68 -14.165 -1.127 0.621 1.00 0.00 O ATOM 0 H GLU A 68 -12.912 2.084 3.448 1.00 0.00 H new ATOM 0 HA GLU A 68 -14.565 -0.073 4.098 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.544 -0.149 3.781 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.683 -1.434 3.432 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.387 1.175 1.919 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.875 -0.411 1.376 1.00 0.00 H new ATOM 1030 N MET A 69 -12.439 0.784 6.432 1.00 0.00 N ATOM 1031 CA MET A 69 -12.071 0.562 7.831 1.00 0.00 C ATOM 1032 C MET A 69 -13.298 0.560 8.735 1.00 0.00 C ATOM 1033 O MET A 69 -13.296 -0.060 9.798 1.00 0.00 O ATOM 1034 CB MET A 69 -11.078 1.612 8.311 1.00 0.00 C ATOM 1035 CG MET A 69 -9.653 1.286 7.924 1.00 0.00 C ATOM 1036 SD MET A 69 -8.442 2.305 8.772 1.00 0.00 S ATOM 1037 CE MET A 69 -6.962 1.400 8.358 1.00 0.00 C ATOM 0 H MET A 69 -12.037 1.625 6.018 1.00 0.00 H new ATOM 0 HA MET A 69 -11.599 -0.419 7.887 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.351 2.582 7.894 1.00 0.00 H new ATOM 0 HB3 MET A 69 -11.145 1.701 9.395 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.454 0.237 8.144 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.537 1.414 6.848 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.194 2.094 8.016 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.603 0.867 9.238 1.00 0.00 H new ATOM 0 HE3 MET A 69 -7.183 0.685 7.566 1.00 0.00 H new ATOM 1047 N ARG A 70 -14.337 1.264 8.315 1.00 0.00 N ATOM 1048 CA ARG A 70 -15.591 1.277 9.040 1.00 0.00 C ATOM 1049 C ARG A 70 -16.704 0.715 8.163 1.00 0.00 C ATOM 1050 O ARG A 70 -17.886 0.978 8.381 1.00 0.00 O ATOM 1051 CB ARG A 70 -15.920 2.697 9.497 1.00 0.00 C ATOM 1052 CG ARG A 70 -16.025 3.707 8.367 1.00 0.00 C ATOM 1053 CD ARG A 70 -16.432 5.073 8.887 1.00 0.00 C ATOM 1054 NE ARG A 70 -17.747 5.041 9.524 1.00 0.00 N ATOM 1055 CZ ARG A 70 -18.047 5.679 10.652 1.00 0.00 C ATOM 1056 NH1 ARG A 70 -17.118 6.378 11.295 1.00 0.00 N ATOM 1057 NH2 ARG A 70 -19.279 5.620 11.140 1.00 0.00 N ATOM 0 H ARG A 70 -14.333 1.836 7.470 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.500 0.648 9.925 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -16.863 2.681 10.044 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -15.152 3.029 10.196 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -15.067 