USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=14 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: A 31 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 69 MET CE :methyl -120:sc= -2.58! (180deg=-4.54!) USER MOD Set 2.1: A 42 GLN : amide:sc= -0.839 X(o=-0.18,f=-0.5) USER MOD Set 2.2: A 48 THR OG1 : rot 70:sc= 0.655 USER MOD Single : A 17 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 18 ASN : amide:sc= 0.86 K(o=0.86,f=-0.16) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.125 F(o=-1.5!,f=-0.12) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 26:sc= 0.913 USER MOD Single : A 44 THR OG1 : rot -72:sc= 0.627 USER MOD Single : A 49 SER OG : rot -85:sc= 1.1 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.173 K(o=-0.17,f=-0.98) USER MOD Single : A 67 GLN :FLIP amide:sc=-0.00634 F(o=-1,f=-0.0063) USER MOD Single : B 81 GLN :FLIP amide:sc= -0.0221 F(o=-1.3!,f=-0.022) USER MOD Single : B 84 MET CE :methyl -175:sc= -0.443 (180deg=-0.519) USER MOD Single : B 85 GLN : amide:sc=-0.00921 K(o=-0.0092,f=-1) USER MOD Single : B 86 HIS : no HD1:sc= -1.18! C(o=-1.2!,f=-6!) USER MOD Single : B 90 HIS :FLIP no HE2:sc= -0.0371 F(o=-0.75,f=-0.037) USER MOD Single : B 93 GLN : amide:sc= 0.177 K(o=0.18,f=-7.7!) USER MOD ----------------------------------------------------------------- ATOM 168 N VAL A 12 -0.047 10.880 -3.687 1.00 0.00 N ATOM 169 CA VAL A 12 -0.102 10.607 -2.251 1.00 0.00 C ATOM 170 C VAL A 12 1.287 10.672 -1.603 1.00 0.00 C ATOM 171 O VAL A 12 1.611 11.636 -0.908 1.00 0.00 O ATOM 172 CB VAL A 12 -0.761 9.245 -1.973 1.00 0.00 C ATOM 173 CG1 VAL A 12 -1.006 9.046 -0.485 1.00 0.00 C ATOM 174 CG2 VAL A 12 -2.053 9.132 -2.763 1.00 0.00 C ATOM 0 HA VAL A 12 -0.714 11.388 -1.800 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.083 8.455 -2.295 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.473 8.075 -0.320 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.057 9.088 0.049 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.665 9.832 -0.116 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.518 8.166 -2.564 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.733 9.930 -2.465 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.837 9.218 -3.828 1.00 0.00 H new ATOM 184 N GLY A 13 2.091 9.651 -1.847 1.00 0.00 N ATOM 185 CA GLY A 13 3.447 9.597 -1.342 1.00 0.00 C ATOM 186 C GLY A 13 4.191 8.431 -1.955 1.00 0.00 C ATOM 187 O GLY A 13 5.148 7.906 -1.380 1.00 0.00 O ATOM 0 H GLY A 13 1.820 8.838 -2.400 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.965 10.528 -1.571 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.434 9.498 -0.257 1.00 0.00 H new ATOM 191 N TRP A 14 3.745 8.033 -3.141 1.00 0.00 N ATOM 192 CA TRP A 14 4.267 6.851 -3.805 1.00 0.00 C ATOM 193 C TRP A 14 5.088 7.224 -5.035 1.00 0.00 C ATOM 194 O TRP A 14 4.695 8.086 -5.823 1.00 0.00 O ATOM 195 CB TRP A 14 3.108 5.928 -4.203 1.00 0.00 C ATOM 196 CG TRP A 14 3.523 4.769 -5.058 1.00 0.00 C ATOM 197 CD1 TRP A 14 4.117 3.610 -4.644 1.00 0.00 C ATOM 198 CD2 TRP A 14 3.373 4.659 -6.477 1.00 0.00 C ATOM 199 NE1 TRP A 14 4.353 2.793 -5.721 1.00 0.00 N ATOM 200 CE2 TRP A 14 3.904 3.415 -6.859 1.00 0.00 C ATOM 201 CE3 TRP A 14 2.843 5.496 -7.464 1.00 0.00 C ATOM 202 CZ2 TRP A 14 3.919 2.987 -8.183 1.00 0.00 C ATOM 203 CZ3 TRP A 14 2.858 5.070 -8.777 1.00 0.00 C ATOM 204 CH2 TRP A 14 3.392 3.825 -9.128 1.00 0.00 C ATOM 0 H TRP A 14 3.016 8.519 -3.664 1.00 0.00 H new ATOM 0 HA TRP A 14 4.925 6.330 -3.110 1.00 0.00 H new ATOM 0 HB2 TRP A 14 2.632 5.548 -3.299 1.00 0.00 H new ATOM 0 HB3 TRP A 14 2.358 6.512 -4.737 1.00 0.00 H new ATOM 0 HD1 TRP A 14 4.364 3.372 -3.620 1.00 0.00 H new ATOM 0 HE1 TRP A 14 4.791 1.873 -5.682 1.00 0.00 H new ATOM 0 HE3 TRP A 14 2.429 6.459 -7.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.332 2.027 -8.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 2.451 5.709 -9.547 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.388 3.520 -10.164 1.00 0.00 H new ATOM 215 N ASP A 15 6.233 6.574 -5.177 1.00 0.00 N ATOM 216 CA ASP A 15 7.070 6.714 -6.358 1.00 0.00 C ATOM 217 C ASP A 15 7.162 5.378 -7.083 1.00 0.00 C ATOM 218 O ASP A 15 7.372 4.336 -6.471 1.00 0.00 O ATOM 219 CB ASP A 15 8.471 7.199 -5.979 1.00 0.00 C ATOM 220 CG ASP A 15 9.443 7.147 -7.144 1.00 0.00 C ATOM 221 OD1 ASP A 15 9.998 6.062 -7.410 1.00 0.00 O ATOM 222 OD2 ASP A 15 9.653 8.188 -7.802 1.00 0.00 O ATOM 0 H ASP A 15 6.608 5.935 -4.476 1.00 0.00 H new ATOM 0 HA ASP A 15 6.618 7.455 -7.017 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.409 8.222 -5.608 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.855 6.587 -5.163 1.00 0.00 H new ATOM 227 N PRO A 16 6.982 5.430 -8.418 1.00 0.00 N ATOM 228 CA PRO A 16 6.927 4.258 -9.302 1.00 0.00 C ATOM 229 C PRO A 16 7.986 3.191 -9.029 1.00 0.00 C ATOM 230 O PRO A 16 7.701 2.000 -9.134 1.00 0.00 O ATOM 231 CB PRO A 16 7.151 4.860 -10.687 1.00 0.00 C ATOM 232 CG PRO A 16 6.603 6.239 -10.598 1.00 0.00 C ATOM 233 CD PRO A 16 6.794 6.685 -9.172 1.00 0.00 C ATOM 0 HA PRO A 16 5.985 3.728 -9.166 1.00 0.00 H new ATOM 0 HB2 PRO A 16 8.210 4.872 -10.946 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.641 4.281 -11.457 1.00 0.00 H new ATOM 0 HG2 PRO A 16 7.121 6.907 -11.286 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.548 6.255 -10.871 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.659 7.341 -9.073 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.929 7.241 -8.810 1.00 0.00 H new ATOM 241 N GLN A 17 9.210 3.614 -8.726 1.00 0.00 N ATOM 242 CA GLN A 17 10.301 2.669 -8.514 1.00 0.00 C ATOM 243 C GLN A 17 10.658 2.530 -7.037 1.00 0.00 C ATOM 244 O GLN A 17 11.140 1.482 -6.604 1.00 0.00 O ATOM 245 CB GLN A 17 11.544 3.090 -9.298 1.00 0.00 C ATOM 246 CG GLN A 17 11.290 3.334 -10.776 1.00 0.00 C ATOM 247 CD GLN A 17 12.570 3.451 -11.587 1.00 0.00 C ATOM 248 OE1 GLN A 17 13.644 3.897 -10.954 1.00 0.00 O flip ATOM 249 NE2 GLN A 17 12.592 3.129 -12.773 1.00 0.00 N flip ATOM 0 H GLN A 17 9.470 4.595 -8.623 1.00 0.00 H new ATOM 0 HA GLN A 17 9.953 1.701 -8.874 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.950 3.999 -8.855 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.306 2.317 -9.194 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.687 2.518 -11.175 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.707 4.248 -10.893 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.743 2.790 -13.225 1.00 0.00 H new ATOM 0 HE22 GLN A 17 13.459 3.201 -13.305 1.00 0.00 H new ATOM 258 N ASN A 18 10.440 3.587 -6.269 1.00 0.00 N ATOM 259 CA ASN A 18 10.912 3.631 -4.886 1.00 0.00 C ATOM 260 C ASN A 18 9.824 3.247 -3.887 1.00 0.00 C ATOM 261 O ASN A 18 10.121 2.956 -2.728 1.00 0.00 O ATOM 262 CB ASN A 18 11.454 5.019 -4.550 1.00 0.00 C ATOM 263 CG ASN A 18 12.698 5.371 -5.344 1.00 0.00 C ATOM 264 OD1 ASN A 18 13.821 5.104 -4.916 1.00 0.00 O ATOM 265 ND2 ASN A 18 12.511 5.970 -6.508 1.00 0.00 N ATOM 0 H ASN A 18 9.942 4.423 -6.574 1.00 0.00 H new ATOM 0 HA ASN A 18 11.711 2.895 -4.802 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.681 5.763 -4.745 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.682 5.067 -3.485 1.00 0.00 H new ATOM 0 HD21 ASN A 18 13.313 6.227 -7.084 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.565 6.175 -6.830 1.00 0.00 H new ATOM 272 N GLY A 19 8.576 3.260 -4.330 1.00 0.00 N ATOM 273 CA GLY A 19 7.478 2.868 -3.470 1.00 0.00 C ATOM 274 C GLY A 19 6.950 4.018 -2.641 1.00 0.00 C ATOM 275 O GLY A 19 7.202 5.186 -2.948 1.00 0.00 O ATOM 0 H GLY A 19 8.303 3.536 -5.273 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.670 2.463 -4.080 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.808 2.068 -2.807 1.00 0.00 H new ATOM 279 N PHE A 20 6.215 3.686 -1.592 1.00 0.00 N ATOM 280 CA PHE A 20 5.669 4.683 -0.678 1.00 0.00 C ATOM 281 C PHE A 20 6.756 5.150 0.278 1.00 0.00 C ATOM 282 O PHE A 20 7.683 4.402 0.584 1.00 0.00 O ATOM 283 CB PHE A 20 4.515 4.099 0.152 1.00 0.00 C ATOM 284 CG PHE A 20 3.296 3.697 -0.636 1.00 0.00 C ATOM 285 CD1 PHE A 20 3.192 2.424 -1.174 1.00 0.00 C ATOM 286 CD2 PHE A 20 2.247 4.587 -0.819 1.00 0.00 C ATOM 287 CE1 PHE A 20 2.069 2.048 -1.883 1.00 0.00 C ATOM 288 CE2 PHE A 20 1.122 4.216 -1.530 1.00 0.00 C ATOM 289 CZ PHE A 20 1.033 2.945 -2.063 1.00 0.00 C ATOM 0 H PHE A 20 5.980 2.724 -1.349 1.00 0.00 H new ATOM 0 HA PHE A 20 5.297 5.516 -1.275 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.883 3.226 0.692 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.218 4.835 0.900 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.998 