USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=12 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= 0.822 K(o=1.9,f=0.22) USER MOD Set 1.2: B 85 GLN : amide:sc= 1.06 K(o=1.9,f=0.22) USER MOD Set 2.1: A 23 ASN : amide:sc= 1.2 K(o=1.5,f=0.28) USER MOD Set 2.2: A 24 ASN :FLIP amide:sc= 0.344 F(o=-0.047,f=1.5) USER MOD Single : A 17 GLN : amide:sc= -0.0278 K(o=-0.028,f=-1.3!) USER MOD Single : A 18 ASN : amide:sc= 1.25 K(o=1.2,f=-0.11) 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= 0.199 USER MOD Single : A 42 GLN : amide:sc= -0.704 K(o=-0.7,f=-2.1!) USER MOD Single : A 44 THR OG1 : rot 11:sc= 0.879 USER MOD Single : A 48 THR OG1 : rot 169:sc= -0.175 USER MOD Single : A 49 SER OG : rot -65:sc= 0.799 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= -0.287 K(o=-0.29,f=-1.5!) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 69 MET CE :methyl -117:sc= -3.01 (180deg=-3.92!) USER MOD Single : B 84 MET CE :methyl -174:sc= 0 (180deg=-0.0747) USER MOD Single : B 86 HIS :FLIP no HD1:sc= -0.877 F(o=-1.7,f=-0.88) USER MOD Single : B 90 HIS :FLIP no HE2:sc= 0.5 F(o=-1.6!,f=0.5) USER MOD Single : B 93 GLN : amide:sc= -0.311 X(o=-0.31,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 168 N VAL A 12 -0.572 10.414 -4.370 1.00 0.00 N ATOM 169 CA VAL A 12 -0.694 9.649 -3.122 1.00 0.00 C ATOM 170 C VAL A 12 0.528 9.791 -2.194 1.00 0.00 C ATOM 171 O VAL A 12 0.422 9.597 -0.983 1.00 0.00 O ATOM 172 CB VAL A 12 -0.947 8.153 -3.433 1.00 0.00 C ATOM 173 CG1 VAL A 12 -1.157 7.335 -2.163 1.00 0.00 C ATOM 174 CG2 VAL A 12 -2.136 8.000 -4.376 1.00 0.00 C ATOM 0 HA VAL A 12 -1.545 10.070 -2.587 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.055 7.764 -3.924 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.331 6.292 -2.427 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.270 7.407 -1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.020 7.721 -1.620 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.301 6.943 -4.585 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.027 8.421 -3.910 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.931 8.526 -5.308 1.00 0.00 H new ATOM 184 N GLY A 13 1.666 10.164 -2.754 1.00 0.00 N ATOM 185 CA GLY A 13 2.905 10.148 -2.003 1.00 0.00 C ATOM 186 C GLY A 13 3.703 8.906 -2.331 1.00 0.00 C ATOM 187 O GLY A 13 4.588 8.491 -1.581 1.00 0.00 O ATOM 0 H GLY A 13 1.756 10.479 -3.720 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.491 11.037 -2.237 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.691 10.179 -0.935 1.00 0.00 H new ATOM 191 N TRP A 14 3.363 8.315 -3.470 1.00 0.00 N ATOM 192 CA TRP A 14 3.973 7.082 -3.938 1.00 0.00 C ATOM 193 C TRP A 14 4.880 7.356 -5.133 1.00 0.00 C ATOM 194 O TRP A 14 4.554 8.175 -5.995 1.00 0.00 O ATOM 195 CB TRP A 14 2.858 6.091 -4.313 1.00 0.00 C ATOM 196 CG TRP A 14 3.302 4.936 -5.159 1.00 0.00 C ATOM 197 CD1 TRP A 14 3.869 3.769 -4.736 1.00 0.00 C ATOM 198 CD2 TRP A 14 3.191 4.835 -6.584 1.00 0.00 C ATOM 199 NE1 TRP A 14 4.124 2.953 -5.811 1.00 0.00 N ATOM 200 CE2 TRP A 14 3.714 3.585 -6.955 1.00 0.00 C ATOM 201 CE3 TRP A 14 2.699 5.684 -7.583 1.00 0.00 C ATOM 202 CZ2 TRP A 14 3.762 3.164 -8.280 1.00 0.00 C ATOM 203 CZ3 TRP A 14 2.748 5.264 -8.897 1.00 0.00 C ATOM 204 CH2 TRP A 14 3.274 4.012 -9.236 1.00 0.00 C ATOM 0 H TRP A 14 2.649 8.684 -4.099 1.00 0.00 H new ATOM 0 HA TRP A 14 4.589 6.652 -3.148 1.00 0.00 H new ATOM 0 HB2 TRP A 14 2.413 5.702 -3.397 1.00 0.00 H new ATOM 0 HB3 TRP A 14 2.074 6.632 -4.843 1.00 0.00 H new ATOM 0 HD1 TRP A 14 4.085 3.523 -3.707 1.00 0.00 H new ATOM 0 HE1 TRP A 14 4.549 2.027 -5.765 1.00 0.00 H new ATOM 0 HE3 TRP A 14 2.288 6.650 -7.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.171 2.200 -8.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 2.374 5.912 -9.676 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.295 3.710 -10.273 1.00 0.00 H new ATOM 215 N ASP A 15 6.028 6.700 -5.161 1.00 0.00 N ATOM 216 CA ASP A 15 6.931 6.783 -6.299 1.00 0.00 C ATOM 217 C ASP A 15 6.953 5.443 -7.021 1.00 0.00 C ATOM 218 O ASP A 15 6.993 4.401 -6.370 1.00 0.00 O ATOM 219 CB ASP A 15 8.342 7.156 -5.847 1.00 0.00 C ATOM 220 CG ASP A 15 9.260 7.508 -7.001 1.00 0.00 C ATOM 221 OD1 ASP A 15 9.890 6.590 -7.564 1.00 0.00 O ATOM 222 OD2 ASP A 15 9.356 8.703 -7.353 1.00 0.00 O ATOM 0 H ASP A 15 6.359 6.101 -4.405 1.00 0.00 H new ATOM 0 HA ASP A 15 6.575 7.560 -6.976 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.286 8.003 -5.163 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.771 6.323 -5.290 1.00 0.00 H new ATOM 227 N PRO A 16 6.934 5.472 -8.366 1.00 0.00 N ATOM 228 CA PRO A 16 6.834 4.296 -9.236 1.00 0.00 C ATOM 229 C PRO A 16 7.414 3.003 -8.651 1.00 0.00 C ATOM 230 O PRO A 16 6.667 2.109 -8.258 1.00 0.00 O ATOM 231 CB PRO A 16 7.618 4.740 -10.466 1.00 0.00 C ATOM 232 CG PRO A 16 7.408 6.219 -10.548 1.00 0.00 C ATOM 233 CD PRO A 16 7.019 6.700 -9.166 1.00 0.00 C ATOM 0 HA PRO A 16 5.794 4.025 -9.418 1.00 0.00 H new ATOM 0 HB2 PRO A 16 8.676 4.497 -10.368 1.00 0.00 H new ATOM 0 HB3 PRO A 16 7.258 4.240 -11.365 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.317 6.717 -10.886 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.627 6.456 -11.271 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.761 7.388 -8.761 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.067 7.231 -9.183 1.00 0.00 H new ATOM 241 N GLN A 17 8.735 2.884 -8.616 1.00 0.00 N ATOM 242 CA GLN A 17 9.354 1.676 -8.089 1.00 0.00 C ATOM 243 C GLN A 17 9.970 1.889 -6.708 1.00 0.00 C ATOM 244 O GLN A 17 10.523 0.957 -6.125 1.00 0.00 O ATOM 245 CB GLN A 17 10.385 1.121 -9.062 1.00 0.00 C ATOM 246 CG GLN A 17 9.776 0.672 -10.381 1.00 0.00 C ATOM 247 CD GLN A 17 10.705 -0.206 -11.194 1.00 0.00 C ATOM 248 OE1 GLN A 17 11.543 -0.923 -10.647 1.00 0.00 O ATOM 249 NE2 GLN A 17 10.550 -0.178 -12.507 1.00 0.00 N ATOM 0 H GLN A 17 9.389 3.596 -8.940 1.00 0.00 H new ATOM 0 HA GLN A 17 8.557 0.941 -7.971 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.139 1.883 -9.257 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.897 0.277 -8.599 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.853 0.128 -10.182 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.508 1.550 -10.969 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.845 0.429 -12.924 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.136 -0.764 -13.102 1.00 0.00 H new ATOM 258 N ASN A 18 9.884 3.109 -6.184 1.00 0.00 N ATOM 259 CA ASN A 18 10.443 3.402 -4.862 1.00 0.00 C ATOM 260 C ASN A 18 9.414 3.178 -3.767 1.00 0.00 C ATOM 261 O ASN A 18 9.763 3.023 -2.598 1.00 0.00 O ATOM 262 CB ASN A 18 10.987 4.829 -4.775 1.00 0.00 C ATOM 263 CG ASN A 18 12.291 5.001 -5.531 1.00 0.00 C ATOM 264 OD1 ASN A 18 13.371 4.764 -4.993 1.00 0.00 O ATOM 265 ND2 ASN A 18 12.202 5.445 -6.771 1.00 0.00 N ATOM 0 H ASN A 18 9.439 3.903 -6.645 1.00 0.00 H new ATOM 0 HA ASN A 18 11.273 2.711 -4.715 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.246 5.522 -5.173 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.140 5.093 -3.729 1.00 0.00 H new ATOM 0 HD21 ASN A 18 13.048 5.603 -7.318 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.287 5.630 -7.182 1.00 0.00 H new ATOM 272 N GLY A 19 8.144 3.173 -4.142 1.00 0.00 N ATOM 273 CA GLY A 19 7.101 2.857 -3.198 1.00 0.00 C ATOM 274 C GLY A 19 6.536 4.072 -2.497 1.00 0.00 C ATOM 275 O GLY A 19 6.718 5.207 -2.940 1.00 0.00 O ATOM 0 H GLY A 19 7.820 3.383 -5.086 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.295 2.340 -3.718 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.494 2.166 -2.452 1.00 0.00 H new ATOM 279 N PHE A 20 5.834 3.824 -1.404 1.00 0.00 N ATOM 280 CA PHE A 20 5.232 4.888 -0.615 1.00 0.00 C ATOM 281 C PHE A 20 6.249 5.445 0.362 1.00 0.00 C ATOM 282 O PHE A 20 7.085 4.708 0.878 1.00 0.00 O ATOM 283 CB PHE A 20 4.024 4.364 0.166 1.00 0.00 C ATOM 284 CG PHE A 20 2.880 3.916 -0.694 1.00 0.00 C ATOM 285 CD1 PHE A 20 2.924 2.698 -1.352 1.00 0.00 C ATOM 286 CD2 PHE A 20 1.759 4.714 -0.842 1.00 0.00 C ATOM 287 CE1 PHE A 20 1.870 2.286 -2.141 1.00 0.00 C ATOM 288 CE2 PHE A 20 0.701 4.308 -1.629 1.00 0.00 C ATOM 289 CZ PHE A 20 0.758 3.093 -2.282 1.00 0.00 C ATOM 0 H PHE A 20 5.665 2.886 -1.040 1.00 0.00 H new ATOM 0 HA PHE A 20 4.903 5.673 -1.296 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.344 3.529 0.789 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.673 5.147 0.838 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.792 2.064 -1.246 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.712 5.666 -0.335 