3.782 7.852 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -16.754 3.362 7.634 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -15.690 5.425 9.603 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -16.444 5.787 8.063 1.00 0.00 H new ATOM 0 HE ARG A 70 -18.482 4.494 9.075 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -16.169 6.427 10.924 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -17.354 6.865 12.160 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -19.996 5.085 10.650 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -19.509 6.109 12.005 1.00 0.00 H new ATOM 1203 N VAL B 79 -10.105 -3.891 3.552 1.00 0.00 N ATOM 1204 CA VAL B 79 -8.992 -3.551 2.662 1.00 0.00 C ATOM 1205 C VAL B 79 -7.727 -4.359 2.968 1.00 0.00 C ATOM 1206 O VAL B 79 -7.002 -4.740 2.052 1.00 0.00 O ATOM 1207 CB VAL B 79 -8.644 -2.052 2.733 1.00 0.00 C ATOM 1208 CG1 VAL B 79 -9.118 -1.308 1.502 1.00 0.00 C ATOM 1209 CG2 VAL B 79 -9.235 -1.408 3.969 1.00 0.00 C ATOM 0 HA VAL B 79 -9.335 -3.802 1.658 1.00 0.00 H new ATOM 0 HB VAL B 79 -7.557 -1.986 2.783 1.00 0.00 H new ATOM 0 HG11 VAL B 79 -8.854 -0.254 1.590 1.00 0.00 H new ATOM 0 HG12 VAL B 79 -8.642 -1.729 0.617 1.00 0.00 H new ATOM 0 HG13 VAL B 79 -10.200 -1.405 1.413 1.00 0.00 H new ATOM 0 HG21 VAL B 79 -8.971 -0.351 3.990 1.00 0.00 H new ATOM 0 HG22 VAL B 79 -10.320 -1.511 3.950 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -8.840 -1.898 4.859 1.00 0.00 H new ATOM 1219 N ALA B 80 -7.477 -4.624 4.249 1.00 0.00 N ATOM 1220 CA ALA B 80 -6.288 -5.363 4.680 1.00 0.00 C ATOM 1221 C ALA B 80 -6.109 -6.657 3.899 1.00 0.00 C ATOM 1222 O ALA B 80 -5.151 -6.829 3.147 1.00 0.00 O ATOM 1223 CB ALA B 80 -6.388 -5.690 6.156 1.00 0.00 C ATOM 0 H ALA B 80 -8.087 -4.336 5.014 1.00 0.00 H new ATOM 0 HA ALA B 80 -5.425 -4.725 4.491 1.00 0.00 H new ATOM 0 HB1 ALA B 80 -5.500 -6.239 6.468 1.00 0.00 H new ATOM 0 HB2 ALA B 80 -6.463 -4.766 6.729 1.00 0.00 H new ATOM 0 HB3 ALA B 80 -7.273 -6.300 6.334 1.00 0.00 H new ATOM 1229 N GLN B 81 -7.049 -7.562 4.076 1.00 0.00 N ATOM 1230 CA GLN B 81 -6.972 -8.871 3.456 1.00 0.00 C ATOM 1231 C GLN B 81 -7.227 -8.766 1.954 1.00 0.00 C ATOM 1232 O GLN B 81 -6.756 -9.591 1.171 1.00 0.00 O ATOM 1233 CB GLN B 81 -7.964 -9.833 4.117 1.00 0.00 C ATOM 1234 CG GLN B 81 -7.646 -10.164 5.574 1.00 0.00 C ATOM 1235 CD