1.719 -1.037 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.311 5.581 -0.401 1.00 0.00 H new ATOM 0 HE1 PHE A 20 2.000 1.053 -2.297 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.314 4.919 -1.669 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.155 2.652 -2.620 1.00 0.00 H new ATOM 299 N ASP A 21 6.656 6.381 0.744 1.00 0.00 N ATOM 300 CA ASP A 21 7.539 6.838 1.801 1.00 0.00 C ATOM 301 C ASP A 21 6.937 6.459 3.143 1.00 0.00 C ATOM 302 O ASP A 21 5.874 6.955 3.520 1.00 0.00 O ATOM 303 CB ASP A 21 7.777 8.345 1.735 1.00 0.00 C ATOM 304 CG ASP A 21 8.658 8.824 2.874 1.00 0.00 C ATOM 305 OD1 ASP A 21 9.876 8.562 2.836 1.00 0.00 O ATOM 306 OD2 ASP A 21 8.141 9.488 3.796 1.00 0.00 O ATOM 0 H ASP A 21 5.983 7.073 0.414 1.00 0.00 H new ATOM 0 HA ASP A 21 8.508 6.356 1.673 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.243 8.599 0.783 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.821 8.866 1.771 1.00 0.00 H new ATOM 311 N VAL A 22 7.614 5.572 3.851 1.00 0.00 N ATOM 312 CA VAL A 22 7.088 5.009 5.088 1.00 0.00 C ATOM 313 C VAL A 22 7.231 5.974 6.260 1.00 0.00 C ATOM 314 O VAL A 22 6.787 5.687 7.375 1.00 0.00 O ATOM 315 CB VAL A 22 7.757 3.662 5.427 1.00 0.00 C ATOM 316 CG1 VAL A 22 7.333 2.598 4.427 1.00 0.00 C ATOM 317 CG2 VAL A 22 9.272 3.786 5.444 1.00 0.00 C ATOM 0 H VAL A 22 8.536 5.222 3.590 1.00 0.00 H new ATOM 0 HA VAL A 22 6.025 4.835 4.921 1.00 0.00 H new ATOM 0 HB VAL A 22 7.430 3.368 6.424 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.812 1.652 4.677 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.250 2.477 4.462 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.632 2.902 3.424 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.713 2.819 5.686 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.622 4.109 4.464 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.569 4.519 6.195 1.00 0.00 H new ATOM 327 N ASN A 23 7.846 7.115 6.002 1.00 0.00 N ATOM 328 CA ASN A 23 7.959 8.163 7.000 1.00 0.00 C ATOM 329 C ASN A 23 6.732 9.074 6.948 1.00 0.00 C ATOM 330 O ASN A 23 6.121 9.374 7.975 1.00 0.00 O ATOM 331 CB ASN A 23 9.246 8.962 6.779 1.00 0.00 C ATOM 332 CG ASN A 23 9.321 10.211 7.633 1.00 0.00 C ATOM 333 OD1 ASN A 23 9.704 10.159 8.802 1.00 0.00 O ATOM 334 ND2 ASN A 23 8.980 11.345 7.043 1.00 0.00 N ATOM 0 H ASN A 23 8.277 7.339 5.105 1.00 0.00 H new ATOM 0 HA ASN A 23 8.004 7.710 7.991 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.104 8.326 6.998 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.317 9.242 5.728 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.029 12.223 7.559 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.668 11.341 6.072 1.00 0.00 H new ATOM 341 N ASN A 24 6.369 9.501 5.747 1.00 0.00 N ATOM 342 CA ASN A 24 5.179 10.319 5.545 1.00 0.00 C ATOM 343 C ASN A 24 4.010 9.463 5.067 1.00 0.00 C ATOM 344 O ASN A 24 3.309 9.817 4.119 1.00 0.00 O ATOM 345 CB ASN A 24 5.452 11.446 4.540 1.00 0.00 C ATOM 346 CG ASN A 24 6.270 12.579 5.134 1.00 0.00 C ATOM 347 OD1 ASN A 24 6.056 12.865 6.409 1.00 0.00 O flip ATOM 348 ND2 ASN A 24 7.072 13.209 4.447 1.00 0.00 N flip ATOM 0 H ASN A 24 6.885 9.293 4.892 1.00 0.00 H new ATOM 0 HA ASN A 24 4.916 10.767 6.503 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.978 11.038 3.677 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.503 11.841 4.177 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.211 12.960 3.468 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.599 13.981 4.857 1.00 0.00 H new ATOM 355 N LEU A 25 3.814 8.329 5.720 1.00 0.00 N ATOM 356 CA LEU A 25 2.680 7.469 5.423 1.00 0.00 C ATOM 357 C LEU A 25 1.430 7.972 6.126 1.00 0.00 C ATOM 358 O LEU A 25 1.417 8.115 7.349 1.00 0.00 O ATOM 359 CB LEU A 25 2.956 6.027 5.853 1.00 0.00 C ATOM 360 CG LEU A 25 3.632 5.141 4.812 1.00 0.00 C ATOM 361 CD1 LEU A 25 3.919 3.770 5.399 1.00 0.00 C ATOM 362 CD2 LEU A 25 2.761 5.002 3.576 1.00 0.00 C ATOM 0 H LEU A 25 4.425 7.983 6.459 1.00 0.00 H new ATOM 0 HA LEU A 25 2.523 7.492 4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.581 6.048 6.746 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.010 5.565 6.136 1.00 0.00 H new ATOM 0 HG LEU A 25 4.572 5.610 4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.402 3.146 4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.578 3.874 6.261 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.984 3.305 5.711 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.263 4.366 2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.806 4.554 3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.588 5.986 3.141 1.00 0.00 H new ATOM 374 N ASP A 26 0.394 8.252 5.343 1.00 0.00 N ATOM 375 CA ASP A 26 -0.910 8.628 5.883 1.00 0.00 C ATOM 376 C ASP A 26 -1.363 7.574 6.893 1.00 0.00 C ATOM 377 O ASP A 26 -1.316 6.376 6.617 1.00 0.00 O ATOM 378 CB ASP A 26 -1.930 8.747 4.740 1.00 0.00 C ATOM 379 CG ASP A 26 -3.309 9.184 5.203 1.00 0.00 C ATOM 380 OD1 ASP A 26 -4.025 8.363 5.822 1.00 0.00 O ATOM 381 OD2 ASP A 26 -3.683 10.354 4.968 1.00 0.00 O ATOM 0 H ASP A 26 0.432 8.226 4.324 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.835 9.593 6.385 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.559 9.461 4.005 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.013 7.784 4.236 1.00 0.00 H new ATOM 386 N PRO A 27 -1.769 8.032 8.094 1.00 0.00 N ATOM 387 CA PRO A 27 -2.128 7.166 9.229 1.00 0.00 C ATOM 388 C PRO A 27 -3.109 6.054 8.876 1.00 0.00 C ATOM 389 O PRO A 27 -3.032 4.960 9.435 1.00 0.00 O ATOM 390 CB PRO A 27 -2.772 8.129 10.224 1.00 0.00 C ATOM 391 CG PRO A 27 -2.165 9.451 9.921 1.00 0.00 C ATOM 392 CD PRO A 27 -1.894 9.462 8.443 1.00 0.00 C ATOM 0 HA PRO A 27 -1.249 6.642 9.605 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.855 8.155 10.105 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.571 7.828 11.252 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.839 10.261 10.199 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.244 9.595 10.486 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.705 9.938 7.892 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.983 10.012 8.208 1.00 0.00 H new ATOM 400 N ASP A 28 -4.025 6.332 7.955 1.00 0.00 N ATOM 401 CA ASP A 28 -5.001 5.334 7.536 1.00 0.00 C ATOM 402 C ASP A 28 -4.339 4.309 6.630 1.00 0.00 C ATOM 403 O ASP A 28 -4.534 3.106 6.797 1.00 0.00 O ATOM 404 CB ASP A 28 -6.188 5.986 6.821 1.00 0.00 C ATOM 405 CG ASP A 28 -7.152 6.669 7.775 1.00 0.00 C ATOM 406 OD1 ASP A 28 -6.742 7.609 8.485 1.00 0.00 O ATOM 407 OD2 ASP A 28 -8.337 6.278 7.810 1.00 0.00 O ATOM 0 H ASP A 28 -4.112 7.234 7.487 1.00 0.00 H new ATOM 0 HA ASP A 28 -5.380 4.833 8.427 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.816 6.717 6.104 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.725 5.226 6.253 1.00 0.00 H new ATOM 412 N LEU A 29 -3.538 4.788 5.684 1.00 0.00 N ATOM 413 CA LEU A 29 -2.776 3.904 4.817 1.00 0.00 C ATOM 414 C LEU A 29 -1.867 3.013 5.652 1.00 0.00 C ATOM 415 O LEU A 29 -1.814 1.803 5.454 1.00 0.00 O ATOM 416 CB LEU A 29 -1.931 4.715 3.838 1.00 0.00 C ATOM 417 CG LEU A 29 -2.705 5.612 2.877 1.00 0.00 C ATOM 418 CD1 LEU A 29 -1.732 6.380 2.002 1.00 0.00 C ATOM 419 CD2 LEU A 29 -3.664 4.789 2.031 1.00 0.00 C ATOM 0 H LEU A 29 -3.401 5.782 5.500 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.476 3.285 4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.242 5.337 4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.325 4.024 3.252 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.297 6.324 3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.287 7.020 1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.085 6.994 2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.124 5.678 1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.207 5.447 1.352 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.102 4.055 1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.372 4.274 2.680 1.00 0.00 H new ATOM 431 N ARG A 30 -1.174 3.629 6.602 1.00 0.00 N ATOM 432 CA ARG A 30 -0.263 2.909 7.479 1.00 0.00 C ATOM 433 C ARG A 30 -1.013 1.845 8.275 1.00 0.00 C ATOM 434 O ARG A 30 -0.529 0.727 8.437 1.00 0.00 O ATOM 435 CB ARG A 30 0.450 3.884 8.418 1.00 0.00 C ATOM 436 CG ARG A 30 1.497 3.222 9.298 1.00 0.00 C ATOM 437 CD ARG A 30 2.679 4.141 9.551 1.00 0.00 C ATOM 438 NE ARG A 30 2.288 5.406 10.171 1.00 0.00 N ATOM 439 CZ ARG A 30 2.797 5.856 11.318 1.00 0.00 C ATOM 440 NH1 ARG A 30 3.662 5.118 12.001 1.00 0.00 N ATOM 441 NH2 ARG A 30 2.442 7.046 11.782 1.00 0.00 N ATOM 0 H ARG A 30 -1.227 4.631 6.784 