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.914 1.333 -2.648 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.169 4.939 -1.734 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.066 2.774 -2.903 1.00 0.00 H new ATOM 299 N ASP A 21 6.178 6.738 0.626 1.00 0.00 N ATOM 300 CA ASP A 21 7.072 7.343 1.600 1.00 0.00 C ATOM 301 C ASP A 21 6.620 6.953 2.998 1.00 0.00 C ATOM 302 O ASP A 21 5.636 7.482 3.516 1.00 0.00 O ATOM 303 CB ASP A 21 7.105 8.864 1.459 1.00 0.00 C ATOM 304 CG ASP A 21 8.145 9.495 2.366 1.00 0.00 C ATOM 305 OD1 ASP A 21 7.923 9.539 3.592 1.00 0.00 O ATOM 306 OD2 ASP A 21 9.190 9.949 1.857 1.00 0.00 O ATOM 0 H ASP A 21 5.521 7.382 0.187 1.00 0.00 H new ATOM 0 HA ASP A 21 8.083 6.977 1.421 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.319 9.128 0.423 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.122 9.272 1.695 1.00 0.00 H new ATOM 311 N VAL A 22 7.338 6.012 3.594 1.00 0.00 N ATOM 312 CA VAL A 22 6.974 5.459 4.893 1.00 0.00 C ATOM 313 C VAL A 22 7.215 6.446 6.035 1.00 0.00 C ATOM 314 O VAL A 22 6.863 6.172 7.182 1.00 0.00 O ATOM 315 CB VAL A 22 7.739 4.151 5.175 1.00 0.00 C ATOM 316 CG1 VAL A 22 7.268 3.047 4.242 1.00 0.00 C ATOM 317 CG2 VAL A 22 9.241 4.352 5.031 1.00 0.00 C ATOM 0 H VAL A 22 8.186 5.611 3.194 1.00 0.00 H new ATOM 0 HA VAL A 22 5.905 5.250 4.847 1.00 0.00 H new ATOM 0 HB VAL A 22 7.531 3.857 6.204 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.819 2.131 4.455 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.203 2.873 4.393 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.445 3.344 3.208 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.755 3.413 5.236 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.469 4.677 4.016 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.576 5.111 5.738 1.00 0.00 H new ATOM 327 N ASN A 23 7.794 7.594 5.717 1.00 0.00 N ATOM 328 CA ASN A 23 8.070 8.608 6.722 1.00 0.00 C ATOM 329 C ASN A 23 6.847 9.501 6.936 1.00 0.00 C ATOM 330 O ASN A 23 6.505 9.830 8.073 1.00 0.00 O ATOM 331 CB ASN A 23 9.315 9.421 6.328 1.00 0.00 C ATOM 332 CG ASN A 23 9.112 10.923 6.404 1.00 0.00 C ATOM 333 OD1 ASN A 23 9.326 11.545 7.444 1.00 0.00 O ATOM 334 ND2 ASN A 23 8.708 11.511 5.292 1.00 0.00 N ATOM 0 H ASN A 23 8.081 7.846 4.771 1.00 0.00 H new ATOM 0 HA ASN A 23 8.282 8.119 7.673 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.142 9.142 6.981 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.606 9.154 5.312 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.561 12.520 5.273 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.543 10.956 4.453 1.00 0.00 H new ATOM 341 N ASN A 24 6.166 9.869 5.852 1.00 0.00 N ATOM 342 CA ASN A 24 4.959 10.684 5.968 1.00 0.00 C ATOM 343 C ASN A 24 3.715 9.884 5.600 1.00 0.00 C ATOM 344 O ASN A 24 2.756 10.417 5.036 1.00 0.00 O ATOM 345 CB ASN A 24 5.037 11.969 5.122 1.00 0.00 C ATOM 346 CG ASN A 24 5.303 11.735 3.643 1.00 0.00 C ATOM 347 OD1 ASN A 24 6.508 12.051 3.207 1.00 0.00 O flip ATOM 348 ND2 ASN A 24 4.414 11.338 2.888 1.00 0.00 N flip ATOM 0 H ASN A 24 6.424 9.620 4.897 1.00 0.00 H new ATOM 0 HA ASN A 24 4.886 10.983 7.014 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.100 12.516 5.228 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.825 12.606 5.524 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.495 11.103 3.262 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.598 11.244 1.889 1.00 0.00 H new ATOM 355 N LEU A 25 3.721 8.603 5.948 1.00 0.00 N ATOM 356 CA LEU A 25 2.568 7.743 5.718 1.00 0.00 C ATOM 357 C LEU A 25 1.378 8.198 6.552 1.00 0.00 C ATOM 358 O LEU A 25 1.514 8.498 7.740 1.00 0.00 O ATOM 359 CB LEU A 25 2.895 6.292 6.071 1.00 0.00 C ATOM 360 CG LEU A 25 3.505 5.458 4.952 1.00 0.00 C ATOM 361 CD1 LEU A 25 3.883 4.086 5.477 1.00 0.00 C ATOM 362 CD2 LEU A 25 2.534 5.326 3.792 1.00 0.00 C ATOM 0 H LEU A 25 4.513 8.137 6.391 1.00 0.00 H new ATOM 0 HA LEU A 25 2.315 7.811 4.660 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.583 6.290 6.916 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.979 5.804 6.404 1.00 0.00 H new ATOM 0 HG LEU A 25 4.402 5.962 4.592 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.319 3.495 4.671 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.610 4.192 6.283 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.993 3.583 5.855 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.989 4.727 3.003 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.621 4.841 4.136 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.295 6.316 3.403 1.00 0.00 H new ATOM 374 N ASP A 26 0.221 8.269 5.915 1.00 0.00 N ATOM 375 CA ASP A 26 -1.025 8.553 6.612 1.00 0.00 C ATOM 376 C ASP A 26 -1.350 7.411 7.569 1.00 0.00 C ATOM 377 O ASP A 26 -1.235 6.241 7.213 1.00 0.00 O ATOM 378 CB ASP A 26 -2.161 8.726 5.606 1.00 0.00 C ATOM 379 CG ASP A 26 -3.512 8.818 6.280 1.00 0.00 C ATOM 380 OD1 ASP A 26 -3.887 9.929 6.707 1.00 0.00 O ATOM 381 OD2 ASP A 26 -4.196 7.778 6.388 1.00 0.00 O ATOM 0 H ASP A 26 0.117 8.133 4.909 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.913 9.477 7.179 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.989 9.627 5.017 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.160 7.886 4.911 1.00 0.00 H new ATOM 386 N PRO A 27 -1.727 7.766 8.811 1.00 0.00 N ATOM 387 CA PRO A 27 -2.025 6.811 9.893 1.00 0.00 C ATOM 388 C PRO A 27 -2.979 5.685 9.494 1.00 0.00 C ATOM 389 O PRO A 27 -2.839 4.561 9.976 1.00 0.00 O ATOM 390 CB PRO A 27 -2.668 7.692 10.962 1.00 0.00 C ATOM 391 CG PRO A 27 -2.058 9.029 10.751 1.00 0.00 C ATOM 392 CD PRO A 27 -1.870 9.160 9.268 1.00 0.00 C ATOM 0 HA PRO A 27 -1.122 6.288 10.209 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.752 7.727 10.850 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.463 7.315 11.964 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.703 9.819 11.135 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.106 9.112 11.275 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.722 9.650 8.798 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.988 9.753 9.027 1.00 0.00 H new ATOM 400 N ASP A 28 -3.943 5.977 8.627 1.00 0.00 N ATOM 401 CA ASP A 28 -4.896 4.957 8.200 1.00 0.00 C ATOM 402 C ASP A 28 -4.278 4.068 7.130 1.00 0.00 C ATOM 403 O ASP A 28 -4.449 2.848 7.158 1.00 0.00 O ATOM 404 CB ASP A 28 -6.209 5.576 7.708 1.00 0.00 C ATOM 405 CG ASP A 28 -7.140 5.958 8.849 1.00 0.00 C ATOM 406 OD1 ASP A 28 -7.755 5.057 9.460 1.00 0.00 O ATOM 407 OD2 ASP A 28 -7.259 7.161 9.151 1.00 0.00 O ATOM 0 H ASP A 28 -4.085 6.897 8.211 1.00 0.00 H new ATOM 0 HA ASP A 28 -5.136 4.342 9.067 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.988 6.462 7.112 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.716 4.869 7.052 1.00 0.00 H new ATOM 412 N LEU A 29 -3.540 4.672 6.199 1.00 0.00 N ATOM 413 CA LEU A 29 -2.769 3.898 5.232 1.00 0.00 C ATOM 414 C LEU A 29 -1.771 3.010 5.967 1.00 0.00 C ATOM 415 O LEU A 29 -1.668 1.813 5.699 1.00 0.00 O ATOM 416 CB LEU A 29 -2.007 4.818 4.277 1.00 0.00 C ATOM 417 CG LEU A 29 -2.859 5.690 3.355 1.00 0.00 C ATOM 418 CD1 LEU A 29 -1.963 6.639 2.578 1.00 0.00 C ATOM 419 CD2 LEU A 29 -3.678 4.834 2.398 1.00 0.00 C ATOM 0 H LEU A 29 -3.461 5.684 6.096 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.463 3.287 4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.366 5.471 4.869 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.353 4.203 3.659 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.553 6.268 3.966 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.573 7.260 1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.416 7.275 3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.256 6.064 1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.275 5.479 1.753 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.008 4.229 1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.338 4.180 2.968 1.00 0.00 H new ATOM 431 N ARG A 30 -1.053 3.623 6.903 1.00 0.00 N ATOM 432 CA ARG A 30 -0.071 2.940 7.738 1.00 0.00 C ATOM 433 C ARG A 30 -0.689 1.725 8.419 1.00 0.00 C ATOM 434 O ARG A 30 -0.131 0.627 8.379 1.00 0.00 O ATOM 435 CB ARG A 30 0.460 3.914 8.795 1.00 0.00 C ATOM 436 CG ARG A 30 1.480 3.315 9.748 1.00 0.00 C ATOM 437 CD ARG A 30 2.807 3.047 9.061 1.00 0.00 C ATOM 438 NE ARG A 30 3.809 2.548 9.999 1.00 0.00 N ATOM 439 CZ ARG A 30 5.122 2.702 9.838 1.00 0.00 C ATOM 440 NH1 ARG A 30 5.601 3.323 8.767 1.00 0.00 N ATOM 441 NH2 ARG A 30 5.963 2.241 10.757 1.00 0.00 N ATOM 0 H ARG A 30 -1.138 4.619 7.105 1.00 0.00 H new ATOM 0 HA ARG A 30 0.748 