GLN B 81 -7.897 -9.006 6.525 1.00 0.00 C ATOM 1236 OE1 GLN B 81 -7.217 -8.859 7.539 1.00 0.00 O ATOM 1237 NE2 GLN B 81 -8.884 -8.181 6.203 1.00 0.00 N ATOM 0 H GLN B 81 -7.881 -7.415 4.648 1.00 0.00 H new ATOM 0 HA GLN B 81 -5.967 -9.268 3.600 1.00 0.00 H new ATOM 0 HB2 GLN B 81 -8.962 -9.398 4.065 1.00 0.00 H new ATOM 0 HB3 GLN B 81 -7.990 -10.760 3.544 1.00 0.00 H new ATOM 0 HG2 GLN B 81 -8.249 -11.017 5.885 1.00 0.00 H new ATOM 0 HG3 GLN B 81 -6.602 -10.467 5.650 1.00 0.00 H new ATOM 0 HE21 GLN B 81 -9.424 -8.339 5.352 1.00 0.00 H new ATOM 0 HE22 GLN B 81 -9.103 -7.388 6.806 1.00 0.00 H new ATOM 1246 N ARG B 82 -7.953 -7.724 1.561 1.00 0.00 N ATOM 1247 CA ARG B 82 -8.221 -7.458 0.153 1.00 0.00 C ATOM 1248 C ARG B 82 -6.919 -7.104 -0.569 1.00 0.00 C ATOM 1249 O ARG B 82 -6.735 -7.410 -1.748 1.00 0.00 O ATOM 1250 CB ARG B 82 -9.242 -6.322 0.025 1.00 0.00 C ATOM 1251 CG ARG B 82 -9.720 -6.069 -1.394 1.00 0.00 C ATOM 1252 CD ARG B 82 -10.775 -4.973 -1.439 1.00 0.00 C ATOM 1253 NE ARG B 82 -11.933 -5.309 -0.618 1.00 0.00 N ATOM 1254 CZ ARG B 82 -12.724 -4.409 -0.031 1.00 0.00 C ATOM 1255 NH1 ARG B 82 -12.559 -3.111 -0.264 1.00 0.00 N ATOM 1256 NH2 ARG B 82 -13.696 -4.819 0.765 1.00 0.00 N ATOM 0 H ARG B 82 -8.368 -7.047 2.202 1.00 0.00 H new ATOM 0 HA ARG B 82 -8.638 -8.352 -0.311 1.00 0.00 H new ATOM 0 HB2 ARG B 82 -10.104 -6.552 0.651 1.00 0.00 H new ATOM 0 HB3 ARG B 82 -8.800 -5.406 0.416 1.00 0.00 H new ATOM 0 HG2 ARG B 82 -8.873 -5.787 -2.020 1.00 0.00 H new ATOM 0 HG3 ARG B 82 -10.131 -6.989 -1.810 1.00 0.00 H new ATOM 0 HD2 ARG B 82 -10.341 -4.035 -1.091 1.00 0.00 H new ATOM 0 HD3 ARG B 82 -11.092 -4.815 -2.470 1.00 0.00 H new ATOM 0 HE ARG B 82 -12.152 -6.296 -0.484 1.00 0.00 H new ATOM 0 HH11 ARG B 82 -11.823 -2.796 -0.896 1.00 0.00 H new ATOM 0 HH12 ARG B 82 -13.168 -2.430 0.189 1.00 0.00 H new ATOM 0 HH21 ARG B 82 -13.837 -5.816 0.926 1.00 0.00 H new ATOM 0 HH22 ARG B 82 -14.306 -4.138 1.218 1.00 0.00 H new ATOM 1270 N LEU B 83 -6.024 -6.458 0.163 1.00 0.00 N ATOM 1271 CA LEU B 83 -4.709 -6.091 -0.346 1.00 0.00 C ATOM 1272 C LEU B 83 -3.826 -7.317 -0.501 1.00 0.00 C ATOM 1273 O LEU B 83 -3.114 -7.451 -1.497 1.00 0.00 O ATOM 1274 CB LEU B 83 -4.034 -5.090 0.595 1.00 0.00 C ATOM 1275 CG LEU B 83 -3.799 -3.704 0.001 1.00 0.00 C ATOM 1276 CD1 LEU B 83 -3.301 -2.734 1.058 1.00 0.00 C