1.00 0.00 H new ATOM 0 HA ARG A 30 0.487 2.409 6.866 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.926 4.665 7.825 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.290 4.372 9.052 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.046 2.938 10.249 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.844 2.304 8.823 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.398 3.633 10.194 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.184 4.345 8.607 1.00 0.00 H new ATOM 0 HE ARG A 30 1.586 5.976 9.699 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.940 4.202 11.649 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.049 5.467 12.878 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.778 7.619 11.261 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.833 7.388 12.660 1.00 0.00 H new ATOM 455 N SER A 31 -2.206 2.199 8.749 1.00 0.00 N ATOM 456 CA SER A 31 -3.069 1.261 9.455 1.00 0.00 C ATOM 457 C SER A 31 -3.363 0.054 8.566 1.00 0.00 C ATOM 458 O SER A 31 -3.200 -1.097 8.977 1.00 0.00 O ATOM 459 CB SER A 31 -4.381 1.955 9.847 1.00 0.00 C ATOM 460 OG SER A 31 -5.189 1.125 10.666 1.00 0.00 O ATOM 0 H SER A 31 -2.597 3.136 8.655 1.00 0.00 H new ATOM 0 HA SER A 31 -2.563 0.921 10.358 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.159 2.882 10.375 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.933 2.226 8.947 1.00 0.00 H new ATOM 0 HG SER A 31 -6.015 1.599 10.898 1.00 0.00 H new ATOM 466 N LEU A 32 -3.769 0.340 7.334 1.00 0.00 N ATOM 467 CA LEU A 32 -4.133 -0.687 6.370 1.00 0.00 C ATOM 468 C LEU A 32 -2.964 -1.595 6.031 1.00 0.00 C ATOM 469 O LEU A 32 -3.025 -2.808 6.228 1.00 0.00 O ATOM 470 CB LEU A 32 -4.643 -0.038 5.086 1.00 0.00 C ATOM 471 CG LEU A 32 -4.720 -0.969 3.874 1.00 0.00 C ATOM 472 CD1 LEU A 32 -5.496 -2.219 4.223 1.00 0.00 C ATOM 473 CD2 LEU A 32 -5.381 -0.271 2.709 1.00 0.00 C ATOM 0 H LEU A 32 -3.854 1.292 6.977 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.914 -1.294 6.828 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.636 0.371 5.274 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.993 0.802 4.839 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.704 -1.244 3.590 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.543 -2.873 3.352 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.998 -2.740 5.041 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.507 -1.947 4.528 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.426 -0.949 1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.391 0.028 2.989 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.803 0.613 2.439 1.00 0.00 H new ATOM 485 N PHE A 33 -1.912 -0.999 5.510 1.00 0.00 N ATOM 486 CA PHE A 33 -0.806 -1.757 4.950 1.00 0.00 C ATOM 487 C PHE A 33 -0.171 -2.646 6.015 1.00 0.00 C ATOM 488 O PHE A 33 0.272 -3.760 5.731 1.00 0.00 O ATOM 489 CB PHE A 33 0.234 -0.813 4.344 1.00 0.00 C ATOM 490 CG PHE A 33 -0.315 0.176 3.341 1.00 0.00 C ATOM 491 CD1 PHE A 33 -1.536 -0.026 2.689 1.00 0.00 C ATOM 492 CD2 PHE A 33 0.409 1.323 3.044 1.00 0.00 C ATOM 493 CE1 PHE A 33 -2.003 0.897 1.776 1.00 0.00 C ATOM 494 CE2 PHE A 33 -0.058 2.241 2.126 1.00 0.00 C ATOM 495 CZ PHE A 33 -1.264 2.028 1.492 1.00 0.00 C ATOM 0 H PHE A 33 -1.797 0.013 5.461 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.192 -2.398 4.158 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.717 -0.261 5.151 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.007 -1.410 3.859 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.117 -0.911 2.902 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.352 1.499 3.539 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.950 0.734 1.282 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.520 3.126 1.904 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.630 2.746 0.773 1.00 0.00 H new ATOM 505 N SER A 34 -0.166 -2.154 7.251 1.00 0.00 N ATOM 506 CA SER A 34 0.359 -2.907 8.379 1.00 0.00 C ATOM 507 C SER A 34 -0.510 -4.141 8.660 1.00 0.00 C ATOM 508 O SER A 34 0.005 -5.209 9.009 1.00 0.00 O ATOM 509 CB SER A 34 0.434 -1.996 9.602 1.00 0.00 C ATOM 510 OG SER A 34 1.019 -2.650 10.713 1.00 0.00 O ATOM 0 H SER A 34 -0.523 -1.230 7.494 1.00 0.00 H new ATOM 0 HA SER A 34 1.362 -3.262 8.141 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.015 -1.107 9.357 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.569 -1.659 9.866 1.00 0.00 H new ATOM 0 HG SER A 34 1.051 -2.035 11.475 1.00 0.00 H new ATOM 516 N ARG A 35 -1.825 -3.998 8.482 1.00 0.00 N ATOM 517 CA ARG A 35 -2.752 -5.119 8.648 1.00 0.00 C ATOM 518 C ARG A 35 -2.556 -6.141 7.537 1.00 0.00 C ATOM 519 O ARG A 35 -2.705 -7.344 7.746 1.00 0.00 O ATOM 520 CB ARG A 35 -4.206 -4.650 8.622 1.00 0.00 C ATOM 521 CG ARG A 35 -4.592 -3.799 9.802 1.00 0.00 C ATOM 522 CD ARG A 35 -6.030 -3.310 9.687 1.00 0.00 C ATOM 523 NE ARG A 35 -6.414 -2.454 10.809 1.00 0.00 N ATOM 524 CZ ARG A 35 -7.657 -2.020 11.032 1.00 0.00 C ATOM 525 NH1 ARG A 35 -8.656 -2.383 10.235 1.00 0.00 N ATOM 526 NH2 ARG A 35 -7.903 -1.220 12.062 1.00 0.00 N ATOM 0 H ARG A 35 -2.271 -3.118 8.223 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.538 -5.571 9.617 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -4.379 -4.085 7.706 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.859 -5.522 8.586 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.474 -4.373 10.721 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.920 -2.944 9.871 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.151 -2.759 8.754 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.701 -4.168 9.640 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.685 -2.170 11.464 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.478 -3.000 9.442 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.601 -2.045 10.416 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.143 -0.938 12.681 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.852 -0.887 12.234 1.00 0.00 H new ATOM 540 N ALA A 36 -2.219 -5.642 6.353 1.00 0.00 N ATOM 541 CA ALA A 36 -2.093 -6.480 5.167 1.00 0.00 C ATOM 542 C ALA A 36 -0.799 -7.292 5.181 1.00 0.00 C ATOM 543 O ALA A 36 -0.641 -8.237 4.411 1.00 0.00 O ATOM 544 CB ALA A 36 -2.166 -5.621 3.913 1.00 0.00 C ATOM 0 H ALA A 36 -2.027 -4.654 6.189 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.922 -7.187 5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.071 -6.255 3.032 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.123 -5.100 3.884 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.356 -4.891 3.924 1.00 0.00 H new ATOM 550 N GLY A 37 0.127 -6.909 6.050 1.00 0.00 N ATOM 551 CA GLY A 37 1.379 -7.632 6.163 1.00 0.00 C ATOM 552 C GLY A 37 2.494 -6.969 5.384 1.00 0.00 C ATOM 553 O GLY A 37 3.634 -7.429 5.398 1.00 0.00 O ATOM 0 H GLY A 37 0.034 -6.111 6.678 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.663 -7.701 7.213 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.242 -8.651 5.802 1.00 0.00 H new ATOM 557 N ILE A 38 2.157 -5.892 4.691 1.00 0.00 N ATOM 558 CA ILE A 38 3.134 -5.123 3.943 1.00 0.00 C ATOM 559 C ILE A 38 3.988 -4.292 4.897 1.00 0.00 C ATOM 560 O ILE A 38 3.494 -3.365 5.538 1.00 0.00 O ATOM 561 CB ILE A 38 2.433 -4.190 2.940 1.00 0.00 C ATOM 562 CG1 ILE A 38 1.282 -4.931 2.258 1.00 0.00 C ATOM 563 CG2 ILE A 38 3.428 -3.696 1.900 1.00 0.00 C ATOM 564 CD1 ILE A 38 0.208 -4.018 1.731 1.00 0.00 C ATOM 0 H ILE A 38 1.205 -5.530 4.633 1.00 0.00 H new ATOM 0 HA ILE A 38 3.771 -5.818 3.396 1.00 0.00 H new ATOM 0 HB ILE A 38 2.032 -3.330 3.476 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.680 -5.524 1.435 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.838 -5.629 2.968 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.921 -3.037 1.196 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.231 -3.149 2.395 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.846 -4.548 1.363 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.576 -4.612 1.261 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.217 -3.443 2.554 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.638 -3.337 0.996 1.00 0.00 H new ATOM 576 N SER A 39 5.261 -4.637 5.002 1.00 0.00 N ATOM 577 CA SER A 39 6.165 -3.954 5.914 1.00 0.00 C ATOM 578 C SER A 39 6.841 -2.770 5.216 1.00 0.00 C ATOM 579 O SER A 39 6.658 -2.576 4.013 1.00 0.00 O ATOM 580 CB SER A 39 7.201 -4.947 6.441 1.00 0.00 C ATOM 581 OG SER A 39 7.977 -4.398 7.492 1.00 0.00 O ATOM 0 H SER A 39 5.693 -5.389 4.465 1.00 0.00 H new ATOM 0 HA SER A 39 5.597 -3.559 6.756 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.695 -5.845 6.795 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.858 -5.252 5.626 1.00 0.00 H new ATOM 0 HG SER A 39 7.462 -3.700 7.949 1.00 0.00 H new ATOM 587 N GLU A 40 7.618 -1.988 5.968 1.00 0.00 N ATOM 588 CA GLU A 40 8.268 -0.783 5.446 1.00 0.00 C ATOM 589 C GLU A 40 9.052 -1.082 4.172 1.00 0.00 C ATOM 590 O GLU A 40 8.925 -0.375 3.168 1.00 0.00 O ATOM 591 CB GLU A 40 9.220 -0.177 6.485 1.00 0.00 C ATOM 592 CG GLU A 40 8.617 -0.008 7.874 1.00 0.00 C ATOM 593 CD GLU A 40 8.675 -1.280 8.694 1.00 0.00 C ATOM 594 OE1 GLU A 40 9.703 -1.517 9.362 1.00 0.00 O ATOM 595 OE2 GLU A 40 7.683 -2.037 8.697 1.00 0.00 O ATOM 0 H GLU A 40 7.814 -2.171 6.952 1.00 0.00 H new ATOM 0 HA GLU A 40 7.476 -0.069 5.219 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.104 -0.810 6.561 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.555 0.797 6.128 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.147 0.785 8.402 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.579 0.311 7.779 1.00 0.00 H new ATOM 602 N ALA A 41 9.855 -2.139 4.216 1.00 0.00 N ATOM 603 CA ALA A 41 10.660 -2.535 3.068 1.00 0.00 C ATOM 604 C ALA A 41 9.778 -2.898 1.881 1.00 0.00 C ATOM 605 O ALA A 41 10.095 -2.591 0.736 1.00 0.00 O ATOM 606 CB ALA A 41 11.561 -3.703 3.433 1.00 0.00 C ATOM 0 H ALA A 41 9.965 -2.737 5.035 1.00 0.00 H new ATOM 0 HA ALA A 41 11.282 -1.687 2.781 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.156 -3.988 2.566 1.00 0.00 H new ATOM 0 HB2 ALA A 41 12.223 -3.411 4.248 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.950 -4.549 3.748 1.00 0.00 H new ATOM 612 N GLN A 42 8.646 -3.520 2.160 1.00 0.00 N ATOM 613 CA GLN A 42 7.764 -3.979 1.104 1.00 0.00 C ATOM 614 C GLN A 42 6.968 -2.814 0.524 1.00 0.00 C ATOM 615 O GLN A 42 6.577 -2.835 -0.640 1.00 0.00 O ATOM 616 CB GLN A 42 6.837 -5.069 1.627 1.00 0.00 C ATOM 617 CG GLN A 42 6.727 -6.248 0.679 1.00 0.00 C ATOM 618 CD GLN A 42 8.080 -6.819 0.312 1.00 0.00 C ATOM 619 OE1 GLN A 42 9.030 -6.767 1.094 1.00 0.00 O ATOM 620 NE2 GLN A 42 8.173 -7.375 -0.878 1.00 0.00 N ATOM 0 H GLN A 42 8.318 -3.718 3.105 1.00 0.00 H new ATOM 0 HA GLN A 42 8.370 -4.402 0.302 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.202 -5.418 2.593 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.845 -4.648 1.793 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.120 -7.027 1.140 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.209 -5.935 -0.228 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.361 -7.397 -1.495 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.057 -7.784 -1.182 1.00 0.00 H new ATOM 629 N LEU A 43 6.744 -1.791 1.333 1.00 0.00 N ATOM 630 CA LEU A 43 6.101 -0.578 0.853 1.00 0.00 C ATOM 631 C LEU A 43 7.071 0.240 0.014 1.00 0.00 C ATOM 632 O LEU A 43 6.663 1.143 -0.708 1.00 0.00 O ATOM 633 CB LEU A 43 5.570 0.268 2.010 1.00 0.00 C ATOM 634 CG LEU A 43 4.300 -0.261 2.675 1.00 0.00 C ATOM 635 CD1 LEU A 43 3.924 0.596 3.869 1.00 0.00 C ATOM 636 CD2 LEU A 43 3.161 -0.289 1.671 1.00 0.00 C ATOM 0 H LEU A 43 6.997 -1.776 2.321 1.00 0.00 H new ATOM 0 HA LEU A 43 5.254 -0.875 0.234 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.350 0.350 2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.376 1.276 1.643 1.00 0.00 H new ATOM 0 HG LEU A 43 4.489 -1.275 3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.017 0.202 4.328 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.735 0.582 4.597 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.749 1.621 3.541 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.260 -0.667 2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.978 0.720 1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.427 -0.939 0.838 1.00 0.00 H new ATOM 648 N THR A 44 8.356 -0.095 0.096 1.00 0.00 N ATOM 649 CA THR A 44 9.366 0.603 -0.678 1.00 0.00 C ATOM 650 C THR A 44 9.863 -0.304 -1.798 1.00 0.00 C ATOM 651 O THR A 44 10.871 -0.033 -2.457 1.00 0.00 O ATOM 652 CB THR A 44 10.539 1.076 0.213 1.00 0.00 C ATOM 653 OG1 THR A 44 10.906 0.050 1.142 1.00 0.00 O ATOM 654 CG2 THR A 44 10.168 2.336 0.985 1.00 0.00 C ATOM 0 H THR A 44 8.716 -0.843 0.689 1.00 0.00 H new ATOM 0 HA THR A 44 8.916 1.496 -1.112 1.00 0.00 H new ATOM 0 HB THR A 44 11.382 1.297 -0.442 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.213 -0.032 1.830 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.011 2.646 1.603 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.920 3.133 0.284 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.307 2.132 1.622 1.00 0.00 H new ATOM 662 N ASP A 45 9.133 -1.398 -1.997 1.00 0.00 N ATOM 663 CA ASP A 45 9.400 -2.327 -3.084 1.00 0.00 C ATOM 664 C ASP A 45 8.813 -1.801 -4.390 1.00 0.00 C ATOM 665 O ASP A 45 7.958 -0.921 -4.366 1.00 0.00 O ATOM 666 CB ASP A 45 8.807 -3.702 -2.767 1.00 0.00 C ATOM 667 CG ASP A 45 9.152 -4.723 -3.820 1.00 0.00 C ATOM 668 OD1 ASP A 45 10.332 -5.123 -3.887 1.00 0.00 O ATOM 669 OD2 ASP A 45 8.254 -5.091 -4.603 1.00 0.00 O ATOM 0 H ASP A 45 8.342 -1.662 -1.409 1.00 0.00 H new ATOM 0 HA ASP A 45 10.480 -2.423 -3.195 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.176 -4.041 -1.799 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.723 -3.619 -2.684 1.00 0.00 H new ATOM 674 N ALA A 46 9.249 -2.339 -5.518 1.00 0.00 N ATOM 675 CA ALA A 46 8.810 -1.831 -6.809 1.00 0.00 C ATOM 676 C ALA A 46 7.400 -2.310 -7.159 1.00 0.00 C ATOM 677 O ALA A 46 6.454 -1.519 -7.147 1.00 0.00 O ATOM 678 CB ALA A 46 9.800 -2.215 -7.895 1.00 0.00 C ATOM 0 H ALA A 46 9.902 -3.121 -5.567 1.00 0.00 H new ATOM 0 HA ALA A 46 8.772 -0.744 -6.742 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.457 -1.827 -8.854 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.778 -1.793 -7.662 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.877 -3.301 -7.949 1.00 0.00 H new ATOM 684 N GLU A 47 7.247 -3.601 -7.443 1.00 0.00 N ATOM 685 CA GLU A 47 5.955 -4.122 -7.867 1.00 0.00 C ATOM 686 C GLU A 47 4.969 -4.203 -6.706 1.00 0.00 C ATOM 687 O GLU A 47 3.772 -3.965 -6.893 1.00 0.00 O ATOM 688 CB GLU A 47 6.081 -5.482 -8.572 1.00 0.00 C ATOM 689 CG GLU A 47 6.857 -6.540 -7.804 1.00 0.00 C ATOM 690 CD GLU A 47 8.328 -6.558 -8.162 1.00 0.00 C ATOM 691 OE1 GLU A 47 9.030 -5.571 -7.847 1.00 0.00 O ATOM 692 OE2 GLU A 47 8.800 -7.560 -8.739 1.00 0.00 O ATOM 0 H GLU A 47 7.992 -4.296 -7.388 1.00 0.00 H new ATOM 0 HA GLU A 47 5.560 -3.412 -8.594 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.080 -5.863 -8.773 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.564 -5.329 -9.537 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.749 -6.359 -6.734 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.426 -7.520 -8.007 1.00 0.00 H new ATOM 699 N THR A 48 5.460 -4.536 -5.515 1.00 0.00 N ATOM 700 CA THR A 48 4.612 -4.569 -4.332 1.00 0.00 C ATOM 701 C THR A 48 3.879 -3.235 -4.119 1.00 0.00 C ATOM 702 O THR A 48 2.659 -3.210 -3.963 1.00 0.00 O ATOM 703 CB THR A 48 5.413 -4.910 -3.058 1.00 0.00 C ATOM 704 OG1 THR A 48 6.220 -6.078 -3.276 1.00 0.00 O ATOM 705 CG2 THR A 48 4.466 -5.157 -1.892 1.00 0.00 C ATOM 0 H THR A 48 6.435 -4.785 -5.346 1.00 0.00 H new ATOM 0 HA THR A 48 3.878 -5.355 -4.510 1.00 0.00 H new ATOM 0 HB THR A 48 6.061 -4.066 -2.821 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.949 -5.861 -3.894 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.043 -5.397 -0.999 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.871 -4.262 -1.710 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.804 -5.990 -2.131 1.00 0.00 H new ATOM 713 N SER A 49 4.617 -2.127 -4.148 1.00 0.00 N ATOM 714 CA SER A 49 4.033 -0.829 -3.822 1.00 0.00 C ATOM 715 C SER A 49 3.066 -0.361 -4.906 1.00 0.00 C ATOM 716 O SER A 49 2.009 0.199 -4.605 1.00 0.00 O ATOM 717 CB SER A 49 5.130 0.217 -3.616 1.00 0.00 C ATOM 718 OG SER A 49 5.828 0.470 -4.823 1.00 0.00 O ATOM 0 H SER A 49 5.607 -2.101 -4.391 1.00 0.00 H new ATOM 0 HA SER A 49 3.472 -0.947 -2.895 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.689 1.143 -3.247 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.828 -0.129 -2.854 1.00 0.00 H new ATOM 0 HG SER A 49 6.540 -0.194 -4.934 1.00 0.00 H new ATOM 724 N LYS A 50 3.430 -0.597 -6.165 1.00 0.00 N ATOM 725 CA LYS A 50 2.625 -0.137 -7.289 1.00 0.00 C ATOM 726 C LYS A 50 1.218 -0.712 -7.222 1.00 0.00 C ATOM 727 O LYS A 50 0.235 -0.002 -7.436 1.00 0.00 O ATOM 728 CB LYS A 50 3.268 -0.522 -8.623 1.00 0.00 C ATOM 729 CG LYS A 50 2.562 0.100 -9.816 1.00 0.00 C ATOM 730 CD LYS A 50 3.003 -0.516 -11.131 1.00 0.00 C ATOM 731 CE LYS A 50 2.327 0.169 -12.306 1.00 0.00 C ATOM 732 NZ LYS A 50 2.552 -0.557 -13.579 1.00 0.00 N ATOM 0 H LYS A 50 4.275 -1.103 -6.429 1.00 0.00 H new ATOM 0 HA LYS A 50 2.570 0.950 -7.224 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.313 -0.210 -8.621 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.259 -1.607 -8.726 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.485 -0.023 -9.703 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.760 1.172 -9.835 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.085 -0.433 -11.231 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.763 -1.579 -11.138 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.256 0.242 -12.115 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.705 1.187 -12.