2.597 7.106 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.911 4.768 8.290 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.381 4.295 9.375 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.636 3.994 10.587 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.090 2.384 10.160 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.663 2.320 8.262 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.168 3.964 8.596 1.00 0.00 H new ATOM 0 HE ARG A 30 3.483 2.051 10.828 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.962 3.686 8.060 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.608 3.437 8.651 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.603 1.769 11.586 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.969 2.359 10.633 1.00 0.00 H new ATOM 455 N SER A 31 -1.848 1.935 9.034 1.00 0.00 N ATOM 456 CA SER A 31 -2.549 0.871 9.731 1.00 0.00 C ATOM 457 C SER A 31 -2.916 -0.240 8.758 1.00 0.00 C ATOM 458 O SER A 31 -2.657 -1.412 9.019 1.00 0.00 O ATOM 459 CB SER A 31 -3.819 1.414 10.391 1.00 0.00 C ATOM 460 OG SER A 31 -4.264 0.571 11.444 1.00 0.00 O ATOM 0 H SER A 31 -2.321 2.838 9.062 1.00 0.00 H new ATOM 0 HA SER A 31 -1.890 0.471 10.502 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.628 2.414 10.781 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.606 1.509 9.643 1.00 0.00 H new ATOM 0 HG SER A 31 -5.075 0.948 11.844 1.00 0.00 H new ATOM 466 N LEU A 32 -3.495 0.139 7.623 1.00 0.00 N ATOM 467 CA LEU A 32 -3.991 -0.831 6.666 1.00 0.00 C ATOM 468 C LEU A 32 -2.885 -1.687 6.098 1.00 0.00 C ATOM 469 O LEU A 32 -2.958 -2.907 6.147 1.00 0.00 O ATOM 470 CB LEU A 32 -4.693 -0.160 5.503 1.00 0.00 C ATOM 471 CG LEU A 32 -5.188 -1.158 4.465 1.00 0.00 C ATOM 472 CD1 LEU A 32 -6.259 -2.048 5.061 1.00 0.00 C ATOM 473 CD2 LEU A 32 -5.694 -0.463 3.222 1.00 0.00 C ATOM 0 H LEU A 32 -3.630 1.112 7.348 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.692 -1.455 7.221 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.538 0.418 5.878 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.010 0.544 5.028 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.344 -1.780 4.167 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.604 -2.757 4.308 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.848 -2.593 5.911 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.097 -1.436 5.394 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.039 -1.207 2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.520 0.197 3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.888 0.123 2.779 1.00 0.00 H new ATOM 485 N PHE A 33 -1.880 -1.040 5.536 1.00 0.00 N ATOM 486 CA PHE A 33 -0.818 -1.748 4.839 1.00 0.00 C ATOM 487 C PHE A 33 -0.155 -2.748 5.774 1.00 0.00 C ATOM 488 O PHE A 33 0.022 -3.913 5.422 1.00 0.00 O ATOM 489 CB PHE A 33 0.208 -0.762 4.275 1.00 0.00 C ATOM 490 CG PHE A 33 -0.371 0.238 3.305 1.00 0.00 C ATOM 491 CD1 PHE A 33 -1.480 -0.093 2.536 1.00 0.00 C ATOM 492 CD2 PHE A 33 0.180 1.513 3.164 1.00 0.00 C ATOM 493 CE1 PHE A 33 -2.025 0.817 1.650 1.00 0.00 C ATOM 494 CE2 PHE A 33 -0.367 2.420 2.278 1.00 0.00 C ATOM 495 CZ PHE A 33 -1.412 2.093 1.511 1.00 0.00 C ATOM 0 H PHE A 33 -1.776 -0.025 5.548 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.252 -2.295 4.002 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.672 -0.224 5.102 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.998 -1.322 3.775 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.922 -1.074 2.632 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.041 1.792 3.753 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.902 0.563 1.073 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.057 3.411 2.203 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.791 2.798 0.786 1.00 0.00 H new ATOM 505 N SER A 34 0.151 -2.297 6.981 1.00 0.00 N ATOM 506 CA SER A 34 0.744 -3.153 7.996 1.00 0.00 C ATOM 507 C SER A 34 -0.206 -4.299 8.362 1.00 0.00 C ATOM 508 O SER A 34 0.227 -5.418 8.636 1.00 0.00 O ATOM 509 CB SER A 34 1.086 -2.315 9.228 1.00 0.00 C ATOM 510 OG SER A 34 1.610 -3.111 10.278 1.00 0.00 O ATOM 0 H SER A 34 -0.003 -1.335 7.283 1.00 0.00 H new ATOM 0 HA SER A 34 1.659 -3.596 7.602 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.812 -1.549 8.956 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.192 -1.798 9.576 1.00 0.00 H new ATOM 0 HG SER A 34 1.818 -2.541 11.048 1.00 0.00 H new ATOM 516 N ARG A 35 -1.502 -4.016 8.332 1.00 0.00 N ATOM 517 CA ARG A 35 -2.525 -4.994 8.661 1.00 0.00 C ATOM 518 C ARG A 35 -2.725 -5.974 7.505 1.00 0.00 C ATOM 519 O ARG A 35 -3.095 -7.132 7.706 1.00 0.00 O ATOM 520 CB ARG A 35 -3.829 -4.260 8.956 1.00 0.00 C ATOM 521 CG ARG A 35 -4.855 -5.097 9.677 1.00 0.00 C ATOM 522 CD ARG A 35 -6.155 -4.328 9.833 1.00 0.00 C ATOM 523 NE ARG A 35 -7.152 -5.062 10.606 1.00 0.00 N ATOM 524 CZ ARG A 35 -8.442 -5.122 10.273 1.00 0.00 C ATOM 525 NH1 ARG A 35 -8.866 -4.540 9.163 1.00 0.00 N ATOM 526 NH2 ARG A 35 -9.306 -5.778 11.041 1.00 0.00 N ATOM 0 H ARG A 35 -1.872 -3.100 8.078 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.212 -5.563 9.536 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.609 -3.377 9.556 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.257 -3.909 8.017 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.035 -6.019 9.123 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -4.475 -5.383 10.658 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.952 -3.374 10.321 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.560 -4.102 8.847 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.846 -5.555 11.445 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.206 -4.046 8.562 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.853 -4.586 8.908 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.984 -6.240 11.892 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.291 -5.820 10.780 1.00 0.00 H new ATOM 540 N ALA A 36 -2.463 -5.498 6.296 1.00 0.00 N ATOM 541 CA ALA A 36 -2.647 -6.288 5.088 1.00 0.00 C ATOM 542 C ALA A 36 -1.433 -7.175 4.818 1.00 0.00 C ATOM 543 O ALA A 36 -1.468 -8.043 3.947 1.00 0.00 O ATOM 544 CB ALA A 36 -2.912 -5.363 3.907 1.00 0.00 C ATOM 0 H ALA A 36 -2.117 -4.554 6.125 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.507 -6.943 5.228 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.049 -5.957 3.003 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.812 -4.778 4.097 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.064 -4.691 3.774 1.00 0.00 H new ATOM 550 N GLY A 37 -0.362 -6.946 5.562 1.00 0.00 N ATOM 551 CA GLY A 37 0.829 -7.759 5.413 1.00 0.00 C ATOM 552 C GLY A 37 1.994 -6.971 4.854 1.00 0.00 C ATOM 553 O GLY A 37 3.147 -7.381 4.983 1.00 0.00 O ATOM 0 H GLY A 37 -0.295 -6.212 6.267 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.106 -8.175 6.382 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.612 -8.600 4.754 1.00 0.00 H new ATOM 557 N ILE A 38 1.686 -5.832 4.245 1.00 0.00 N ATOM 558 CA ILE A 38 2.700 -4.971 3.655 1.00 0.00 C ATOM 559 C ILE A 38 3.501 -4.273 4.757 1.00 0.00 C ATOM 560 O ILE A 38 2.935 -3.560 5.585 1.00 0.00 O ATOM 561 CB ILE A 38 2.089 -3.882 2.736 1.00 0.00 C ATOM 562 CG1 ILE A 38 1.218 -4.475 1.616 1.00 0.00 C ATOM 563 CG2 ILE A 38 3.197 -3.038 2.132 1.00 0.00 C ATOM 564 CD1 ILE A 38 -0.180 -4.858 2.050 1.00 0.00 C ATOM 0 H ILE A 38 0.733 -5.482 4.147 1.00 0.00 H new ATOM 0 HA ILE A 38 3.343 -5.613 3.052 1.00 0.00 H new ATOM 0 HB ILE A 38 1.441 -3.263 3.356 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.148 -3.751 0.804 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.715 -5.358 1.214 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.762 -2.274 1.487 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.765 -2.559 2.929 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.860 -3.674 1.545 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.726 -5.267 1.200 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.123 -5.607 2.840 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.700 -3.976 2.424 1.00 0.00 H new ATOM 576 N SER A 39 4.809 -4.481 4.779 1.00 0.00 N ATOM 577 CA SER A 39 5.659 -3.806 5.752 1.00 0.00 C ATOM 578 C SER A 39 6.200 -2.512 5.156 1.00 0.00 C ATOM 579 O SER A 39 5.930 -2.215 3.995 1.00 0.00 O ATOM 580 CB SER A 39 6.815 -4.713 6.176 1.00 0.00 C ATOM 581 OG SER A 39 7.751 -4.888 5.122 1.00 0.00 O ATOM 0 H SER A 39 5.303 -5.105 4.141 1.00 0.00 H new ATOM 0 HA SER A 39 5.063 -3.572 6.634 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.317 -4.283 7.043 