ATOM 1277 CD2 LEU B 83 -2.816 -3.777 -1.157 1.00 0.00 C ATOM 0 H LEU B 83 -6.188 -6.173 1.128 1.00 0.00 H new ATOM 0 HA LEU B 83 -4.845 -5.631 -1.325 1.00 0.00 H new ATOM 0 HB2 LEU B 83 -4.647 -4.986 1.490 1.00 0.00 H new ATOM 0 HB3 LEU B 83 -3.075 -5.501 0.911 1.00 0.00 H new ATOM 0 HG LEU B 83 -4.753 -3.335 -0.376 1.00 0.00 H new ATOM 0 HD11 LEU B 83 -3.142 -1.755 0.607 1.00 0.00 H new ATOM 0 HD12 LEU B 83 -4.041 -2.651 1.854 1.00 0.00 H new ATOM 0 HD13 LEU B 83 -2.362 -3.099 1.473 1.00 0.00 H new ATOM 0 HD21 LEU B 83 -2.662 -2.779 -1.567 1.00 0.00 H new ATOM 0 HD22 LEU B 83 -1.865 -4.175 -0.802 1.00 0.00 H new ATOM 0 HD23 LEU B 83 -3.216 -4.430 -1.933 1.00 0.00 H new ATOM 1289 N MET B 84 -3.886 -8.206 0.489 1.00 0.00 N ATOM 1290 CA MET B 84 -3.095 -9.436 0.483 1.00 0.00 C ATOM 1291 C MET B 84 -3.254 -10.151 -0.848 1.00 0.00 C ATOM 1292 O MET B 84 -2.272 -10.463 -1.525 1.00 0.00 O ATOM 1293 CB MET B 84 -3.537 -10.371 1.611 1.00 0.00 C ATOM 1294 CG MET B 84 -3.492 -9.746 2.993 1.00 0.00 C ATOM 1295 SD MET B 84 -4.026 -10.891 4.279 1.00 0.00 S ATOM 1296 CE MET B 84 -4.058 -9.805 5.699 1.00 0.00 C ATOM 0 H MET B 84 -4.479 -8.096 1.312 1.00 0.00 H new ATOM 0 HA MET B 84 -2.050 -9.167 0.634 1.00 0.00 H new ATOM 0 HB2 MET B 84 -4.554 -10.708 1.410 1.00 0.00 H new ATOM 0 HB3 MET B 84 -2.901 -11.256 1.604 1.00 0.00 H new ATOM 0 HG2 MET B 84 -2.476 -9.412 3.206 1.00 0.00 H new ATOM 0 HG3 MET B 84 -4.128 -8.861 3.010 1.00 0.00 H new ATOM 0 HE1 MET B 84 -4.568 -10.301 6.525 1.00 0.00 H new ATOM 0 HE2 MET B 84 -3.037 -9.563 5.995 1.00 0.00 H new ATOM 0 HE3 MET B 84 -4.588 -8.888 5.444 1.00 0.00 H new ATOM 1306 N GLN B 85 -4.506 -10.373 -1.223 1.00 0.00 N ATOM 1307 CA GLN B 85 -4.835 -11.030 -2.477 1.00 0.00 C ATOM 1308 C GLN B 85 -4.270 -10.268 -3.666 1.00 0.00 C ATOM 1309 O GLN B 85 -3.717 -10.864 -4.583 1.00 0.00 O ATOM 1310 CB GLN B 85 -6.349 -11.138 -2.624 1.00 0.00 C ATOM 1311 CG GLN B 85 -7.011 -12.023 -1.587 1.00 0.00 C ATOM 1312 CD GLN B 85 -8.519 -11.919 -1.634 1.00 0.00 C ATOM 1313 OE1 GLN B 85 -9.065 -10.869 -1.961 1.00 0.00 O ATOM 1314 NE2 GLN B 85 -9.201 -13.005 -1.316 1.00 0.00 N ATOM 0 H GLN B 85 -5.318 -10.103 -0.668 1.00 0.00 H new ATOM 0 HA GLN B 85 -4.390 -12.025 -2.460 1.00 0.00 H new ATOM 0 HB2 GLN B 85 -6.781 -10.139 -2.563 1.00 0.00 H new ATOM 0 HB3 GLN B 85 -6.580 -11.525 -3.617 