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.073 -0.055 -14.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.572 -0.605 -13.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.168 -1.521 -13.502 1.00 0.00 H new ATOM 746 N LEU A 51 1.125 -1.994 -6.907 1.00 0.00 N ATOM 747 CA LEU A 51 -0.163 -2.660 -6.847 1.00 0.00 C ATOM 748 C LEU A 51 -1.013 -2.118 -5.718 1.00 0.00 C ATOM 749 O LEU A 51 -2.229 -2.062 -5.843 1.00 0.00 O ATOM 750 CB LEU A 51 -0.004 -4.163 -6.687 1.00 0.00 C ATOM 751 CG LEU A 51 0.533 -4.891 -7.909 1.00 0.00 C ATOM 752 CD1 LEU A 51 0.555 -6.380 -7.652 1.00 0.00 C ATOM 753 CD2 LEU A 51 -0.312 -4.580 -9.130 1.00 0.00 C ATOM 0 H LEU A 51 1.923 -2.591 -6.690 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.666 -2.459 -7.793 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.664 -4.354 -5.847 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.973 -4.589 -6.427 1.00 0.00 H new ATOM 0 HG LEU A 51 1.550 -4.549 -8.101 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.941 -6.895 -8.532 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.196 -6.592 -6.797 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.456 -6.728 -7.442 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.088 -5.110 -9.994 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.339 -4.899 -8.952 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.293 -3.507 -9.322 1.00 0.00 H new ATOM 765 N ILE A 52 -0.390 -1.741 -4.609 1.00 0.00 N ATOM 766 CA ILE A 52 -1.125 -1.135 -3.516 1.00 0.00 C ATOM 767 C ILE A 52 -1.755 0.189 -3.943 1.00 0.00 C ATOM 768 O ILE A 52 -2.923 0.445 -3.665 1.00 0.00 O ATOM 769 CB ILE A 52 -0.223 -0.896 -2.302 1.00 0.00 C ATOM 770 CG1 ILE A 52 0.478 -2.193 -1.907 1.00 0.00 C ATOM 771 CG2 ILE A 52 -1.045 -0.349 -1.152 1.00 0.00 C ATOM 772 CD1 ILE A 52 1.332 -2.061 -0.675 1.00 0.00 C ATOM 0 H ILE A 52 0.612 -1.844 -4.447 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.914 -1.834 -3.238 1.00 0.00 H new ATOM 0 HB ILE A 52 0.542 -0.162 -2.558 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.272 -2.966 -1.739 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.100 -2.528 -2.737 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.399 -0.181 -0.291 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.506 0.593 -1.450 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.823 -1.065 -0.888 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.800 -3.020 -0.452 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.105 -1.311 -0.846 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.711 -1.756 0.167 1.00 0.00 H new ATOM 784 N TYR A 53 -0.982 1.016 -4.633 1.00 0.00 N ATOM 785 CA TYR A 53 -1.478 2.300 -5.119 1.00 0.00 C ATOM 786 C TYR A 53 -2.608 2.075 -6.126 1.00 0.00 C ATOM 787 O TYR A 53 -3.644 2.744 -6.085 1.00 0.00 O ATOM 788 CB TYR A 53 -0.330 3.094 -5.746 1.00 0.00 C ATOM 789 CG TYR A 53 -0.699 4.505 -6.129 1.00 0.00 C ATOM 790 CD1 TYR A 53 -1.019 5.449 -5.160 1.00 0.00 C ATOM 791 CD2 TYR A 53 -0.724 4.893 -7.460 1.00 0.00 C ATOM 792 CE1 TYR A 53 -1.355 6.742 -5.510 1.00 0.00 C ATOM 793 CE2 TYR A 53 -1.057 6.184 -7.819 1.00 0.00 C ATOM 794 CZ TYR A 53 -1.372 7.105 -6.841 1.00 0.00 C ATOM 795 OH TYR A 53 -1.704 8.394 -7.193 1.00 0.00 O ATOM 0 H TYR A 53 -0.009 0.823 -4.870 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.877 2.877 -4.285 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.503 3.125 -5.044 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.021 2.567 -6.634 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.005 5.167 -4.118 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.479 4.174 -8.228 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -1.603 7.465 -4.747 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.071 6.471 -8.860 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.668 8.487 -8.168 1.00 0.00 H new ATOM 805 N ASP A 54 -2.390 1.112 -7.014 1.00 0.00 N ATOM 806 CA ASP A 54 -3.405 0.671 -7.968 1.00 0.00 C ATOM 807 C ASP A 54 -4.649 0.157 -7.239 1.00 0.00 C ATOM 808 O ASP A 54 -5.778 0.474 -7.606 1.00 0.00 O ATOM 809 CB ASP A 54 -2.800 -0.425 -8.858 1.00 0.00 C ATOM 810 CG ASP A 54 -3.830 -1.332 -9.502 1.00 0.00 C ATOM 811 OD1 ASP A 54 -4.342 -0.986 -10.585 1.00 0.00 O ATOM 812 OD2 ASP A 54 -4.091 -2.420 -8.948 1.00 0.00 O ATOM 0 H ASP A 54 -1.504 0.613 -7.094 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.716 1.513 -8.587 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.204 0.044 -9.641 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.120 -1.031 -8.259 1.00 0.00 H new ATOM 817 N PHE A 55 -4.411 -0.624 -6.194 1.00 0.00 N ATOM 818 CA PHE A 55 -5.465 -1.142 -5.328 1.00 0.00 C ATOM 819 C PHE A 55 -6.302 -0.012 -4.753 1.00 0.00 C ATOM 820 O PHE A 55 -7.530 -0.066 -4.760 1.00 0.00 O ATOM 821 CB PHE A 55 -4.814 -1.944 -4.198 1.00 0.00 C ATOM 822 CG PHE A 55 -5.714 -2.261 -3.042 1.00 0.00 C ATOM 823 CD1 PHE A 55 -6.557 -3.356 -3.087 1.00 0.00 C ATOM 824 CD2 PHE A 55 -5.692 -1.477 -1.894 1.00 0.00 C ATOM 825 CE1 PHE A 55 -7.365 -3.667 -2.013 1.00 0.00 C ATOM 826 CE2 PHE A 55 -6.502 -1.782 -0.821 1.00 0.00 C ATOM 827 CZ PHE A 55 -7.338 -2.880 -0.880 1.00 0.00 C ATOM 0 H PHE A 55 -3.474 -0.919 -5.920 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.129 -1.782 -5.910 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.434 -2.879 -4.609 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.954 -1.387 -3.827 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.583 -3.974 -3.972 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.035 -0.622 -1.842 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.018 -4.526 -2.059 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.483 -1.164 0.064 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.971 -3.123 -0.039 1.00 0.00 H new ATOM 837 N ILE A 56 -5.623 1.004 -4.255 1.00 0.00 N ATOM 838 CA ILE A 56 -6.275 2.157 -3.662 1.00 0.00 C ATOM 839 C ILE A 56 -7.159 2.872 -4.681 1.00 0.00 C ATOM 840 O ILE A 56 -8.295 3.241 -4.377 1.00 0.00 O ATOM 841 CB ILE A 56 -5.220 3.118 -3.081 1.00 0.00 C ATOM 842 CG1 ILE A 56 -4.531 2.444 -1.893 1.00 0.00 C ATOM 843 CG2 ILE A 56 -5.842 4.444 -2.670 1.00 0.00 C ATOM 844 CD1 ILE A 56 -3.314 3.175 -1.374 1.00 0.00 C ATOM 0 H ILE A 56 -4.604 1.054 -4.250 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.918 1.812 -2.852 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.481 3.339 -3.851 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.252 2.343 -1.081 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.236 1.436 -2.185 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.070 5.098 -2.264 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.298 4.917 -3.540 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.604 4.269 -1.911 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.891 2.626 -0.533 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.571 3.253 -2.167 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.602 4.174 -1.047 1.00 0.00 H new ATOM 856 N GLU A 57 -6.645 3.048 -5.893 1.00 0.00 N ATOM 857 CA GLU A 57 -7.419 3.658 -6.965 1.00 0.00 C ATOM 858 C GLU A 57 -8.610 2.770 -7.325 1.00 0.00 C ATOM 859 O GLU A 57 -9.710 3.257 -7.593 1.00 0.00 O ATOM 860 CB GLU A 57 -6.544 3.886 -8.203 1.00 0.00 C ATOM 861 CG GLU A 57 -7.253 4.673 -9.295 1.00 0.00 C ATOM 862 CD GLU A 57 -6.346 5.073 -10.439 1.00 0.00 C ATOM 863 OE1 GLU A 57 -6.089 4.225 -11.317 1.00 0.00 O ATOM 864 OE2 GLU A 57 -5.858 6.222 -10.451 1.00 0.00 O ATOM 0 H GLU A 57 -5.698 2.777 -6.156 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.786 4.624 -6.617 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.639 4.418 -7.909 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.231 2.921 -8.603 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.076 4.075 -9.687 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.691 