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.424 -5.683 6.482 1.00 0.00 H new ATOM 0 HG SER A 39 8.479 -5.471 5.424 1.00 0.00 H new ATOM 587 N GLU A 40 6.968 -1.749 5.927 1.00 0.00 N ATOM 588 CA GLU A 40 7.567 -0.521 5.407 1.00 0.00 C ATOM 589 C GLU A 40 8.482 -0.848 4.233 1.00 0.00 C ATOM 590 O GLU A 40 8.538 -0.117 3.240 1.00 0.00 O ATOM 591 CB GLU A 40 8.353 0.204 6.500 1.00 0.00 C ATOM 592 CG GLU A 40 7.498 0.617 7.684 1.00 0.00 C ATOM 593 CD GLU A 40 8.260 1.434 8.706 1.00 0.00 C ATOM 594 OE1 GLU A 40 8.911 0.839 9.586 1.00 0.00 O ATOM 595 OE2 GLU A 40 8.187 2.679 8.651 1.00 0.00 O ATOM 0 H GLU A 40 7.189 -1.954 6.901 1.00 0.00 H new ATOM 0 HA GLU A 40 6.768 0.137 5.067 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.157 -0.444 6.850 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.822 1.091 6.073 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.646 1.195 7.326 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.098 -0.275 8.165 1.00 0.00 H new ATOM 602 N ALA A 41 9.181 -1.970 4.350 1.00 0.00 N ATOM 603 CA ALA A 41 10.053 -2.448 3.293 1.00 0.00 C ATOM 604 C ALA A 41 9.243 -2.821 2.057 1.00 0.00 C ATOM 605 O ALA A 41 9.470 -2.288 0.977 1.00 0.00 O ATOM 606 CB ALA A 41 10.863 -3.638 3.780 1.00 0.00 C ATOM 0 H ALA A 41 9.158 -2.568 5.176 1.00 0.00 H new ATOM 0 HA ALA A 41 10.740 -1.647 3.020 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.513 -3.988 2.978 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.469 -3.340 4.635 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.188 -4.441 4.076 1.00 0.00 H new ATOM 612 N GLN A 42 8.270 -3.705 2.234 1.00 0.00 N ATOM 613 CA GLN A 42 7.457 -4.180 1.119 1.00 0.00 C ATOM 614 C GLN A 42 6.724 -3.013 0.452 1.00 0.00 C ATOM 615 O GLN A 42 6.525 -2.997 -0.761 1.00 0.00 O ATOM 616 CB GLN A 42 6.439 -5.207 1.608 1.00 0.00 C ATOM 617 CG GLN A 42 6.077 -6.245 0.561 1.00 0.00 C ATOM 618 CD GLN A 42 4.880 -7.085 0.959 1.00 0.00 C ATOM 619 OE1 GLN A 42 4.612 -7.284 2.139 1.00 0.00 O ATOM 620 NE2 GLN A 42 4.162 -7.599 -0.025 1.00 0.00 N ATOM 0 H GLN A 42 8.024 -4.108 3.138 1.00 0.00 H new ATOM 0 HA GLN A 42 8.119 -4.647 0.389 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.838 -5.713 2.487 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.533 -4.688 1.923 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.866 -5.744 -0.384 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.933 -6.898 0.391 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.417 -7.411 -0.995 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.353 -8.184 0.185 1.00 0.00 H new ATOM 629 N LEU A 43 6.344 -2.032 1.264 1.00 0.00 N ATOM 630 CA LEU A 43 5.612 -0.858 0.798 1.00 0.00 C ATOM 631 C LEU A 43 6.476 0.008 -0.108 1.00 0.00 C ATOM 632 O LEU A 43 5.968 0.851 -0.848 1.00 0.00 O ATOM 633 CB LEU A 43 5.149 -0.039 1.999 1.00 0.00 C ATOM 634 CG LEU A 43 4.128 1.052 1.707 1.00 0.00 C ATOM 635 CD1 LEU A 43 2.850 0.450 1.155 1.00 0.00 C ATOM 636 CD2 LEU A 43 3.843 1.836 2.972 1.00 0.00 C ATOM 0 H LEU A 43 6.535 -2.028 2.266 1.00 0.00 H new ATOM 0 HA LEU A 43 4.751 -1.197 0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.723 -0.720 2.736 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.023 0.422 2.458 1.00 0.00 H new ATOM 0 HG LEU A 43 4.536 1.728 0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.132 1.244 0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.069 -0.085 0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.429 -0.242 1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.112 2.616 2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.447 1.165 3.734 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.765 2.292 3.333 1.00 0.00 H new ATOM 648 N THR A 44 7.780 -0.197 -0.044 1.00 0.00 N ATOM 649 CA THR A 44 8.700 0.556 -0.871 1.00 0.00 C ATOM 650 C THR A 44 9.357 -0.346 -1.918 1.00 0.00 C ATOM 651 O THR A 44 10.345 0.030 -2.548 1.00 0.00 O ATOM 652 CB THR A 44 9.770 1.264 -0.010 1.00 0.00 C ATOM 653 OG1 THR A 44 10.330 0.345 0.941 1.00 0.00 O ATOM 654 CG2 THR A 44 9.165 2.454 0.728 1.00 0.00 C ATOM 0 H THR A 44 8.223 -0.878 0.572 1.00 0.00 H new ATOM 0 HA THR A 44 8.127 1.322 -1.394 1.00 0.00 H new ATOM 0 HB THR A 44 10.557 1.622 -0.673 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.043 -0.566 0.723 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.934 2.939 1.329 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.766 3.166 0.005 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.361 2.109 1.378 1.00 0.00 H new ATOM 662 N ASP A 45 8.811 -1.549 -2.087 1.00 0.00 N ATOM 663 CA ASP A 45 9.271 -2.453 -3.140 1.00 0.00 C ATOM 664 C ASP A 45 8.623 -2.112 -4.471 1.00 0.00 C ATOM 665 O ASP A 45 7.496 -1.609 -4.507 1.00 0.00 O ATOM 666 CB ASP A 45 8.998 -3.921 -2.799 1.00 0.00 C ATOM 667 CG ASP A 45 10.179 -4.588 -2.129 1.00 0.00 C ATOM 668 OD1 ASP A 45 11.198 -4.831 -2.819 1.00 0.00 O ATOM 669 OD2 ASP A 45 10.106 -4.855 -0.916 1.00 0.00 O ATOM 0 H ASP A 45 8.054 -1.919 -1.512 1.00 0.00 H new ATOM 0 HA ASP A 45 10.350 -2.317 -3.218 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.129 -3.983 -2.143 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.748 -4.462 -3.711 1.00 0.00 H new ATOM 674 N ALA A 46 9.330 -2.404 -5.554 1.00 0.00 N ATOM 675 CA ALA A 46 8.920 -1.995 -6.893 1.00 0.00 C ATOM 676 C ALA A 46 7.521 -2.487 -7.254 1.00 0.00 C ATOM 677 O ALA A 46 6.593 -1.693 -7.426 1.00 0.00 O ATOM 678 CB ALA A 46 9.924 -2.502 -7.912 1.00 0.00 C ATOM 0 H ALA A 46 10.203 -2.931 -5.531 1.00 0.00 H new ATOM 0 HA ALA A 46 8.890 -0.905 -6.905 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.615 -2.195 -8.911 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.907 -2.086 -7.692 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.972 -3.590 -7.865 1.00 0.00 H new ATOM 684 N GLU A 47 7.373 -3.798 -7.359 1.00 0.00 N ATOM 685 CA GLU A 47 6.133 -4.393 -7.834 1.00 0.00 C ATOM 686 C GLU A 47 5.046 -4.333 -6.769 1.00 0.00 C ATOM 687 O GLU A 47 3.865 -4.187 -7.088 1.00 0.00 O ATOM 688 CB GLU A 47 6.352 -5.842 -8.311 1.00 0.00 C ATOM 689 CG GLU A 47 7.107 -6.743 -7.334 1.00 0.00 C ATOM 690 CD GLU A 47 8.585 -6.409 -7.244 1.00 0.00 C ATOM 691 OE1 GLU A 47 9.348 -6.823 -8.138 1.00 0.00 O ATOM 692 OE2 GLU A 47 8.978 -5.708 -6.291 1.00 0.00 O ATOM 0 H GLU A 47 8.099 -4.473 -7.121 1.00 0.00 H new ATOM 0 HA GLU A 47 5.798 -3.806 -8.689 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.380 -6.290 -8.517 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.898 -5.818 -9.254 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.659 -6.654 -6.345 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.993 -7.782 -7.643 1.00 0.00 H new ATOM 699 N THR A 48 5.449 -4.441 -5.512 1.00 0.00 N ATOM 700 CA THR A 48 4.509 -4.393 -4.403 1.00 0.00 C ATOM 701 C THR A 48 3.748 -3.068 -4.350 1.00 0.00 C ATOM 702 O THR A 48 2.517 -3.043 -4.424 1.00 0.00 O ATOM 703 CB THR A 48 5.232 -4.591 -3.063 1.00 0.00 C ATOM 704 OG1 THR A 48 6.152 -5.684 -3.158 1.00 0.00 O ATOM 705 CG2 THR A 48 4.228 -4.858 -1.954 1.00 0.00 C ATOM 0 H THR A 48 6.423 -4.563 -5.234 1.00 0.00 H new ATOM 0 HA THR A 48 3.798 -5.202 -4.569 1.00 0.00 H new ATOM 0 HB THR A 48 5.782 -3.680 -2.828 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.732 -5.693 -2.368 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.756 -4.996 -1.011 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.547 -4.011 -1.868 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.660 -5.758 -2.187 1.00 0.00 H new ATOM 713 N SER A 49 4.487 -1.972 -4.229 1.00 0.00 N ATOM 714 CA SER A 49 3.888 -0.660 -4.028 1.00 0.00 C ATOM 715 C SER A 49 3.047 -0.247 -5.229 1.00 0.00 C ATOM 716 O SER A 49 1.970 0.330 -5.079 1.00 0.00 O ATOM 717 CB SER A 49 4.975 0.379 -3.777 1.00 0.00 C ATOM 718 OG SER A 49 5.861 0.464 -4.880 1.00 0.00 O ATOM 0 H SER A 49 5.506 -1.967 -4.267 1.00 0.00 H new ATOM 0 HA SER A 49 3.234 -0.719 -3.158 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.518 1.352 -3.597 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.532 0.117 -2.878 1.00 0.00 H new ATOM 0 HG SER A 49 6.351 -0.380 -4.971 1.00 0.00 H new ATOM 724 N LYS A 50 3.554 -0.556 -6.415 1.00 0.00 N ATOM 725 CA LYS A 50 2.870 -0.240 -7.658 1.00 0.00 C ATOM 726 C LYS A 50 1.477 -0.862 -7.680 1.00 0.00 C ATOM 727 O LYS A 50 0.515 -0.238 -8.132 1.00 0.00 O ATOM 728 CB LYS A 50 3.703 -0.735 -8.841 1.00 0.00 C ATOM 729 CG LYS A 50 3.117 -0.398 -10.201 1.00 0.00 C ATOM 730 CD LYS A 50 4.094 -0.737 -11.313 1.00 0.00 C ATOM 731 CE LYS A 50 3.496 -0.490 -12.683 1.00 0.00 C ATOM 732 NZ LYS A 50 4.498 -0.694 -13.759 1.00 0.00 N ATOM 0 H LYS A 50 4.448 -1.031 -6.541 1.00 0.00 H new ATOM 0 HA LYS A 50 2.753 0.841 -7.734 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.702 -0.305 -8.772 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.815 -1.816 -8.764 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.188 -0.949 -10.348 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.868 0.662 -10.241 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.998 -0.138 -11.198 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.391 -1.782 -11.229 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.651 -1.161 -12.839 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.108 0.527 -12.