1.00 0.00 H new ATOM 0 HG2 GLN B 85 -6.714 -13.059 -1.751 1.00 0.00 H new ATOM 0 HG3 GLN B 85 -6.659 -11.744 -0.594 1.00 0.00 H new ATOM 0 HE21 GLN B 85 -8.708 -13.857 -1.050 1.00 0.00 H new ATOM 0 HE22 GLN B 85 -10.221 -12.991 -1.337 1.00 0.00 H new ATOM 1323 N HIS B 86 -4.382 -8.943 -3.630 1.00 0.00 N ATOM 1324 CA HIS B 86 -4.037 -8.119 -4.784 1.00 0.00 C ATOM 1325 C HIS B 86 -2.533 -8.099 -5.035 1.00 0.00 C ATOM 1326 O HIS B 86 -2.088 -7.832 -6.152 1.00 0.00 O ATOM 1327 CB HIS B 86 -4.567 -6.694 -4.622 1.00 0.00 C ATOM 1328 CG HIS B 86 -4.633 -5.943 -5.917 1.00 0.00 C ATOM 1329 ND1 HIS B 86 -5.282 -6.436 -7.028 1.00 0.00 N ATOM 1330 CD2 HIS B 86 -4.141 -4.735 -6.277 1.00 0.00 C ATOM 1331 CE1 HIS B 86 -5.194 -5.565 -8.010 1.00 0.00 C ATOM 1332 NE2 HIS B 86 -4.508 -4.525 -7.583 1.00 0.00 N ATOM 0 H HIS B 86 -4.708 -8.419 -2.818 1.00 0.00 H new ATOM 0 HA HIS B 86 -4.516 -8.571 -5.653 1.00 0.00 H new ATOM 0 HB2 HIS B 86 -5.562 -6.731 -4.178 1.00 0.00 H new ATOM 0 HB3 HIS B 86 -3.927 -6.151 -3.926 1.00 0.00 H new ATOM 0 HD2 HIS B 86 -3.568 -4.063 -5.655 1.00 0.00 H new ATOM 0 HE1 HIS B 86 -5.613 -5.683 -8.998 1.00 0.00 H new ATOM 0 HE2 HIS B 86 -4.285 -3.696 -8.134 1.00 0.00 H new ATOM 1341 N LEU B 87 -1.749 -8.373 -4.004 1.00 0.00 N ATOM 1342 CA LEU B 87 -0.315 -8.509 -4.186 1.00 0.00 C ATOM 1343 C LEU B 87 0.028 -9.940 -4.595 1.00 0.00 C ATOM 1344 O LEU B 87 0.828 -10.165 -5.508 1.00 0.00 O ATOM 1345 CB LEU B 87 0.461 -8.123 -2.916 1.00 0.00 C ATOM 1346 CG LEU B 87 0.591 -6.617 -2.617 1.00 0.00 C ATOM 1347 CD1 LEU B 87 0.176 -5.758 -3.808 1.00 0.00 C ATOM 1348 CD2 LEU B 87 -0.208 -6.246 -1.377 1.00 0.00 C ATOM 0 H LEU B 87 -2.076 -8.504 -3.047 1.00 0.00 H new ATOM 0 HA LEU B 87 -0.016 -7.823 -4.978 1.00 0.00 H new ATOM 0 HB2 LEU B 87 -0.023 -8.599 -2.063 1.00 0.00 H new ATOM 0 HB3 LEU B 87 1.464 -8.544 -2.989 1.00 0.00 H new ATOM 0 HG LEU B 87 1.645 -6.413 -2.427 1.00 0.00 H new ATOM 0 HD11 LEU B 87 0.284 -4.704 -3.552 1.00 0.00 H new ATOM 0 HD12 LEU B 87 0.811 -5.990 -4.663 1.00 0.00 H new ATOM 0 HD13 LEU B 87 -0.864 -5.965 -4.061 1.00 0.00 H new ATOM 0 HD21 LEU B 87 -0.103 -5.179 -1.183 1.00 0.00 H new ATOM 0 HD22 LEU B 87 -1.260 -6.484 -1.537 1.00 0.00 H new ATOM 0 HD23 LEU B 87 0.166 -6.809 -0.522 1.00 0.00 H new ATOM 1360 N ALA B 88 -0.612 -10.905 -3.942 1.00 0.00 N ATOM 1361 CA ALA B 88 -0.341 -12.316 -4.195 1.00 0.00 C ATOM 1362 C ALA B 88 -0.777 -12.735 -5.597 1.00 0.00 C ATOM 1363 O ALA B 88 -0.173 -13.623 -6.200 1.00 0.00 O ATOM 1364 CB ALA B 88 -1.028 -13.180 -3.147 1.00 0.00 C ATOM 0 H ALA B 88 -1.324 -10.735 -3.232 1.00 0.00 H new ATOM 0 HA ALA B 88 0.737 -12.462 -4.129 1.00 0.00 H new ATOM 0 HB1 ALA B 88 -0.818 -14.231 -3.347 1.00 0.00 H new ATOM 0 HB2 ALA B 88 -0.655 -12.917 -2.157 1.00 0.00 H new ATOM 0 HB3 ALA B 88 -2.104 -13.012 -3.185 1.00 0.00 H new ATOM 1370 N GLU B 89 -1.816 -12.091 -6.116 1.00 0.00 N ATOM 1371 CA GLU B 89 -2.339 -12.421 -7.437 1.00 0.00 C ATOM 1372 C GLU B 89 -1.363 -12.026 -8.546 1.00 0.00 C ATOM 1373 O GLU B 89 -1.460 -12.515 -9.669 1.00 0.00 O ATOM 1374 CB GLU B 89 -3.698 -11.748 -7.669 1.00 0.00 C ATOM 1375 CG GLU B 89 -3.650 -10.227 -7.667 1.00 0.00 C ATOM 1376 CD GLU B 89 -5.000 -9.596 -7.951 1.00 0.00 C ATOM 1377 OE1 GLU B 89 -5.441 -9.607 -9.123 1.00 0.00 O ATOM 1378 OE2 GLU B 89 -5.640 -9.110 -6.998 1.00 0.00 O ATOM 0 H GLU B 89 -2.313 -11.337 -5.642 1.00 0.00 H new ATOM 0 HA GLU B 89 -2.469 -13.503 -7.471 1.00 0.00 H new ATOM 0 HB2 GLU B 89 -4.100 -12.086 -8.624 1.00 0.00 H new ATOM 0 HB3 GLU B 89 -4.391 -12.079 -6.896 1.00 0.00 H new ATOM 0 HG2 GLU B 89 -3.289 -9.881 -6.699 1.00 0.00 H new ATOM 0 HG3 GLU B 89 -2.932 -9.890 -8.414 1.00 0.00 H new ATOM 1385 N HIS B 90 -0.417 -11.150 -8.232 1.00 0.00 N ATOM 1386 CA HIS B 90 0.527 -10.672 -9.236 1.00 0.00 C ATOM 1387 C HIS B 90 1.899 -11.323 -9.086 1.00 0.00 C ATOM 1388 O HIS B 90 2.526 -11.686 -10.081 1.00 0.00 O ATOM 1389 CB HIS B 90 0.658 -9.150 -9.181 1.00 0.00 C ATOM 1390 CG HIS B 90 -0.469 -8.423 -9.848 1.00 0.00 C ATOM 1391 ND1 HIS B 90 -0.496 -8.163 -11.199 1.00 0.00 N ATOM 1392 CD2 HIS B 90 -1.608 -7.890 -9.344 1.00 0.00 C ATOM 1393 CE1 HIS B 90 -1.600 -7.506 -11.498 1.00 0.00 C ATOM 1394 NE2 HIS B 90 -2.294 -7.324 -10.392 1.00 0.00 N ATOM 0 H HIS B 90 -0.283 -10.759 -7.300 1.00 0.00 H new ATOM 0 HA HIS B 90 0.128 -10.958 -10.209 1.00 0.00 H new ATOM 0 HB2 HIS B 90 0.714 -8.837 -8.139 1.00 0.00 H new ATOM 0 HB3 HIS B 90 1.596 -8.858 -9.652 1.00 0.00 H new ATOM 0 HD2 HIS B 90 -1.919 -7.907 -8.310 1.00 0.00 H new ATOM 0 HE1 HIS B 90 -1.887 -7.173 -12.484 1.00 0.00 H new ATOM 0 HE2 HIS B 90 -3.191 -6.843 -10.325 1.00 0.00 H new ATOM 1403 N GLY B 91 2.365 -11.471 -7.852 1.00 