5.571 -8.858 1.00 0.00 H new ATOM 871 N ASP A 58 -8.383 1.463 -7.295 1.00 0.00 N ATOM 872 CA ASP A 58 -9.405 0.479 -7.642 1.00 0.00 C ATOM 873 C ASP A 58 -10.595 0.542 -6.682 1.00 0.00 C ATOM 874 O ASP A 58 -11.729 0.255 -7.067 1.00 0.00 O ATOM 875 CB ASP A 58 -8.795 -0.926 -7.639 1.00 0.00 C ATOM 876 CG ASP A 58 -9.801 -2.015 -7.966 1.00 0.00 C ATOM 877 OD1 ASP A 58 -10.427 -1.951 -9.048 1.00 0.00 O ATOM 878 OD2 ASP A 58 -9.945 -2.959 -7.161 1.00 0.00 O ATOM 0 H ASP A 58 -7.487 1.054 -7.030 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.774 0.712 -8.641 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.981 -0.963 -8.363 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.360 -1.124 -6.659 1.00 0.00 H new ATOM 883 N GLN A 59 -10.336 0.931 -5.435 1.00 0.00 N ATOM 884 CA GLN A 59 -11.394 1.001 -4.425 1.00 0.00 C ATOM 885 C GLN A 59 -12.120 2.344 -4.472 1.00 0.00 C ATOM 886 O GLN A 59 -13.207 2.497 -3.910 1.00 0.00 O ATOM 887 CB GLN A 59 -10.822 0.768 -3.020 1.00 0.00 C ATOM 888 CG GLN A 59 -9.993 -0.501 -2.904 1.00 0.00 C ATOM 889 CD GLN A 59 -10.705 -1.728 -3.438 1.00 0.00 C ATOM 890 OE1 GLN A 59 -11.931 -1.837 -3.379 1.00 0.00 O ATOM 891 NE2 GLN A 59 -9.937 -2.652 -3.990 1.00 0.00 N ATOM 0 H GLN A 59 -9.411 1.201 -5.100 1.00 0.00 H new ATOM 0 HA GLN A 59 -12.113 0.213 -4.651 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -10.205 1.622 -2.742 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -11.644 0.722 -2.305 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.057 -0.367 -3.446 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -9.735 -0.665 -1.858 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.925 -2.524 -4.019 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -10.356 -3.493 -4.387 1.00 0.00 H new ATOM 900 N GLY A 60 -11.523 3.315 -5.146 1.00 0.00 N ATOM 901 CA GLY A 60 -12.137 4.623 -5.243 1.00 0.00 C ATOM 902 C GLY A 60 -11.286 5.714 -4.624 1.00 0.00 C ATOM 903 O GLY A 60 -11.744 6.840 -4.444 1.00 0.00 O ATOM 0 H GLY A 60 -10.628 3.222 -5.626 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.317 4.859 -6.292 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.109 4.602 -4.750 1.00 0.00 H new ATOM 907 N GLY A 61 -10.050 5.380 -4.286 1.00 0.00 N ATOM 908 CA GLY A 61 -9.139 6.371 -3.755 1.00 0.00 C ATOM 909 C GLY A 61 -8.878 6.191 -2.271 1.00 0.00 C ATOM 910 O GLY A 61 -9.505 5.353 -1.623 1.00 0.00 O ATOM 0 H GLY A 61 -9.662 4.440 -4.370 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.194 6.316 -4.295 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.549 7.366 -3.930 1.00 0.00 H new ATOM 914 N LEU A 62 -7.955 6.995 -1.741 1.00 0.00 N ATOM 915 CA LEU A 62 -7.533 6.906 -0.340 1.00 0.00 C ATOM 916 C LEU A 62 -8.722 6.952 0.607 1.00 0.00 C ATOM 917 O LEU A 62 -8.906 6.081 1.456 1.00 0.00 O ATOM 918 CB LEU A 62 -6.615 8.077 0.006 1.00 0.00 C ATOM 919 CG LEU A 62 -5.378 8.243 -0.870 1.00 0.00 C ATOM 920 CD1 LEU A 62 -4.660 9.526 -0.499 1.00 0.00 C ATOM 921 CD2 LEU A 62 -4.443 7.052 -0.720 1.00 0.00 C ATOM 0 H LEU A 62 -7.479 7.726 -2.269 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.013 5.955 -0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.198 8.997 -0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.290 7.964 1.040 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.692 8.295 -1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.776 9.643 -1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.328 10.374 -0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.359 9.485 0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.568 7.194 -1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.127 6.966 0.320 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.963 6.141 -1.017 1.00 0.00 H new ATOM 933 N GLU A 63 -9.532 7.978 0.431 1.00 0.00 N ATOM 934 CA GLU A 63 -10.600 8.292 1.359 1.00 0.00 C ATOM 935 C GLU A 63 -11.729 7.264 1.303 1.00 0.00 C ATOM 936 O GLU A 63 -12.477 7.101 2.268 1.00 0.00 O ATOM 937 CB GLU A 63 -11.091 9.707 1.064 1.00 0.00 C ATOM 938 CG GLU A 63 -10.005 10.743 1.293 1.00 0.00 C ATOM 939 CD GLU A 63 -10.241 12.039 0.552 1.00 0.00 C ATOM 940 OE1 GLU A 63 -10.941 12.919 1.090 1.00 0.00 O ATOM 941 OE2 GLU A 63 -9.706 12.195 -0.563 1.00 0.00 O ATOM 0 H GLU A 63 -9.468 8.618 -0.361 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.220 8.248 2.380 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.435 9.764 0.031 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.948 9.933 1.698 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.933 10.952 2.360 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.046 10.327 0.984 1.00 0.00 H new ATOM 948 N ALA A 64 -11.830 6.554 0.188 1.00 0.00 N ATOM 949 CA ALA A 64 -12.792 5.467 0.069 1.00 0.00 C ATOM 950 C ALA A 64 -12.272 4.233 0.799 1.00 0.00 C ATOM 951 O ALA A 64 -13.028 3.511 1.448 1.00 0.00 O ATOM 952 CB ALA A 64 -13.062 5.152 -1.392 1.00 0.00 C ATOM 0 H ALA A 64 -11.260 6.710 -0.644 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.732 5.775 0.527 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.783 4.337 -1.461 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.465 6.036 -1.886 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.132 4.856 -1.878 1.00 0.00 H new ATOM 958 N VAL A 65 -10.962 4.022 0.703 1.00 0.00 N ATOM 959 CA VAL A 65 -10.289 2.930 1.402 1.00 0.00 C ATOM 960 C VAL A 65 -10.450 3.091 2.912 1.00 0.00 C ATOM 961 O VAL A 65 -10.618 2.114 3.645 1.00 0.00 O ATOM 962 CB VAL A 65 -8.786 2.887 1.032 1.00 0.00 C ATOM 963 CG1 VAL A 65 -8.024 1.921 1.923 1.00 0.00 C ATOM 964 CG2 VAL A 65 -8.601 2.512 -0.433 1.00 0.00 C ATOM 0 H VAL A 65 -10.338 4.601 0.140 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.749 1.991 1.093 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.380 3.886 1.191 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.972 1.915 1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.115 2.236 2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.437 0.919 1.810 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.538 2.488 -0.671 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.036 1.529 -0.615 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.097 3.250 -1.063 1.00 0.00 H new ATOM 974 N ARG A 66 -10.419 4.339 3.362 1.00 0.00 N ATOM 975 CA ARG A 66 -10.628 4.659 4.768 1.00 0.00 C ATOM 976 C ARG A 66 -11.993 4.168 5.229 1.00 0.00 C ATOM 977 O ARG A 66 -12.146 3.675 6.348 1.00 0.00 O ATOM 978 CB ARG A 66 -10.536 6.166 4.991 1.00 0.00 C ATOM 979 CG ARG A 66 -9.239 6.781 4.501 1.00 0.00 C ATOM 980 CD ARG A 66 -9.175 8.257 4.841 1.00 0.00 C ATOM 981 NE ARG A 66 -9.126 8.472 6.281 1.00 0.00 N ATOM 982 CZ ARG A 66 -9.554 9.570 6.890 1.00 0.00 C ATOM 983 NH1 ARG A 66 -10.205 10.503 6.204 1.00 0.00 N ATOM 984 NH2 ARG A 66 -9.362 9.713 8.192 1.00 0.00 N ATOM 0 H ARG A 66 -10.250 5.151 2.769 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.851 4.160 5.347 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -11.371 6.650 4.484 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -10.646 6.373 6.055 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.393 6.263 4.953 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.154 6.649 3.422 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.295 8.701 4.376 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.045 8.765 4.426 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.736 7.728 6.860 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.377 10.376 5.207 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.533 11.346 6.675 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.887 8.981 8.721 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.689 10.555 8.666 1.00 0.00 H new ATOM 998 N GLN A 67 -12.978 4.290 4.349 1.00 0.00 N ATOM 999 CA GLN A 67 -14.341 3.893 4.662 1.00 0.00 C ATOM 1000 C GLN A 67 -14.423 2.381 4.807 1.00 0.00 C ATOM 1001 O GLN A 67 -15.062 1.880 5.728 1.00 0.00 O ATOM 1002 CB GLN A 67 -15.308 4.375 3.581 1.00 0.00 C ATOM 1003 CG GLN A 67 -15.293 5.881 3.375 1.00 0.00 C ATOM 1004 CD GLN A 67 -16.254 6.334 2.290 1.00 0.00 C ATOM 1005 OE1 GLN A 67 -17.358 5.622 2.140 1.00 0.00 O flip ATOM 1006 NE2 GLN A 67 -16.010 7.327 1.600 1.00 0.00 N flip ATOM 0 H GLN A 67 -12.855 4.663 3.408 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.627 4.356 5.606 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -15.059 3.886 2.639 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.319 4.063 3.845 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -15.551 6.374 4.312 