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.056 -0.517 -14.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.292 -0.036 -13.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.849 -1.672 -13.725 1.00 0.00 H new ATOM 746 N LEU A 51 1.366 -2.082 -7.164 1.00 0.00 N ATOM 747 CA LEU A 51 0.080 -2.756 -7.099 1.00 0.00 C ATOM 748 C LEU A 51 -0.789 -2.170 -5.998 1.00 0.00 C ATOM 749 O LEU A 51 -1.992 -2.040 -6.178 1.00 0.00 O ATOM 750 CB LEU A 51 0.243 -4.260 -6.898 1.00 0.00 C ATOM 751 CG LEU A 51 0.720 -5.022 -8.128 1.00 0.00 C ATOM 752 CD1 LEU A 51 0.730 -6.506 -7.842 1.00 0.00 C ATOM 753 CD2 LEU A 51 -0.165 -4.716 -9.328 1.00 0.00 C ATOM 0 H LEU A 51 2.147 -2.619 -6.788 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.416 -2.595 -8.056 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.951 -4.429 -6.086 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.713 -4.675 -6.579 1.00 0.00 H new ATOM 0 HG LEU A 51 1.734 -4.701 -8.366 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.072 -7.045 -8.726 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.402 -6.711 -7.009 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.277 -6.834 -7.585 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.193 -5.270 -10.195 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.191 -5.010 -9.108 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.132 -3.648 -9.541 1.00 0.00 H new ATOM 765 N ILE A 52 -0.189 -1.833 -4.860 1.00 0.00 N ATOM 766 CA ILE A 52 -0.921 -1.167 -3.785 1.00 0.00 C ATOM 767 C ILE A 52 -1.538 0.148 -4.258 1.00 0.00 C ATOM 768 O ILE A 52 -2.691 0.444 -3.960 1.00 0.00 O ATOM 769 CB ILE A 52 -0.016 -0.887 -2.575 1.00 0.00 C ATOM 770 CG1 ILE A 52 0.385 -2.199 -1.907 1.00 0.00 C ATOM 771 CG2 ILE A 52 -0.721 0.033 -1.585 1.00 0.00 C ATOM 772 CD1 ILE A 52 1.323 -2.013 -0.743 1.00 0.00 C ATOM 0 H ILE A 52 0.795 -2.008 -4.658 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.717 -1.849 -3.486 1.00 0.00 H new ATOM 0 HB ILE A 52 0.888 -0.384 -2.919 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.513 -2.713 -1.563 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.858 -2.845 -2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.067 0.221 -0.734 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.962 0.977 -2.074 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.639 -0.441 -1.239 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.568 -2.985 -0.314 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.236 -1.527 -1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.844 -1.392 0.014 1.00 0.00 H new ATOM 784 N TYR A 53 -0.766 0.933 -4.988 1.00 0.00 N ATOM 785 CA TYR A 53 -1.251 2.198 -5.520 1.00 0.00 C ATOM 786 C TYR A 53 -2.442 1.972 -6.452 1.00 0.00 C ATOM 787 O TYR A 53 -3.472 2.640 -6.335 1.00 0.00 O ATOM 788 CB TYR A 53 -0.117 2.913 -6.245 1.00 0.00 C ATOM 789 CG TYR A 53 -0.558 4.098 -7.063 1.00 0.00 C ATOM 790 CD1 TYR A 53 -1.046 5.232 -6.432 1.00 0.00 C ATOM 791 CD2 TYR A 53 -0.512 4.080 -8.454 1.00 0.00 C ATOM 792 CE1 TYR A 53 -1.478 6.321 -7.156 1.00 0.00 C ATOM 793 CE2 TYR A 53 -0.951 5.169 -9.187 1.00 0.00 C ATOM 794 CZ TYR A 53 -1.311 6.276 -8.607 1.00 0.00 C ATOM 795 OH TYR A 53 -1.874 7.368 -9.249 1.00 0.00 O ATOM 0 H TYR A 53 0.202 0.718 -5.227 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.593 2.825 -4.696 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.616 3.245 -5.510 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.387 2.201 -6.899 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.088 5.262 -5.353 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.130 3.209 -8.966 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -1.923 7.176 -6.670 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.996 5.098 -10.264 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.733 7.288 -10.215 1.00 0.00 H new ATOM 805 N ASP A 54 -2.291 1.024 -7.368 1.00 0.00 N ATOM 806 CA ASP A 54 -3.385 0.613 -8.251 1.00 0.00 C ATOM 807 C ASP A 54 -4.568 0.097 -7.434 1.00 0.00 C ATOM 808 O ASP A 54 -5.731 0.371 -7.744 1.00 0.00 O ATOM 809 CB ASP A 54 -2.890 -0.473 -9.211 1.00 0.00 C ATOM 810 CG ASP A 54 -4.014 -1.303 -9.798 1.00 0.00 C ATOM 811 OD1 ASP A 54 -4.706 -0.804 -10.713 1.00 0.00 O ATOM 812 OD2 ASP A 54 -4.218 -2.451 -9.350 1.00 0.00 O ATOM 0 H ASP A 54 -1.418 0.520 -7.522 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.718 1.476 -8.827 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.330 -0.006 -10.021 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.199 -1.130 -8.682 1.00 0.00 H new ATOM 817 N PHE A 55 -4.243 -0.640 -6.386 1.00 0.00 N ATOM 818 CA PHE A 55 -5.218 -1.162 -5.441 1.00 0.00 C ATOM 819 C PHE A 55 -6.070 -0.039 -4.863 1.00 0.00 C ATOM 820 O PHE A 55 -7.287 -0.051 -4.992 1.00 0.00 O ATOM 821 CB PHE A 55 -4.477 -1.903 -4.323 1.00 0.00 C ATOM 822 CG PHE A 55 -5.311 -2.229 -3.122 1.00 0.00 C ATOM 823 CD1 PHE A 55 -6.149 -3.324 -3.133 1.00 0.00 C ATOM 824 CD2 PHE A 55 -5.241 -1.448 -1.973 1.00 0.00 C ATOM 825 CE1 PHE A 55 -6.906 -3.636 -2.031 1.00 0.00 C ATOM 826 CE2 PHE A 55 -6.003 -1.760 -0.868 1.00 0.00 C ATOM 827 CZ PHE A 55 -6.835 -2.857 -0.898 1.00 0.00 C ATOM 0 H PHE A 55 -3.281 -0.897 -6.163 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.887 -1.851 -5.958 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.071 -2.830 -4.728 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.629 -1.296 -4.005 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.210 -3.942 -4.017 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.585 -0.591 -1.947 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.560 -4.496 -2.053 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.948 -1.146 0.019 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.432 -3.106 -0.033 1.00 0.00 H new ATOM 837 N ILE A 56 -5.411 0.940 -4.259 1.00 0.00 N ATOM 838 CA ILE A 56 -6.090 2.060 -3.618 1.00 0.00 C ATOM 839 C ILE A 56 -6.988 2.804 -4.604 1.00 0.00 C ATOM 840 O ILE A 56 -8.073 3.271 -4.252 1.00 0.00 O ATOM 841 CB ILE A 56 -5.062 3.035 -3.013 1.00 0.00 C ATOM 842 CG1 ILE A 56 -4.208 2.306 -1.977 1.00 0.00 C ATOM 843 CG2 ILE A 56 -5.754 4.234 -2.384 1.00 0.00 C ATOM 844 CD1 ILE A 56 -3.085 3.146 -1.418 1.00 0.00 C ATOM 0 H ILE A 56 -4.394 0.981 -4.199 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.716 1.656 -2.822 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.418 3.402 -3.812 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.848 1.978 -1.157 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.788 1.409 -2.432 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.006 4.907 -1.964 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.331 4.761 -3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.422 3.895 -1.592 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.522 2.563 -0.689 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.422 3.452 -2.227 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.499 4.030 -0.933 1.00 0.00 H new ATOM 856 N GLU A 57 -6.541 2.889 -5.848 1.00 0.00 N ATOM 857 CA GLU A 57 -7.286 3.591 -6.879 1.00 0.00 C ATOM 858 C GLU A 57 -8.512 2.778 -7.296 1.00 0.00 C ATOM 859 O GLU A 57 -9.484 3.324 -7.819 1.00 0.00 O ATOM 860 CB GLU A 57 -6.378 3.874 -8.082 1.00 0.00 C ATOM 861 CG GLU A 57 -7.016 4.777 -9.127 1.00 0.00 C ATOM 862 CD GLU A 57 -6.000 5.576 -9.919 1.00 0.00 C ATOM 863 OE1 GLU A 57 -5.379 4.999 -10.839 1.00 0.00 O ATOM 864 OE2 GLU A 57 -5.798 6.770 -9.615 1.00 0.00 O ATOM 0 H GLU A 57 -5.663 2.479 -6.167 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.634 4.544 -6.480 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.455 4.335 -7.730 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.103 2.929 -8.550 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.606 4.169 -9.813 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.705 