0.00 N ATOM 1404 CA GLY B 91 3.671 -12.073 -7.631 1.00 0.00 C ATOM 1405 C GLY B 91 4.571 -11.220 -6.758 1.00 0.00 C ATOM 1406 O GLY B 91 5.787 -11.423 -6.723 1.00 0.00 O ATOM 0 H GLY B 91 1.870 -11.189 -7.006 1.00 0.00 H new ATOM 0 HA2 GLY B 91 3.542 -13.050 -7.166 1.00 0.00 H new ATOM 0 HA3 GLY B 91 4.157 -12.239 -8.592 1.00 0.00 H new ATOM 1410 N ILE B 92 3.958 -10.271 -6.056 1.00 0.00 N ATOM 1411 CA ILE B 92 4.649 -9.376 -5.132 1.00 0.00 C ATOM 1412 C ILE B 92 5.603 -10.119 -4.199 1.00 0.00 C ATOM 1413 O ILE B 92 5.323 -11.245 -3.770 1.00 0.00 O ATOM 1414 CB ILE B 92 3.604 -8.589 -4.302 1.00 0.00 C ATOM 1415 CG1 ILE B 92 3.196 -7.327 -5.052 1.00 0.00 C ATOM 1416 CG2 ILE B 92 4.105 -8.253 -2.903 1.00 0.00 C ATOM 1417 CD1 ILE B 92 2.420 -7.597 -6.316 1.00 0.00 C ATOM 0 H ILE B 92 2.954 -10.100 -6.114 1.00 0.00 H new ATOM 0 HA ILE B 92 5.254 -8.692 -5.727 1.00 0.00 H new ATOM 0 HB ILE B 92 2.732 -9.230 -4.172 1.00 0.00 H new ATOM 0 HG12 ILE B 92 2.593 -6.702 -4.393 1.00 0.00 H new ATOM 0 HG13 ILE B 92 4.091 -6.757 -5.301 1.00 0.00 H new ATOM 0 HG21 ILE B 92 3.335 -7.702 -2.363 1.00 0.00 H new ATOM 0 HG22 ILE B 92 4.334 -9.174 -2.368 1.00 0.00 H new ATOM 0 HG23 ILE B 92 5.005 -7.642 -2.976 1.00 0.00 H new ATOM 0 HD11 ILE B 92 2.165 -6.652 -6.795 1.00 0.00 H new ATOM 0 HD12 ILE B 92 3.027 -8.195 -6.995 1.00 0.00 H new ATOM 0 HD13 ILE B 92 1.506 -8.139 -6.073 1.00 0.00 H new ATOM 1429 N GLN B 93 6.731 -9.482 -3.898 1.00 0.00 N ATOM 1430 CA GLN B 93 7.698 -10.048 -2.973 1.00 0.00 C ATOM 1431 C GLN B 93 7.279 -9.748 -1.537 1.00 0.00 C ATOM 1432 O GLN B 93 7.254 -8.590 -1.116 1.00 0.00 O ATOM 1433 CB GLN B 93 9.108 -9.509 -3.246 1.00 0.00 C ATOM 1434 CG GLN B 93 9.727 -10.015 -4.547 1.00 0.00 C ATOM 1435 CD GLN B 93 9.335 -9.196 -5.764 1.00 0.00 C ATOM 1436 OE1 GLN B 93 10.020 -8.237 -6.126 1.00 0.00 O ATOM 1437 NE2 GLN B 93 8.245 -9.569 -6.415 1.00 0.00 N ATOM 0 H GLN B 93 6.994 -8.575 -4.283 1.00 0.00 H new ATOM 0 HA GLN B 93 7.722 -11.128 -3.119 1.00 0.00 H new ATOM 0 HB2 GLN B 93 9.070 -8.420 -3.273 1.00 0.00 H new ATOM 0 HB3 GLN B 93 9.758 -9.785 -2.415 1.00 0.00 H new ATOM 0 HG2 GLN B 93 10.813 -10.009 -4.450 1.00 0.00 H new ATOM 0 HG3 GLN B 93 9.426 -11.051 -4.704 1.00 0.00 H new ATOM 0 HE21 GLN B 93 7.703 -10.368 -6.086 1.00 0.00 H new ATOM 0 HE22 GLN B 93 7.947 -9.058 -7.246 1.00 0.00 H new