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -14.283 6.198 3.115 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -15.147 7.850 1.746 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -16.672 7.625 0.883 1.00 0.00 H new ATOM 1015 N GLU A 68 -13.732 1.674 3.910 1.00 0.00 N ATOM 1016 CA GLU A 68 -13.687 0.207 3.909 1.00 0.00 C ATOM 1017 C GLU A 68 -13.345 -0.334 5.295 1.00 0.00 C ATOM 1018 O GLU A 68 -13.862 -1.367 5.710 1.00 0.00 O ATOM 1019 CB GLU A 68 -12.627 -0.290 2.925 1.00 0.00 C ATOM 1020 CG GLU A 68 -12.792 0.224 1.509 1.00 0.00 C ATOM 1021 CD GLU A 68 -13.111 -0.876 0.518 1.00 0.00 C ATOM 1022 OE1 GLU A 68 -12.450 -1.935 0.569 1.00 0.00 O ATOM 1023 OE2 GLU A 68 -14.019 -0.691 -0.313 1.00 0.00 O ATOM 0 H GLU A 68 -13.186 2.102 3.162 1.00 0.00 H new ATOM 0 HA GLU A 68 -14.674 -0.149 3.614 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.643 0.003 3.292 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.649 -1.380 2.907 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.589 0.968 1.488 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.876 0.729 1.202 1.00 0.00 H new ATOM 1030 N MET A 69 -12.482 0.389 6.005 1.00 0.00 N ATOM 1031 CA MET A 69 -11.998 -0.039 7.320 1.00 0.00 C ATOM 1032 C MET A 69 -13.141 -0.274 8.296 1.00 0.00 C ATOM 1033 O MET A 69 -13.112 -1.209 9.095 1.00 0.00 O ATOM 1034 CB MET A 69 -11.045 0.991 7.906 1.00 0.00 C ATOM 1035 CG MET A 69 -9.675 0.946 7.280 1.00 0.00 C ATOM 1036 SD MET A 69 -8.480 1.961 8.154 1.00 0.00 S ATOM 1037 CE MET A 69 -6.994 1.347 7.388 1.00 0.00 C ATOM 0 H MET A 69 -12.100 1.281 5.691 1.00 0.00 H new ATOM 0 HA MET A 69 -11.472 -0.982 7.170 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.467 1.987 7.772 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.954 0.825 8.979 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.323 -0.085 7.259 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.742 1.281 6.245 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.342 0.919 8.150 1.00 0.00 H new ATOM 0 HE2 MET A 69 -7.251 0.580 6.658 1.00 0.00 H new ATOM 0 HE3 MET A 69 -6.478 2.166 6.887 1.00 0.00 H new ATOM 1047 N ARG A 70 -14.144 0.581 8.222 1.00 0.00 N ATOM 1048 CA ARG A 70 -15.274 0.513 9.123 1.00 0.00 C ATOM 1049 C ARG A 70 -16.544 0.210 8.344 1.00 0.00 C ATOM 1050 O ARG A 70 -17.649 0.489 8.802 1.00 0.00 O ATOM 1051 CB ARG A 70 -15.417 1.830 9.898 1.00 0.00 C ATOM 1052 CG ARG A 70 -15.580 3.071 9.024 1.00 0.00 C ATOM 1053 CD ARG A 70 -14.240 3.724 8.704 1.00 0.00 C ATOM 1054 NE ARG A 70 -13.586 4.258 9.899 1.00 0.00 N ATOM 1055 CZ ARG A 70 -12.321 4.682 9.936 1.00 0.00 C ATOM 1056 NH1 ARG A 70 -11.551 4.619 8.855 1.00 0.00 N ATOM 1057 NH2 ARG A 70 -11.823 5.175 11.060 1.00 0.00 N ATOM 0 H ARG A 70 -14.196 1.337 7.539 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.106 -0.290 9.840 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -16.279 1.754 10.561 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -14.539 1.961 10.530 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -16.081 2.797 8.095 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -16.222 3.791 9.532 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -13.585 2.993 8.230 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -14.392 4.529 7.985 1.00 0.00 H new ATOM 0 HE ARG A 70 -14.132 4.310 10.759 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.925 4.243 7.984 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.586 4.946 8.897 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.406 5.230 11.895 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.856 5.500 11.090 1.00 0.00 H new ATOM 1203 N VAL B 79 -10.098 -3.422 4.004 1.00 0.00 N ATOM 1204 CA VAL B 79 -9.231 -3.448 2.823 1.00 0.00 C ATOM 1205 C VAL B 79 -8.064 -4.430 2.944 1.00 0.00 C ATOM 1206 O VAL B 79 -7.654 -5.028 1.954 1.00 0.00 O ATOM 1207 CB VAL B 79 -8.631 -2.060 2.538 1.00 0.00 C ATOM 1208 CG1 VAL B 79 -9.262 -1.415 1.326 1.00 0.00 C ATOM 1209 CG2 VAL B 79 -8.756 -1.137 3.740 1.00 0.00 C ATOM 0 HA VAL B 79 -9.882 -3.771 2.011 1.00 0.00 H new ATOM 0 HB VAL B 79 -7.572 -2.217 2.331 1.00 0.00 H new ATOM 0 HG11 VAL B 79 -8.811 -0.437 1.158 1.00 0.00 H new ATOM 0 HG12 VAL B 79 -9.098 -2.045 0.452 1.00 0.00 H new ATOM 0 HG13 VAL B 79 -10.333 -1.297 1.492 1.00 0.00 H new ATOM 0 HG21 VAL B 79 -8.321 -0.167 3.500 1.00 0.00 H new ATOM 0 HG22 VAL B 79 -9.808 -1.010 3.994 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -8.228 -1.571 4.589 1.00 0.00 H new ATOM 1219 N ALA B 80 -7.531 -4.590 4.148 1.00 0.00 N ATOM 1220 CA ALA B 80 -6.295 -5.344 4.357 1.00 0.00 C ATOM 1221 C ALA B 80 -6.338 -6.760 3.772 1.00 0.00 C ATOM 1222 O ALA B 80 -5.382 -7.191 3.126 1.00 0.00 O ATOM 1223 CB ALA B 80 -5.949 -5.367 5.831 1.00 0.00 C ATOM 0 H ALA B 80 -7.936 -4.206 5.002 1.00 0.00 H new ATOM 0 HA ALA B 80 -5.508 -4.827 3.809 1.00 0.00 H new ATOM 0 HB1 ALA B 80 -5.028 -5.930 5.980 1.00 0.00 H new ATOM 0 HB2 ALA B 80 -5.812 -4.346 6.189 1.00 0.00 H new ATOM 0 HB3 ALA B 80 -6.758 -5.841 6.387 1.00 0.00 H new ATOM 1229 N GLN B 81 -7.440 -7.476 3.968 1.00 0.00 N ATOM 1230 CA GLN B 81 -7.560 -8.832 3.425 1.00 0.00 C ATOM 1231 C GLN B 81 -7.664 -8.768 1.904 1.00 0.00 C ATOM 1232 O GLN B 81 -7.144 -9.625 1.183 1.00 0.00 O ATOM 1233 CB GLN B 81 -8.789 -9.553 3.997 1.00 0.00 C ATOM 1234 CG GLN B 81 -10.117 -8.933 3.576 1.00 0.00 C ATOM 1235 CD GLN B 81 -11.325 -9.748 3.994 1.00 0.00 C ATOM 1236 OE1 GLN B 81 -11.161 -11.058 4.092 1.00 0.00 O flip ATOM 1237 NE2 GLN B 81 -12.405 -9.205 4.218 1.00 0.00 N flip ATOM 0 H GLN B 81 -8.254 -7.150 4.490 1.00 0.00 H new ATOM 0 HA GLN B 81 -6.671 -9.394 3.712 1.00 0.00 H new ATOM 0 HB2 GLN B 81 -8.768 -10.595 3.679 1.00 0.00 H new ATOM 0 HB3 GLN B 81 -8.726 -9.551 5.085 1.00 0.00 H new ATOM 0 HG2 GLN B 81 -10.196 -7.935 4.007 1.00 0.00 H new ATOM 0 HG3 GLN B 81 -10.126 -8.814 2.493 1.00 0.00 H new ATOM 0 HE21 GLN B 81 -12.494 -8.193 4.132 1.00 0.00 H new ATOM 0 HE22 GLN B 81 -13.212 -9.767 4.489 1.00 0.00 H new ATOM 1246 N ARG B 82 -8.312 -7.713 1.443 1.00 0.00 N ATOM 1247 CA ARG B 82 -8.546 -7.468 0.033 1.00 0.00 C ATOM 1248 C ARG B 82 -7.250 -7.030 -0.647 1.00 0.00 C ATOM 1249 O ARG B 82 -7.112 -7.101 -1.870 1.00 0.00 O ATOM 1250 CB ARG B 82 -9.631 -6.390 -0.080 1.00 0.00 C ATOM 1251 CG ARG B 82 -9.903 -5.889 -1.484 1.00 0.00 C ATOM 1252 CD ARG B 82 -10.601 -6.926 -2.346 1.00 0.00 C ATOM 1253 NE ARG B 82 -11.120 -6.331 -3.576 1.00 0.00 N ATOM 1254 CZ ARG B 82 -11.095 -6.923 -4.766 1.00 0.00 C ATOM 1255 NH1 ARG B 82 -10.588 -8.140 -4.898 1.00 0.00 N ATOM 1256 NH2 ARG B 82 -11.586 -6.299 -5.827 1.00 0.00 N ATOM 0 H ARG B 82 -8.697 -6.990 2.050 1.00 0.00 H new ATOM 0 HA ARG B 82 -8.880 -8.376 -0.469 1.00 0.00 H new ATOM 0 HB2 ARG B 82 -10.559 -6.787 0.332 1.00 0.00 H new ATOM 0 HB3 ARG B 82 -9.343 -5.542 0.541 1.00 0.00 H new ATOM 0 HG2 ARG B 82 -10.518 -4.990 -1.433 1.00 0.00 H new ATOM 0 HG3 ARG B 82 -8.961 -5.605 -1.954 1.00 0.00 H new ATOM 0 HD2 ARG B 82 -9.903 -7.726 -2.593 1.00 0.00 H new ATOM 0 HD3 ARG B 82 -11.419 -7.378 -1.785 1.00 0.00 H new ATOM 0 HE ARG B 82 -11.529 -5.398 -3.517 1.00 0.00 H new ATOM 0 HH11 ARG B 82 -10.214 -8.628 -4.084 1.00 0.00 H new ATOM 0 HH12 ARG B 82 -10.572 -8.589 -5.814 1.00 0.00 H new ATOM 0 HH21 ARG B 82 -11.983 -5.364 -5.731 1.00 0.00 H new ATOM 0 HH22 ARG B 82 -11.567 -6.753 -6.740 1.00 0.00 H new ATOM 1270 N LEU B 83 -6.282 -6.620 0.163 1.00 0.00 N ATOM 1271 CA LEU B 83 -5.032 -6.098 -0.347 1.00 0.00 C ATOM 1272 C LEU B 83 -4.001 -7.210 -0.427 1.00 0.00 C ATOM 1273 O LEU B 83 -3.205 -7.256 -1.360 1.00 0.00 O ATOM 1274 CB LEU B 83 -4.532 -4.947 0.535 1.00 0.00 C ATOM 1275 CG LEU B 83 -3.219 -4.299 0.086 1.00 0.00 C ATOM 1276 CD1 LEU B 83 -3.268 -3.928 -1.387 1.00 0.00 C ATOM 1277 CD2 LEU B 83 -2.917 -3.065 0.921 1.00 0.00 C ATOM 0 H LEU B 83 -6.345 -6.641 1.181 1.00 0.00 H new ATOM 0 HA LEU B 83 -5.194 -5.705 -1.351 1.00 0.00 H new ATOM 0 HB2 LEU B 83 -5.303 -4.178 0.571 1.00 0.00 H new ATOM 0 HB3 LEU B 83 -4.405 -5.319 1.552 1.00 0.00 H new ATOM 0 HG LEU B 83 -2.422 -5.028 0.232 1.00 0.00 H new ATOM 0 HD11 LEU B 83 -2.323 -3.470 -1.678 1.00 0.00 H new ATOM 0 HD12 LEU B 83 -3.435 -4.825 -1.983 1.00 0.00 H new ATOM 0 HD13 LEU B 83 -4.081 -3.222 -1.558 1.00 0.00 H new ATOM 0 HD21 LEU B 83 -1.980 -2.619 0.586 1.00 0.00 H new ATOM 0 HD22 LEU B 83 -3.724 -2.342 0.806 1.00 0.00 H new ATOM 0 HD23 LEU B 83 -2.830 -3.348 1.970 1.00 0.00 H new ATOM 1289 N MET B 84 -4.038 -8.121 0.544 1.00 0.00 N ATOM 1290 CA MET B 84 -3.158 -9.285 0.525 1.00 0.00 C ATOM 1291 C MET B 84 -3.306 -10.029 -0.794 1.00 