5.463 -8.635 1.00 0.00 H new ATOM 871 N ASP A 58 -8.472 1.478 -7.027 1.00 0.00 N ATOM 872 CA ASP A 58 -9.573 0.583 -7.367 1.00 0.00 C ATOM 873 C ASP A 58 -10.790 0.858 -6.494 1.00 0.00 C ATOM 874 O ASP A 58 -11.922 0.791 -6.964 1.00 0.00 O ATOM 875 CB ASP A 58 -9.149 -0.881 -7.222 1.00 0.00 C ATOM 876 CG ASP A 58 -10.290 -1.849 -7.479 1.00 0.00 C ATOM 877 OD1 ASP A 58 -10.720 -1.970 -8.645 1.00 0.00 O ATOM 878 OD2 ASP A 58 -10.745 -2.511 -6.522 1.00 0.00 O ATOM 0 H ASP A 58 -7.684 1.018 -6.572 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.841 0.770 -8.407 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.336 -1.090 -7.918 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.759 -1.044 -6.218 1.00 0.00 H new ATOM 883 N GLN A 59 -10.557 1.187 -5.227 1.00 0.00 N ATOM 884 CA GLN A 59 -11.659 1.501 -4.319 1.00 0.00 C ATOM 885 C GLN A 59 -12.145 2.935 -4.514 1.00 0.00 C ATOM 886 O GLN A 59 -13.134 3.348 -3.914 1.00 0.00 O ATOM 887 CB GLN A 59 -11.279 1.280 -2.850 1.00 0.00 C ATOM 888 CG GLN A 59 -11.255 -0.181 -2.427 1.00 0.00 C ATOM 889 CD GLN A 59 -9.989 -0.898 -2.838 1.00 0.00 C ATOM 890 OE1 GLN A 59 -8.917 -0.304 -2.892 1.00 0.00 O ATOM 891 NE2 GLN A 59 -10.105 -2.183 -3.136 1.00 0.00 N ATOM 0 H GLN A 59 -9.629 1.243 -4.808 1.00 0.00 H new ATOM 0 HA GLN A 59 -12.468 0.814 -4.567 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -10.296 1.715 -2.671 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -11.986 1.818 -2.218 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.364 -0.241 -1.344 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -12.113 -0.693 -2.863 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.015 -2.640 -3.078 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -9.284 -2.716 -3.423 1.00 0.00 H new ATOM 900 N GLY A 60 -11.448 3.691 -5.350 1.00 0.00 N ATOM 901 CA GLY A 60 -11.855 5.056 -5.622 1.00 0.00 C ATOM 902 C GLY A 60 -10.799 6.061 -5.219 1.00 0.00 C ATOM 903 O GLY A 60 -10.737 7.162 -5.765 1.00 0.00 O ATOM 0 H GLY A 60 -10.610 3.385 -5.844 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.069 5.164 -6.685 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.780 5.270 -5.087 1.00 0.00 H new ATOM 907 N GLY A 61 -9.958 5.680 -4.274 1.00 0.00 N ATOM 908 CA GLY A 61 -8.915 6.566 -3.815 1.00 0.00 C ATOM 909 C GLY A 61 -8.642 6.405 -2.337 1.00 0.00 C ATOM 910 O GLY A 61 -9.216 5.528 -1.688 1.00 0.00 O ATOM 0 H GLY A 61 -9.980 4.769 -3.815 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.001 6.370 -4.376 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.200 7.598 -4.020 1.00 0.00 H new ATOM 914 N LEU A 62 -7.787 7.269 -1.801 1.00 0.00 N ATOM 915 CA LEU A 62 -7.343 7.157 -0.416 1.00 0.00 C ATOM 916 C LEU A 62 -8.498 7.341 0.564 1.00 0.00 C ATOM 917 O LEU A 62 -8.610 6.592 1.536 1.00 0.00 O ATOM 918 CB LEU A 62 -6.221 8.162 -0.121 1.00 0.00 C ATOM 919 CG LEU A 62 -4.821 7.748 -0.608 1.00 0.00 C ATOM 920 CD1 LEU A 62 -4.764 7.627 -2.129 1.00 0.00 C ATOM 921 CD2 LEU A 62 -3.780 8.739 -0.110 1.00 0.00 C ATOM 0 H LEU A 62 -7.386 8.058 -2.307 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.952 6.149 -0.280 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.480 9.116 -0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.179 8.328 0.955 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.601 6.763 -0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.759 7.333 -2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.479 6.874 -2.461 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.013 8.588 -2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.793 8.437 -0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.012 9.733 -0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.788 8.758 0.980 1.00 0.00 H new ATOM 933 N GLU A 63 -9.362 8.322 0.300 1.00 0.00 N ATOM 934 CA GLU A 63 -10.527 8.577 1.150 1.00 0.00 C ATOM 935 C GLU A 63 -11.373 7.317 1.320 1.00 0.00 C ATOM 936 O GLU A 63 -11.784 6.980 2.430 1.00 0.00 O ATOM 937 CB GLU A 63 -11.398 9.696 0.564 1.00 0.00 C ATOM 938 CG GLU A 63 -10.861 11.100 0.778 1.00 0.00 C ATOM 939 CD GLU A 63 -9.548 11.352 0.071 1.00 0.00 C ATOM 940 OE1 GLU A 63 -9.359 10.814 -1.042 1.00 0.00 O ATOM 941 OE2 GLU A 63 -8.696 12.073 0.637 1.00 0.00 O ATOM 0 H GLU A 63 -9.277 8.954 -0.496 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.153 8.886 2.126 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.512 9.525 -0.506 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.393 9.632 1.005 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.599 11.821 0.427 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.730 11.272 1.846 1.00 0.00 H new ATOM 948 N ALA A 64 -11.607 6.614 0.217 1.00 0.00 N ATOM 949 CA ALA A 64 -12.451 5.425 0.226 1.00 0.00 C ATOM 950 C ALA A 64 -11.785 4.290 0.997 1.00 0.00 C ATOM 951 O ALA A 64 -12.425 3.607 1.793 1.00 0.00 O ATOM 952 CB ALA A 64 -12.761 4.984 -1.196 1.00 0.00 C ATOM 0 H ALA A 64 -11.222 6.849 -0.698 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.385 5.677 0.728 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.392 4.095 -1.172 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.282 5.785 -1.720 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.831 4.755 -1.717 1.00 0.00 H new ATOM 958 N VAL A 65 -10.488 4.121 0.770 1.00 0.00 N ATOM 959 CA VAL A 65 -9.725 3.038 1.384 1.00 0.00 C ATOM 960 C VAL A 65 -9.695 3.168 2.903 1.00 0.00 C ATOM 961 O VAL A 65 -9.781 2.174 3.625 1.00 0.00 O ATOM 962 CB VAL A 65 -8.285 3.006 0.829 1.00 0.00 C ATOM 963 CG1 VAL A 65 -7.384 2.092 1.647 1.00 0.00 C ATOM 964 CG2 VAL A 65 -8.303 2.566 -0.624 1.00 0.00 C ATOM 0 H VAL A 65 -9.938 4.725 0.160 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.224 2.102 1.133 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.876 4.014 0.899 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.380 2.097 1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.346 2.446 2.677 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.781 1.077 1.627 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.284 2.545 -1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.739 1.570 -0.697 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.899 3.267 -1.209 1.00 0.00 H new ATOM 974 N ARG A 66 -9.593 4.399 3.384 1.00 0.00 N ATOM 975 CA ARG A 66 -9.565 4.655 4.816 1.00 0.00 C ATOM 976 C ARG A 66 -10.886 4.252 5.466 1.00 0.00 C ATOM 977 O ARG A 66 -10.923 3.862 6.628 1.00 0.00 O ATOM 978 CB ARG A 66 -9.292 6.134 5.082 1.00 0.00 C ATOM 979 CG ARG A 66 -7.955 6.614 4.542 1.00 0.00 C ATOM 980 CD ARG A 66 -7.726 8.088 4.839 1.00 0.00 C ATOM 981 NE ARG A 66 -7.571 8.336 6.269 1.00 0.00 N ATOM 982 CZ ARG A 66 -7.009 9.428 6.784 1.00 0.00 C ATOM 983 NH1 ARG A 66 -6.628 10.421 5.992 1.00 0.00 N ATOM 984 NH2 ARG A 66 -6.837 9.521 8.095 1.00 0.00 N ATOM 0 H ARG A 66 -9.528 5.235 2.804 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.765 4.056 5.251 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.089 6.728 4.635 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.326 6.313 6.157 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.151 6.025 4.983 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.917 6.449 3.465 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.835 8.431 4.312 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.565 8.670 4.458 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.916 7.627 6.916 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.765 10.350 4.984 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.198 11.255 6.391 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.135 8.759 8.704 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.407 10.355 8.495 1.00 0.00 H new ATOM 998 N GLN A 67 -11.961 4.316 4.694 1.00 0.00 N ATOM 999 CA GLN A 67 -13.293 4.056 5.214 1.00 0.00 C ATOM 1000 C GLN A 67 -13.601 2.571 5.174 1.00 0.00 C ATOM 1001 O GLN A 67 -14.304 2.063 6.048 1.00 0.00 O ATOM 1002 CB GLN A 67 -14.348 4.823 4.420 1.00 0.00 C ATOM 1003 CG GLN A 67 -14.165 6.330 4.462 1.00 0.00 C ATOM 1004 CD GLN A 67 -15.221 7.065 3.663 1.00 0.00 C ATOM 1005 OE1 GLN A 67 -16.359 6.607 3.541 1.00 0.00 O ATOM 1006 NE2 GLN A 67 -14.851 8.204 3.102 1.00 0.00 N ATOM 0 H GLN A 67 -11.935 4.547 3.701 1.00 0.00 H new ATOM 0 HA GLN A 67 -13.319 4.397 6.249 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -14.322 4.491 3.382 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -15.335 4.574 4.809 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -14.197 6.668 5.498 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -13.178 