0.00 C ATOM 1292 O MET B 84 -2.319 -10.339 -1.466 1.00 0.00 O ATOM 1293 CB MET B 84 -3.488 -10.233 1.674 1.00 0.00 C ATOM 1294 CG MET B 84 -3.290 -9.636 3.051 1.00 0.00 C ATOM 1295 SD MET B 84 -3.780 -10.778 4.354 1.00 0.00 S ATOM 1296 CE MET B 84 -3.430 -9.795 5.803 1.00 0.00 C ATOM 0 H MET B 84 -4.664 -8.075 1.348 1.00 0.00 H new ATOM 0 HA MET B 84 -2.132 -8.935 0.638 1.00 0.00 H new ATOM 0 HB2 MET B 84 -4.524 -10.556 1.577 1.00 0.00 H new ATOM 0 HB3 MET B 84 -2.867 -11.124 1.584 1.00 0.00 H new ATOM 0 HG2 MET B 84 -2.243 -9.364 3.182 1.00 0.00 H new ATOM 0 HG3 MET B 84 -3.871 -8.718 3.136 1.00 0.00 H new ATOM 0 HE1 MET B 84 -3.597 -10.394 6.698 1.00 0.00 H new ATOM 0 HE2 MET B 84 -2.392 -9.464 5.776 1.00 0.00 H new ATOM 0 HE3 MET B 84 -4.088 -8.926 5.821 1.00 0.00 H new ATOM 1306 N GLN B 85 -4.558 -10.283 -1.171 1.00 0.00 N ATOM 1307 CA GLN B 85 -4.855 -10.988 -2.411 1.00 0.00 C ATOM 1308 C GLN B 85 -4.409 -10.167 -3.617 1.00 0.00 C ATOM 1309 O GLN B 85 -3.939 -10.710 -4.615 1.00 0.00 O ATOM 1310 CB GLN B 85 -6.353 -11.280 -2.514 1.00 0.00 C ATOM 1311 CG GLN B 85 -6.930 -12.020 -1.317 1.00 0.00 C ATOM 1312 CD GLN B 85 -8.372 -12.431 -1.541 1.00 0.00 C ATOM 1313 OE1 GLN B 85 -8.777 -12.709 -2.669 1.00 0.00 O ATOM 1314 NE2 GLN B 85 -9.161 -12.467 -0.482 1.00 0.00 N ATOM 0 H GLN B 85 -5.381 -10.010 -0.634 1.00 0.00 H new ATOM 0 HA GLN B 85 -4.307 -11.930 -2.403 1.00 0.00 H new ATOM 0 HB2 GLN B 85 -6.887 -10.338 -2.636 1.00 0.00 H new ATOM 0 HB3 GLN B 85 -6.536 -11.869 -3.413 1.00 0.00 H new ATOM 0 HG2 GLN B 85 -6.328 -12.906 -1.115 1.00 0.00 H new ATOM 0 HG3 GLN B 85 -6.868 -11.384 -0.434 1.00 0.00 H new ATOM 0 HE21 GLN B 85 -8.790 -12.230 0.438 1.00 0.00 H new ATOM 0 HE22 GLN B 85 -10.141 -12.732 -0.585 1.00 0.00 H new ATOM 1323 N HIS B 86 -4.533 -8.849 -3.495 1.00 0.00 N ATOM 1324 CA HIS B 86 -4.237 -7.937 -4.594 1.00 0.00 C ATOM 1325 C HIS B 86 -2.757 -8.003 -4.981 1.00 0.00 C ATOM 1326 O HIS B 86 -2.398 -7.723 -6.124 1.00 0.00 O ATOM 1327 CB HIS B 86 -4.632 -6.504 -4.207 1.00 0.00 C ATOM 1328 CG HIS B 86 -4.727 -5.562 -5.368 1.00 0.00 C ATOM 1329 ND1 HIS B 86 -5.898 -5.348 -6.067 1.00 0.00 N ATOM 1330 CD2 HIS B 86 -3.796 -4.767 -5.949 1.00 0.00 C ATOM 1331 CE1 HIS B 86 -5.681 -4.472 -7.027 1.00 0.00 C ATOM 1332 NE2 HIS B 86 -4.418 -4.107 -6.979 1.00 0.00 N ATOM 0 H HIS B 86 -4.839 -8.386 -2.639 1.00 0.00 H new ATOM 0 HA HIS B 86 -4.821 -8.242 -5.462 1.00 0.00 H new ATOM 0 HB2 HIS B 86 -5.593 -6.529 -3.694 1.00 0.00 H new ATOM 0 HB3 HIS B 86 -3.902 -6.116 -3.497 1.00 0.00 H new ATOM 0 HD2 HIS B 86 -2.761 -4.671 -5.657 1.00 0.00 H new ATOM 0 HE1 HIS B 86 -6.415 -4.114 -7.733 1.00 0.00 H new ATOM 0 HE2 HIS B 86 -3.972 -3.439 -7.608 1.00 0.00 H new ATOM 1341 N LEU B 87 -1.903 -8.362 -4.028 1.00 0.00 N ATOM 1342 CA LEU B 87 -0.480 -8.538 -4.311 1.00 0.00 C ATOM 1343 C LEU B 87 -0.191 -9.961 -4.776 1.00 0.00 C ATOM 1344 O LEU B 87 0.398 -10.175 -5.838 1.00 0.00 O ATOM 1345 CB LEU B 87 0.383 -8.227 -3.079 1.00 0.00 C ATOM 1346 CG LEU B 87 0.681 -6.747 -2.815 1.00 0.00 C ATOM 1347 CD1 LEU B 87 1.132 -6.057 -4.091 1.00 0.00 C ATOM 1348 CD2 LEU B 87 -0.516 -6.040 -2.212 1.00 0.00 C ATOM 0 H LEU B 87 -2.167 -8.536 -3.058 1.00 0.00 H new ATOM 0 HA LEU B 87 -0.225 -7.836 -5.105 1.00 0.00 H new ATOM 0 HB2 LEU B 87 -0.114 -8.638 -2.200 1.00 0.00 H new ATOM 0 HB3 LEU B 87 1.332 -8.754 -3.184 1.00 0.00 H new ATOM 0 HG LEU B 87 1.493 -6.694 -2.090 1.00 0.00 H new ATOM 0 HD11 LEU B 87 1.339 -5.007 -3.883 1.00 0.00 H new ATOM 0 HD12 LEU B 87 2.036 -6.538 -4.465 1.00 0.00 H new ATOM 0 HD13 LEU B 87 0.345 -6.130 -4.842 1.00 0.00 H new ATOM 0 HD21 LEU B 87 -0.270 -4.993 -2.038 1.00 0.00 H new ATOM 0 HD22 LEU B 87 -1.361 -6.105 -2.898 1.00 0.00 H new ATOM 0 HD23 LEU B 87 -0.780 -6.513 -1.266 1.00 0.00 H new ATOM 1360 N ALA B 88 -0.639 -10.923 -3.980 1.00 0.00 N ATOM 1361 CA ALA B 88 -0.309 -12.336 -4.179 1.00 0.00 C ATOM 1362 C ALA B 88 -0.558 -12.820 -5.610 1.00 0.00 C ATOM 1363 O ALA B 88 0.253 -13.562 -6.166 1.00 0.00 O ATOM 1364 CB ALA B 88 -1.095 -13.191 -3.200 1.00 0.00 C ATOM 0 H ALA B 88 -1.242 -10.750 -3.176 1.00 0.00 H new ATOM 0 HA ALA B 88 0.761 -12.437 -3.997 1.00 0.00 H new ATOM 0 HB1 ALA B 88 -0.846 -14.241 -3.352 1.00 0.00 H new ATOM 0 HB2 ALA B 88 -0.842 -12.902 -2.180 1.00 0.00 H new ATOM 0 HB3 ALA B 88 -2.162 -13.044 -3.364 1.00 0.00 H new ATOM 1370 N GLU B 89 -1.661 -12.382 -6.208 1.00 0.00 N ATOM 1371 CA GLU B 89 -2.053 -12.846 -7.541 1.00 0.00 C ATOM 1372 C GLU B 89 -1.020 -12.484 -8.615 1.00 0.00 C ATOM 1373 O GLU B 89 -0.980 -13.107 -9.674 1.00 0.00 O ATOM 1374 CB GLU B 89 -3.406 -12.259 -7.932 1.00 0.00 C ATOM 1375 CG GLU B 89 -4.536 -12.620 -6.981 1.00 0.00 C ATOM 1376 CD GLU B 89 -4.838 -14.104 -6.950 1.00 0.00 C ATOM 1377 OE1 GLU B 89 -5.604 -14.582 -7.820 1.00 0.00 O ATOM 1378 OE2 GLU B 89 -4.332 -14.800 -6.047 1.00 0.00 O ATOM 0 H GLU B 89 -2.302 -11.706 -5.793 1.00 0.00 H new ATOM 0 HA GLU B 89 -2.116 -13.933 -7.487 1.00 0.00 H new ATOM 0 HB2 GLU B 89 -3.319 -11.174 -7.981 1.00 0.00 H new ATOM 0 HB3 GLU B 89 -3.664 -12.603 -8.933 1.00 0.00 H new ATOM 0 HG2 GLU B 89 -4.277 -12.287 -5.976 1.00 0.00 H new ATOM 0 HG3 GLU B 89 -5.436 -12.079 -7.274 1.00 0.00 H new ATOM 1385 N HIS B 90 -0.178 -11.492 -8.343 1.00 0.00 N ATOM 1386 CA HIS B 90 0.759 -11.002 -9.354 1.00 0.00 C ATOM 1387 C HIS B 90 2.177 -11.517 -9.118 1.00 0.00 C ATOM 1388 O HIS B 90 3.110 -11.117 -9.816 1.00 0.00 O ATOM 1389 CB HIS B 90 0.772 -9.471 -9.393 1.00 0.00 C ATOM 1390 CG HIS B 90 -0.538 -8.864 -9.792 1.00 0.00 C ATOM 1391 ND1 HIS B 90 -1.623 -8.544 -9.050 1.00 0.00 N flip ATOM 1392 CD2 HIS B 90 -0.836 -8.499 -11.085 1.00 0.00 C flip ATOM 1393 CE1 HIS B 90 -2.547 -7.998 -9.904 1.00 0.00 C flip ATOM 1394 NE2 HIS B 90 -2.049 -7.981 -11.125 1.00 0.00 N flip ATOM 0 H HIS B 90 -0.123 -11.015 -7.443 1.00 0.00 H new ATOM 0 HA HIS B 90 0.412 -11.385 -10.314 1.00 0.00 H new ATOM 0 HB2 HIS B 90 1.051 -9.094 -8.409 1.00 0.00 H new ATOM 0 HB3 HIS B 90 1.542 -9.141 -10.091 1.00 0.00 H new ATOM 0 HD1 HIS B 90 -1.733 -8.683 -8.045 1.00 0.00 H new ATOM 0 HD2 HIS B 90 -0.180 -8.618 -11.934 1.00 0.00 H new ATOM 0 HE1 HIS B 90 -3.526 -7.639 -9.622 1.00 0.00 H new ATOM 1403 N GLY B 91 2.345 -12.401 -8.141 1.00 0.00 N ATOM 1404 CA GLY B 91 3.668 -12.938 -7.861 1.00 0.00 C ATOM 1405 C GLY B 91 4.540 -11.958 -7.102 1.00 0.00 C ATOM 1406 O GLY B 91 5.766 -12.070 -7.102 1.00 0.00 O ATOM 0 H GLY B 91 1.599 -12.754 -7.542 1.00 0.00 H new ATOM 0 HA2 GLY B 91 3.569 -13.856 -7.282 1.00 0.00 H new ATOM 0 HA3 GLY B 91 4.156 -13.203 -8.799 1.00 0.00 H new ATOM 1410 N ILE B 92 3.887 -11.002 -6.462 1.00 0.00 N ATOM 1411 CA ILE B 92 4.545 -9.981 -5.654 1.00 0.00 C ATOM 1412 C ILE B 92 5.361 -10.617 -4.532 1.00 0.00 C ATOM 1413 O ILE B 92 5.005 -11.684 -4.024 1.00 0.00 O ATOM 1414 CB ILE B 92 3.481 -9.048 -5.066 1.00 0.00 C ATOM 1415 CG1 ILE B 92 2.775 -8.332 -6.208 1.00 0.00 C ATOM 1416 CG2 ILE B 92 4.078 -8.056 -4.083 1.00 0.00 C ATOM 1417 CD1 ILE B 92 3.703 -7.541 -7.094 1.00 0.00 C ATOM 0 H ILE B 92 2.872 -10.910 -6.488 1.00 0.00 H new ATOM 0 HA ILE B 92 5.228 -9.413 -6.286 1.00 0.00 H new ATOM 0 HB ILE B 92 2.761 -9.643 -4.504 1.00 0.00 H new ATOM 0 HG12 ILE B 92 2.247 -9.068 -6.815 1.00 0.00 H new ATOM 0 HG13 ILE B 92 2.022 -7.661 -5.794 1.00 0.00 H new ATOM 0 HG21 ILE B 92 3.290 -7.414 -3.690 1.00 0.00 H new ATOM 0 HG22 ILE B 92 4.549 -8.596 -3.262 1.00 0.00 H new ATOM 0 HG23 ILE B 92 4.824 -7.445 -4.591 1.00 0.00 H new ATOM 0 HD11 ILE B 92 3.128 -7.059 -7.885 1.00 0.00 H new ATOM 0 HD12 ILE B 92 4.213 -6.781 -6.501 1.00 0.00 H new ATOM 0 HD13 ILE B 92 4.440 -8.210 -7.538 1.00 0.00 H new ATOM 1429 N GLN B 93 6.452 -9.965 -4.157 1.00 0.00 N ATOM 1430 CA GLN B 93 7.337 -10.491 -3.132 1.00 0.00 C ATOM 1431 C GLN B 93 6.722 -10.298 -1.752 1.00 0.00 C ATOM 1432 O GLN B 93 6.174 -9.235 -1.448 1.00 0.00 O ATOM 1433 CB GLN B 93 8.711 -9.803 -3.179 1.00 0.00 C ATOM 1434 CG GLN B 93 9.488 -10.006 -4.475 1.00 0.00 C ATOM 1435 CD GLN B 93 8.891 -9.249 -5.644 1.00 0.00 C ATOM 1436 OE1 GLN B 93 8.249 -8.218 -5.462 1.00 0.00 O ATOM 1437 NE2 GLN B 93 9.109 -9.745 -6.848 1.00 0.00 N ATOM 0 H GLN B 93 6.744 -9.070 -4.549 1.00 0.00 H new ATOM 0 HA GLN B 93 7.472 -11.555 -3.325 1.00 0.00 H new ATOM 0 HB2 GLN B 93 8.571 -8.734 -3.020 1.00 0.00 H new ATOM 0 HB3 GLN B 93 9.314 -10.172 -2.349 1.00 0.00 H new ATOM 0 HG2 GLN B 93 10.519 -9.685 -4.329 1.00 0.00 H new ATOM 0 HG3 GLN B 93 9.516 -11.069 -4.713 1.00 0.00 H new ATOM 0 HE21 GLN B 93 9.648 -10.604 -6.956 1.00 0.00 H new ATOM 0 HE22 GLN B 93 8.739 -9.269 -7.670 1.00 0.00 H new