6.584 4.074 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -13.899 8.549 3.227 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -15.517 8.738 2.544 1.00 0.00 H new ATOM 1015 N GLU A 68 -13.051 1.882 4.165 1.00 0.00 N ATOM 1016 CA GLU A 68 -13.279 0.443 3.968 1.00 0.00 C ATOM 1017 C GLU A 68 -13.090 -0.336 5.262 1.00 0.00 C ATOM 1018 O GLU A 68 -13.775 -1.329 5.501 1.00 0.00 O ATOM 1019 CB GLU A 68 -12.318 -0.123 2.921 1.00 0.00 C ATOM 1020 CG GLU A 68 -12.609 0.328 1.507 1.00 0.00 C ATOM 1021 CD GLU A 68 -13.955 -0.163 1.017 1.00 0.00 C ATOM 1022 OE1 GLU A 68 -14.984 0.389 1.449 1.00 0.00 O ATOM 1023 OE2 GLU A 68 -13.986 -1.120 0.212 1.00 0.00 O ATOM 0 H GLU A 68 -12.439 2.303 3.466 1.00 0.00 H new ATOM 0 HA GLU A 68 -14.309 0.333 3.628 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.301 0.169 3.182 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.357 -1.212 2.959 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.583 1.417 1.462 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.826 -0.038 0.842 1.00 0.00 H new ATOM 1030 N MET A 69 -12.167 0.150 6.093 1.00 0.00 N ATOM 1031 CA MET A 69 -11.832 -0.489 7.369 1.00 0.00 C ATOM 1032 C MET A 69 -13.083 -0.790 8.184 1.00 0.00 C ATOM 1033 O MET A 69 -13.188 -1.825 8.843 1.00 0.00 O ATOM 1034 CB MET A 69 -10.921 0.411 8.193 1.00 0.00 C ATOM 1035 CG MET A 69 -9.502 0.459 7.680 1.00 0.00 C ATOM 1036 SD MET A 69 -8.403 1.356 8.785 1.00 0.00 S ATOM 1037 CE MET A 69 -6.846 0.953 8.017 1.00 0.00 C ATOM 0 H MET A 69 -11.631 0.996 5.902 1.00 0.00 H new ATOM 0 HA MET A 69 -11.323 -1.424 7.137 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.331 1.421 8.201 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.915 0.062 9.225 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.131 -0.558 7.550 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.490 0.931 6.698 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.234 0.381 8.714 1.00 0.00 H new ATOM 0 HE2 MET A 69 -7.025 0.359 7.121 1.00 0.00 H new ATOM 0 HE3 MET A 69 -6.326 1.872 7.746 1.00 0.00 H new ATOM 1047 N ARG A 70 -14.025 0.136 8.126 1.00 0.00 N ATOM 1048 CA ARG A 70 -15.263 0.032 8.864 1.00 0.00 C ATOM 1049 C ARG A 70 -16.447 0.259 7.930 1.00 0.00 C ATOM 1050 O ARG A 70 -17.515 0.705 8.351 1.00 0.00 O ATOM 1051 CB ARG A 70 -15.267 1.048 10.013 1.00 0.00 C ATOM 1052 CG ARG A 70 -15.069 2.501 9.588 1.00 0.00 C ATOM 1053 CD ARG A 70 -13.593 2.879 9.536 1.00 0.00 C ATOM 1054 NE ARG A 70 -13.387 4.258 9.096 1.00 0.00 N ATOM 1055 CZ ARG A 70 -12.217 4.899 9.159 1.00 0.00 C ATOM 1056 NH1 ARG A 70 -11.153 4.307 9.695 1.00 0.00 N ATOM 1057 NH2 ARG A 70 -12.114 6.140 8.694 1.00 0.00 N ATOM 0 H ARG A 70 -13.948 0.983 7.562 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.351 -0.968 9.288 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -16.214 0.967 10.547 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -14.480 0.780 10.718 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -15.519 2.658 8.608 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -15.588 3.158 10.286 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -13.151 2.746 10.524 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -13.071 2.203 8.859 1.00 0.00 H new ATOM 0 HE ARG A 70 -14.188 4.763 8.717 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.228 3.358 10.061 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.262 4.802 9.740 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.928 6.602 8.289 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.221 6.630 8.742 1.00 0.00 H new ATOM 1203 N VAL B 79 -10.273 -3.558 3.135 1.00 0.00 N ATOM 1204 CA VAL B 79 -9.146 -3.440 2.213 1.00 0.00 C ATOM 1205 C VAL B 79 -7.986 -4.368 2.576 1.00 0.00 C ATOM 1206 O VAL B 79 -7.226 -4.777 1.705 1.00 0.00 O ATOM 1207 CB VAL B 79 -8.614 -1.998 2.164 1.00 0.00 C ATOM 1208 CG1 VAL B 79 -9.016 -1.308 0.876 1.00 0.00 C ATOM 1209 CG2 VAL B 79 -9.087 -1.184 3.360 1.00 0.00 C ATOM 0 HA VAL B 79 -9.534 -3.732 1.237 1.00 0.00 H new ATOM 0 HB VAL B 79 -7.526 -2.060 2.202 1.00 0.00 H new ATOM 0 HG11 VAL B 79 -8.625 -0.290 0.871 1.00 0.00 H new ATOM 0 HG12 VAL B 79 -8.609 -1.857 0.027 1.00 0.00 H new ATOM 0 HG13 VAL B 79 -10.103 -1.280 0.802 1.00 0.00 H new ATOM 0 HG21 VAL B 79 -8.691 -0.171 3.290 1.00 0.00 H new ATOM 0 HG22 VAL B 79 -10.176 -1.148 3.368 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -8.733 -1.649 4.280 1.00 0.00 H new ATOM 1219 N ALA B 80 -7.853 -4.702 3.853 1.00 0.00 N ATOM 1220 CA ALA B 80 -6.733 -5.511 4.329 1.00 0.00 C ATOM 1221 C ALA B 80 -6.573 -6.820 3.553 1.00 0.00 C ATOM 1222 O ALA B 80 -5.526 -7.062 2.953 1.00 0.00 O ATOM 1223 CB ALA B 80 -6.880 -5.777 5.810 1.00 0.00 C ATOM 0 H ALA B 80 -8.509 -4.425 4.583 1.00 0.00 H new ATOM 0 HA ALA B 80 -5.823 -4.938 4.153 1.00 0.00 H new ATOM 0 HB1 ALA B 80 -6.041 -6.381 6.156 1.00 0.00 H new ATOM 0 HB2 ALA B 80 -6.893 -4.830 6.350 1.00 0.00 H new ATOM 0 HB3 ALA B 80 -7.812 -6.312 5.993 1.00 0.00 H new ATOM 1229 N GLN B 81 -7.600 -7.664 3.545 1.00 0.00 N ATOM 1230 CA GLN B 81 -7.513 -8.931 2.823 1.00 0.00 C ATOM 1231 C GLN B 81 -7.597 -8.683 1.327 1.00 0.00 C ATOM 1232 O GLN B 81 -7.071 -9.449 0.521 1.00 0.00 O ATOM 1233 CB GLN B 81 -8.618 -9.893 3.250 1.00 0.00 C ATOM 1234 CG GLN B 81 -8.091 -11.215 3.777 1.00 0.00 C ATOM 1235 CD GLN B 81 -7.544 -12.113 2.685 1.00 0.00 C ATOM 1236 OE1 GLN B 81 -8.008 -12.081 1.547 1.00 0.00 O ATOM 1237 NE2 GLN B 81 -6.548 -12.916 3.022 1.00 0.00 N ATOM 0 H GLN B 81 -8.487 -7.500 4.021 1.00 0.00 H new ATOM 0 HA GLN B 81 -6.554 -9.389 3.064 1.00 0.00 H new ATOM 0 HB2 GLN B 81 -9.226 -9.419 4.021 1.00 0.00 H new ATOM 0 HB3 GLN B 81 -9.273 -10.084 2.400 1.00 0.00 H new ATOM 0 HG2 GLN B 81 -7.306 -11.021 4.508 1.00 0.00 H new ATOM 0 HG3 GLN B 81 -8.892 -11.736 4.301 1.00 0.00 H new ATOM 0 HE21 GLN B 81 -6.191 -12.913 3.978 1.00 0.00 H new ATOM 0 HE22 GLN B 81 -6.137 -13.538 2.326 1.00 0.00 H new ATOM 1246 N ARG B 82 -8.250 -7.590 0.974 1.00 0.00 N ATOM 1247 CA ARG B 82 -8.375 -7.178 -0.408 1.00 0.00 C ATOM 1248 C ARG B 82 -6.988 -6.847 -0.972 1.00 0.00 C ATOM 1249 O ARG B 82 -6.724 -7.024 -2.162 1.00 0.00 O ATOM 1250 CB ARG B 82 -9.324 -5.979 -0.481 1.00 0.00 C ATOM 1251 CG ARG B 82 -9.503 -5.397 -1.866 1.00 0.00 C ATOM 1252 CD ARG B 82 -10.243 -6.332 -2.807 1.00 0.00 C ATOM 1253 NE ARG B 82 -10.509 -5.685 -4.093 1.00 0.00 N ATOM 1254 CZ ARG B 82 -11.599 -5.893 -4.830 1.00 0.00 C ATOM 1255 NH1 ARG B 82 -12.505 -6.790 -4.456 1.00 0.00 N ATOM 1256 NH2 ARG B 82 -11.784 -5.197 -5.948 1.00 0.00 N ATOM 0 H ARG B 82 -8.707 -6.965 1.638 1.00 0.00 H new ATOM 0 HA ARG B 82 -8.792 -7.982 -1.015 1.00 0.00 H new ATOM 0 HB2 ARG B 82 -10.299 -6.281 -0.100 1.00 0.00 H new ATOM 0 HB3 ARG B 82 -8.952 -5.197 0.181 1.00 0.00 H new ATOM 0 HG2 ARG B 82 -10.049 -4.457 -1.792 1.00 0.00 H new ATOM 0 HG3 ARG B 82 -8.525 -5.165 -2.287 1.00 0.00 H new ATOM 0 HD2 ARG B 82 -9.653 -7.235 -2.966 1.00 0.00 H new ATOM 0 HD3 ARG B 82 -11.183 -6.642 -2.351 1.00 0.00 H new ATOM 0 HE ARG B 82 -9.812 -5.030 -4.449 1.00 0.00 H new ATOM 0 HH11 ARG B 82 -12.369 -7.326 -3.599 1.00 0.00 H new ATOM 0 HH12 ARG B 82 -13.337 -6.943 -5.026 1.00 0.00 H new ATOM 0 HH21 ARG B 82 -11.092 -4.506 -6.239 1.00 0.00 H new ATOM 0 HH22 ARG B 82 -12.618 -5.354 -6.514 1.00 0.00 H new ATOM 1270 N LEU B 83 -6.102 -6.388 -0.092 1.00 0.00 N ATOM 1271 CA LEU B 83 -4.714 -6.121 -0.452 1.00 0.00 C ATOM 1272 C LEU B 83 -3.938 -7.422 -0.565 1.00 0.00 C ATOM 1273 O LEU B 83 -3.193 -7.623 -1.520 1.00 0.00 O ATOM 1274 CB LEU B 83 -4.032 -5.211 0.580 1.00 0.00 C ATOM 1275 CG LEU B 83 -3.637 -3.828 0.061 1.00 0.00 C ATOM 1276 CD1 LEU B 83 -2.939 -3.009 1.131 1.00 0.00 C ATOM 1277 CD2 LEU B 83 -2.762 -3.944 -1.175 1.00 0.00 C ATOM 0 H LEU B 83 -6.325 -6.192 0.884 1.00 0.00 H new ATOM 0 HA LEU B 83 -4.718 -5.611 -1.415 1.00 0.00 H new ATOM 0 HB2 LEU B 83 -4.702 -5.086 1.431 1.00 0.00 H new ATOM 0 HB3 LEU B 83 -3.138 -5.713 0.950 1.00 0.00 H new ATOM 0 HG LEU B 83 -4.555 -3.307 -0.211 1.00 0.00 H new ATOM 0 HD11 LEU B 83 -2.673 -2.033 0.726 1.00 0.00 H new ATOM 0 HD12 LEU B 83 -3.606 -2.879 1.983 1.00 0.00 H new ATOM 0 HD13 LEU B 83 -2.035 -3.526 1.454 1.00 0.00 H new ATOM 0 HD21 LEU B 83 -2.494 -2.947 -1.526 1.00 0.00 H new ATOM 0 HD22 LEU B 83 -1.856 -4.498 -0.929 1.00 0.00 H new ATOM 0 HD23 LEU B 83 -3.307 -4.470 -1.959 1.00 0.00 H new ATOM 1289 N MET B 84 -4.132 -8.304 0.411 1.00 0.00 N ATOM 1290 CA MET B 84 -3.424 -9.583 0.455 1.00 0.00 C ATOM 1291 C MET B 84 -3.566 -10.329 -0.866 1.00 0.00 C ATOM 1292 O MET B 84 -2.576 -10.776 -1.450 1.00 0.00 O ATOM 1293 CB MET B 84 -3.953 -10.445 1.605 1.00 0.00 C ATOM 1294 CG MET B 84 -3.815 -9.788 2.966 1.00 0.00 C ATOM 1295 SD MET B 84 -4.484 -10.795 4.302 1.00 0.00 S ATOM 1296 CE MET B 84 -4.231 -9.701 5.698 1.00 0.00 C ATOM 0 H MET B 84 -4.777 -8.157 1.187 1.00 0.00 H new ATOM 0 HA MET B 84 -2.366 -9.379 0.622 1.00 0.00 H new ATOM 0 HB2 MET B 84 -5.004 -10.672 1.425 1.00 0.00 H new ATOM 0 HB3 MET B 84 -3.418 -11.395 1.613 1.00 0.00 H new ATOM 0 HG2 MET B 84 -2.762 -9.587 3.162 1.00 0.00 H new ATOM 0 HG3 MET B 84 -4.326 -8.825 2.953 1.00 0.00 H new ATOM 0 HE1 MET B 84 -4.495 -10.220 6.619 1.00 0.00 H new ATOM 0 HE2 MET B 84 -3.184 -9.399 5.739 1.00 0.00 H new ATOM 0 HE3 MET B 84 -4.859 -8.817 5.586 1.00 0.00 H new ATOM 1306 N GLN B 85 -4.795 -10.425 -1.353 1.00 0.00 N ATOM 1307 CA GLN B 85 -5.067 -11.104 -2.614 1.00 0.00 C ATOM 1308 C GLN B 85 -4.470 -10.335 -3.787 1.00 0.00 C ATOM 1309 O GLN B 85 -4.118 -10.915 -4.813 1.00 0.00 O ATOM 1310 CB GLN B 85 -6.573 -11.253 -2.827 1.00 0.00 C ATOM 1311 CG GLN B 85 -7.286 -12.014 -1.722 1.00 0.00 C ATOM 1312 CD GLN B 85 -6.710 -13.395 -1.483 1.00 0.00 C ATOM 1313 OE1 GLN B 85 -6.176 -14.029 -2.394 1.00 0.00 O ATOM 1314 NE2 GLN B 85 -6.825 -13.872 -0.258 1.00 0.00 N ATOM 0 H GLN B 85 -5.621 -10.041 -0.894 1.00 0.00 H new ATOM 0 HA GLN B 85 -4.607 -12.091 -2.564 1.00 0.00 H new ATOM 0 HB2 GLN B 85 -7.016 -10.261 -2.914 1.00 0.00 H new ATOM 0 HB3 GLN B 85 -6.746 -11.764 -3.774 1.00 0.00 H new ATOM 0 HG2 GLN B 85 -7.229 -11.439 -0.798 1.00 0.00 H new ATOM 0 HG3 GLN B 85 -8.342 -12.106 -1.976 1.00 0.00 H new ATOM 0 HE21 GLN B 85 -7.275 -13.313 0.467 1.00 0.00 H new ATOM 0 HE22 GLN B 85 -6.464 -14.800 -0.036 1.00 0.00 H new ATOM 1323 N HIS B 86 -4.349 -9.025 -3.630 1.00 0.00 N ATOM 1324 CA HIS B 86 -3.882 -8.168 -4.710 1.00 0.00 C ATOM 1325 C HIS B 86 -2.379 -8.334 -4.937 1.00 0.00 C ATOM 1326 O HIS B 86 -1.893 -8.142 -6.048 1.00 0.00 O ATOM 1327 CB HIS B 86 -4.222 -6.703 -4.419 1.00 0.00 C ATOM 1328 CG HIS B 86 -4.153 -5.818 -5.628 1.00 0.00 C ATOM 1329 ND1 HIS B 86 -3.229 -4.905 -6.017 1.00 0.00 N flip ATOM 1330 CD2 HIS B 86 -5.124 -5.810 -6.604 1.00 0.00 C flip ATOM 1331 CE1 HIS B 86 -3.659 -4.372 -7.210 1.00 0.00 C flip ATOM 1332 NE2 HIS B 86 -4.803 -4.937 -7.539 1.00 0.00 N flip ATOM 0 H HIS B 86 -4.568 -8.532 -2.764 1.00 0.00 H new ATOM 0 HA HIS B 86 -4.395 -8.470 -5.623 1.00 0.00 H new ATOM 0 HB2 HIS B 86 -5.225 -6.649 -3.996 1.00 0.00 H new ATOM 0 HB3 HIS B 86 -3.536 -6.323 -3.662 1.00 0.00 H new ATOM 0 HD2 HIS B 86 -6.012 -6.424 -6.604 1.00 0.00 H new ATOM 0 HE1 HIS B 86 -3.144 -3.615 -7.783 1.00 0.00 H new ATOM 0 HE2 HIS B 86 -5.349 -4.733 -8.376 1.00 0.00 H new ATOM 1341 N LEU B 87 -1.644 -8.686 -3.887 1.00 0.00 N ATOM 1342 CA LEU B 87 -0.209 -8.924 -4.020 1.00 0.00 C ATOM 1343 C LEU B 87 0.081 -10.395 -4.301 1.00 0.00 C ATOM 1344 O LEU B 87 0.857 -10.727 -5.199 1.00 0.00 O ATOM 1345 CB LEU B 87 0.565 -8.492 -2.764 1.00 0.00 C ATOM 1346 CG LEU B 87 0.717 -6.980 -2.538 1.00 0.00 C ATOM 1347 CD1 LEU B 87 1.002 -6.254 -3.843 1.00 0.00 C ATOM 1348 CD2 LEU B 87 -0.509 -6.404 -1.859 1.00 0.00 C ATOM 0 H LEU B 87 -2.012 -8.812 -2.944 1.00 0.00 H new ATOM 0 HA LEU B 87 0.127 -8.319 -4.862 1.00 0.00 H new ATOM 0 HB2 LEU B 87 0.067 -8.919 -1.893 1.00 0.00 H new ATOM 0 HB3 LEU B 87 1.561 -8.932 -2.809 1.00 0.00 H new ATOM 0 HG LEU B 87 1.571 -6.830 -1.877 1.00 0.00 H new ATOM 0 HD11 LEU B 87 1.104 -5.186 -3.650 1.00 0.00 H new ATOM 0 HD12 LEU B 87 1.927 -6.635 -4.277 1.00 0.00 H new ATOM 0 HD13 LEU B 87 0.180 -6.420 -4.539 1.00 0.00 H new ATOM 0 HD21 LEU B 87 -0.374 -5.333 -1.712 1.00 0.00 H new ATOM 0 HD22 LEU B 87 -1.386 -6.576 -2.483 1.00 0.00 H new ATOM 0 HD23 LEU B 87 -0.651 -6.888 -0.893 1.00 0.00 H new ATOM 1360 N ALA B 88 -0.563 -11.272 -3.545 1.00 0.00 N ATOM 1361 CA ALA B 88 -0.273 -12.700 -3.598 1.00 0.00 C ATOM 1362 C ALA B 88 -0.534 -13.299 -4.981 1.00 0.00 C ATOM 1363 O ALA B 88 0.143 -14.239 -5.395 1.00 0.00 O ATOM 1364 CB ALA B 88 -1.088 -13.432 -2.548 1.00 0.00 C ATOM 0 H ALA B 88 -1.296 -11.018 -2.882 1.00 0.00 H new ATOM 0 HA ALA B 88 0.790 -12.824 -3.392 1.00 0.00 H new ATOM 0 HB1 ALA B 88 -0.866 -14.498 -2.593 1.00 0.00 H new ATOM 0 HB2 ALA B 88 -0.834 -13.050 -1.559 1.00 0.00 H new ATOM 0 HB3 ALA B 88 -2.150 -13.274 -2.736 1.00 0.00 H new ATOM 1370 N GLU B 89 -1.506 -12.744 -5.695 1.00 0.00 N ATOM 1371 CA GLU B 89 -1.894 -13.275 -6.998 1.00 0.00 C ATOM 1372 C GLU B 89 -0.988 -12.779 -8.124 1.00 0.00 C ATOM 1373 O GLU B 89 -1.215 -13.106 -9.286 1.00 0.00 O ATOM 1374 CB GLU B 89 -3.342 -12.914 -7.312 1.00 0.00 C ATOM 1375 CG GLU B 89 -4.353 -13.576 -6.391 1.00 0.00 C ATOM 1376 CD GLU B 89 -4.427 -15.073 -6.589 1.00 0.00 C ATOM 1377 OE1 GLU B 89 -5.142 -15.517 -7.513 1.00 0.00 O ATOM 1378 OE2 GLU B 89 -3.780 -15.816 -5.822 1.00 0.00 O ATOM 0 H GLU B 89 -2.040 -11.928 -5.395 1.00 0.00 H new ATOM 0 HA GLU B 89 -1.788 -14.358 -6.939 1.00 0.00 H new ATOM 0 HB2 GLU B 89 -3.459 -11.832 -7.247 1.00 0.00 H new ATOM 0 HB3 GLU B 89 -3.562 -13.197 -8.341 1.00 0.00 H new ATOM 0 HG2 GLU B 89 -4.089 -13.363 -5.355 1.00 0.00 H new ATOM 0 HG3 GLU B 89 -5.337 -13.141 -6.565 1.00 0.00 H new ATOM 1385 N HIS B 90 0.032 -11.992 -7.799 1.00 0.00 N ATOM 1386 CA HIS B 90 0.930 -11.478 -8.834 1.00 0.00 C ATOM 1387 C HIS B 90 2.388 -11.810 -8.532 1.00 0.00 C ATOM 1388 O HIS B 90 3.295 -11.226 -9.121 1.00 0.00 O ATOM 1389 CB HIS B 90 0.774 -9.963 -9.005 1.00 0.00 C ATOM 1390 CG HIS B 90 -0.555 -9.541 -9.556 1.00 0.00 C ATOM 1391 ND1 HIS B 90 -1.598 -8.915 -8.963 1.00 0.00 N flip ATOM 1392 CD2 HIS B 90 -0.935 -9.755 -10.863 1.00 0.00 C flip ATOM 1393 CE1 HIS B 90 -2.578 -8.767 -9.909 1.00 0.00 C flip ATOM 1394 NE2 HIS B 90 -2.152 -9.281 -11.049 1.00 0.00 N flip ATOM 0 H HIS B 90 0.257 -11.699 -6.848 1.00 0.00 H new ATOM 0 HA HIS B 90 0.648 -11.970 -9.765 1.00 0.00 H new ATOM 0 HB2 HIS B 90 0.923 -9.482 -8.038 1.00 0.00 H new ATOM 0 HB3 HIS B 90 1.561 -9.600 -9.666 1.00 0.00 H new ATOM 0 HD1 HIS B 90 -1.646 -8.610 -7.991 1.00 0.00 H new ATOM 0 HD2 HIS B 90 -0.331 -10.236 -11.618 1.00 0.00 H new ATOM 0 HE1 HIS B 90 -3.541 -8.306 -9.749 1.00 0.00 H new ATOM 1403 N GLY B 91 2.608 -12.747 -7.615 1.00 0.00 N ATOM 1404 CA GLY B 91 3.965 -13.146 -7.261 1.00 0.00 C ATOM 1405 C GLY B 91 4.788 -11.993 -6.719 1.00 0.00 C ATOM 1406 O GLY B 91 5.978 -11.874 -7.004 1.00 0.00 O ATOM 0 H GLY B 91 1.872 -13.240 -7.108 1.00 0.00 H new ATOM 0 HA2 GLY B 91 3.924 -13.940 -6.516 1.00 0.00 H new ATOM 0 HA3 GLY B 91 4.460 -13.559 -8.140 1.00 0.00 H new ATOM 1410 N ILE B 92 4.141 -11.148 -5.939 1.00 0.00 N ATOM 1411 CA ILE B 92 4.772 -9.965 -5.372 1.00 0.00 C ATOM 1412 C ILE B 92 5.808 -10.340 -4.316 1.00 0.00 C ATOM 1413 O ILE B 92 5.660 -11.344 -3.613 1.00 0.00 O ATOM 1414 CB ILE B 92 3.688 -9.052 -4.770 1.00 0.00 C ATOM 1415 CG1 ILE B 92 2.863 -8.451 -5.903 1.00 0.00 C ATOM 1416 CG2 ILE B 92 4.284 -7.961 -3.899 1.00 0.00 C ATOM 1417 CD1 ILE B 92 3.695 -7.696 -6.914 1.00 0.00 C ATOM 0 H ILE B 92 3.161 -11.260 -5.679 1.00 0.00 H new ATOM 0 HA ILE B 92 5.297 -9.433 -6.165 1.00 0.00 H new ATOM 0 HB ILE B 92 3.047 -9.652 -4.124 1.00 0.00 H new ATOM 0 HG12 ILE B 92 2.322 -9.249 -6.412 1.00 0.00 H new ATOM 0 HG13 ILE B 92 2.117 -7.778 -5.482 1.00 0.00 H new ATOM 0 HG21 ILE B 92 3.484 -7.340 -3.495 1.00 0.00 H new ATOM 0 HG22 ILE B 92 4.841 -8.414 -3.079 1.00 0.00 H new ATOM 0 HG23 ILE B 92 4.955 -7.344 -4.497 1.00 0.00 H new ATOM 0 HD11 ILE B 92 3.046 -7.295 -7.692 1.00 0.00 H new ATOM 0 HD12 ILE B 92 4.216 -6.877 -6.418 1.00 0.00 H new ATOM 0 HD13 ILE B 92 4.424 -8.371 -7.362 1.00 0.00 H new ATOM 1429 N GLN B 93 6.869 -9.538 -4.234 1.00 0.00 N ATOM 1430 CA GLN B 93 7.924 -9.742 -3.251 1.00 0.00 C ATOM 1431 C GLN B 93 7.365 -9.623 -1.841 1.00 0.00 C ATOM 1432 O GLN B 93 6.755 -8.615 -1.491 1.00 0.00 O ATOM 1433 CB GLN B 93 9.045 -8.718 -3.458 1.00 0.00 C ATOM 1434 CG GLN B 93 9.848 -8.931 -4.730 1.00 0.00 C ATOM 1435 CD GLN B 93 10.620 -10.236 -4.718 1.00 0.00 C ATOM 1436 OE1 GLN B 93 11.757 -10.294 -4.249 1.00 0.00 O ATOM 1437 NE2 GLN B 93 10.014 -11.289 -5.240 1.00 0.00 N ATOM 0 H GLN B 93 7.018 -8.734 -4.844 1.00 0.00 H new ATOM 0 HA GLN B 93 8.331 -10.744 -3.383 1.00 0.00 H new ATOM 0 HB2 GLN B 93 8.611 -7.718 -3.477 1.00 0.00 H new ATOM 0 HB3 GLN B 93 9.720 -8.756 -2.603 1.00 0.00 H new ATOM 0 HG2 GLN B 93 9.175 -8.919 -5.587 1.00 0.00 H new ATOM 0 HG3 GLN B 93 10.544 -8.102 -4.860 1.00 0.00 H new ATOM 0 HE21 GLN B 93 9.071 -11.199 -5.618 1.00 0.00 H new ATOM 0 HE22 GLN B 93 10.489 -12.191 -5.264 1.00 0.00 H new