USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=8 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 17 GLN : amide:sc=0.000312 X(o=0.00031,f=0) USER MOD Set 1.2: A 18 ASN : amide:sc= 0 K(o=0.00031,f=-1.3) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= -1.76! K(o=-1.8!,f=-0.12) 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=-0.000342 USER MOD Single : A 42 GLN : amide:sc= -1.96 K(o=-2,f=-0.89) USER MOD Single : A 44 THR OG1 : rot 15:sc= 1.32 USER MOD Single : A 48 THR OG1 : rot 170:sc= -2.32! USER MOD Single : A 49 SER OG : rot 113:sc= 0.194 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= -0.931 X(o=-0.93,f=-0.74) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 69 MET CE :methyl -118:sc= -0.389 (180deg=-1.92!) USER MOD Single : B 81 GLN : amide:sc= -0.53 K(o=-0.53,f=0) USER MOD Single : B 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 85 GLN : amide:sc= -0.0029 X(o=-0.0029,f=0) USER MOD Single : B 86 HIS : no HD1:sc= -0.619 K(o=-0.62,f=-3.4!) USER MOD Single : B 90 HIS : no HD1:sc= -0.163 X(o=-0.16,f=0) USER MOD Single : B 93 GLN : amide:sc= 0.998 K(o=1,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 168 N VAL A 12 0.041 10.878 -3.122 1.00 0.00 N ATOM 169 CA VAL A 12 0.001 9.884 -2.038 1.00 0.00 C ATOM 170 C VAL A 12 1.338 9.741 -1.284 1.00 0.00 C ATOM 171 O VAL A 12 1.468 8.899 -0.393 1.00 0.00 O ATOM 172 CB VAL A 12 -0.430 8.499 -2.590 1.00 0.00 C ATOM 173 CG1 VAL A 12 -0.913 7.584 -1.472 1.00 0.00 C ATOM 174 CG2 VAL A 12 -1.508 8.646 -3.661 1.00 0.00 C ATOM 0 HA VAL A 12 -0.732 10.252 -1.321 1.00 0.00 H new ATOM 0 HB VAL A 12 0.448 8.042 -3.047 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.208 6.622 -1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.109 7.435 -0.751 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.768 8.040 -0.973 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.791 7.660 -4.030 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.382 9.138 -3.233 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.122 9.245 -4.486 1.00 0.00 H new ATOM 184 N GLY A 13 2.314 10.585 -1.607 1.00 0.00 N ATOM 185 CA GLY A 13 3.654 10.401 -1.075 1.00 0.00 C ATOM 186 C GLY A 13 4.289 9.138 -1.626 1.00 0.00 C ATOM 187 O GLY A 13 5.133 8.508 -0.981 1.00 0.00 O ATOM 0 H GLY A 13 2.203 11.389 -2.224 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.271 11.263 -1.328 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.613 10.347 0.013 1.00 0.00 H new ATOM 191 N TRP A 14 3.876 8.774 -2.831 1.00 0.00 N ATOM 192 CA TRP A 14 4.261 7.514 -3.440 1.00 0.00 C ATOM 193 C TRP A 14 5.091 7.740 -4.701 1.00 0.00 C ATOM 194 O TRP A 14 4.846 8.683 -5.457 1.00 0.00 O ATOM 195 CB TRP A 14 2.992 6.717 -3.767 1.00 0.00 C ATOM 196 CG TRP A 14 3.229 5.464 -4.551 1.00 0.00 C ATOM 197 CD1 TRP A 14 3.710 4.283 -4.078 1.00 0.00 C ATOM 198 CD2 TRP A 14 2.986 5.269 -5.948 1.00 0.00 C ATOM 199 NE1 TRP A 14 3.788 3.364 -5.093 1.00 0.00 N ATOM 200 CE2 TRP A 14 3.347 3.945 -6.253 1.00 0.00 C ATOM 201 CE3 TRP A 14 2.498 6.088 -6.971 1.00 0.00 C ATOM 202 CZ2 TRP A 14 3.237 3.420 -7.537 1.00 0.00 C ATOM 203 CZ3 TRP A 14 2.390 5.566 -8.245 1.00 0.00 C ATOM 204 CH2 TRP A 14 2.756 4.244 -8.518 1.00 0.00 C ATOM 0 H TRP A 14 3.264 9.346 -3.413 1.00 0.00 H new ATOM 0 HA TRP A 14 4.881 6.953 -2.740 1.00 0.00 H new ATOM 0 HB2 TRP A 14 2.491 6.457 -2.834 1.00 0.00 H new ATOM 0 HB3 TRP A 14 2.311 7.357 -4.327 1.00 0.00 H new ATOM 0 HD1 TRP A 14 3.990 4.096 -3.052 1.00 0.00 H new ATOM 0 HE1 TRP A 14 4.120 2.404 -5.000 1.00 0.00 H new ATOM 0 HE3 TRP A 14 2.211 7.109 -6.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 3.521 2.400 -7.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 2.017 6.189 -9.044 1.00 0.00 H new ATOM 0 HH2 TRP A 14 2.657 3.865 -9.525 1.00 0.00 H new ATOM 215 N ASP A 15 6.088 6.891 -4.901 1.00 0.00 N ATOM 216 CA ASP A 15 6.889 6.905 -6.116 1.00 0.00 C ATOM 217 C ASP A 15 6.816 5.537 -6.778 1.00 0.00 C ATOM 218 O ASP A 15 6.949 4.514 -6.113 1.00 0.00 O ATOM 219 CB ASP A 15 8.346 7.258 -5.805 1.00 0.00 C ATOM 220 CG ASP A 15 9.224 7.236 -7.040 1.00 0.00 C ATOM 221 OD1 ASP A 15 9.336 8.283 -7.715 1.00 0.00 O ATOM 222 OD2 ASP A 15 9.812 6.174 -7.342 1.00 0.00 O ATOM 0 H ASP A 15 6.364 6.175 -4.228 1.00 0.00 H new ATOM 0 HA ASP A 15 6.494 7.664 -6.791 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.388 8.248 -5.351 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.739 6.554 -5.071 1.00 0.00 H new ATOM 227 N PRO A 16 6.581 5.515 -8.103 1.00 0.00 N ATOM 228 CA PRO A 16 6.388 4.280 -8.875 1.00 0.00 C ATOM 229 C PRO A 16 7.489 3.236 -8.685 1.00 0.00 C ATOM 230 O PRO A 16 7.238 2.046 -8.858 1.00 0.00 O ATOM 231 CB PRO A 16 6.357 4.754 -10.337 1.00 0.00 C ATOM 232 CG PRO A 16 6.820 6.172 -10.313 1.00 0.00 C ATOM 233 CD PRO A 16 6.459 6.703 -8.959 1.00 0.00 C ATOM 0 HA PRO A 16 5.482 3.772 -8.546 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.007 4.141 -10.961 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.352 4.678 -10.752 1.00 0.00 H new ATOM 0 HG2 PRO A 16 7.895 6.234 -10.482 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.339 6.753 -11.100 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.132 7.500 -8.644 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.449 7.113 -8.941 1.00 0.00 H new ATOM 241 N GLN A 17 8.702 3.671 -8.359 1.00 0.00 N ATOM 242 CA GLN A 17 9.797 2.733 -8.146 1.00 0.00 C ATOM 243 C GLN A 17 10.116 2.566 -6.662 1.00 0.00 C ATOM 244 O GLN A 17 10.162 1.447 -6.153 1.00 0.00 O ATOM 245 CB GLN A 17 11.051 3.168 -8.898 1.00 0.00 C ATOM 246 CG GLN A 17 12.201 2.181 -8.749 1.00 0.00 C ATOM 247 CD GLN A 17 13.483 2.660 -9.393 1.00 0.00 C ATOM 248 OE1 GLN A 17 13.742 2.395 -10.566 1.00 0.00 O ATOM 249 NE2 GLN A 17 14.305 3.356 -8.622 1.00 0.00 N ATOM 0 H GLN A 17 8.949 4.653 -8.238 1.00 0.00 H new ATOM 0 HA GLN A 17 9.468 1.770 -8.537 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.813 3.284 -9.955 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.367 4.145 -8.533 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.380 1.999 -7.689 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.913 1.228 -9.192 1.00 0.00 H new ATOM 0 HE21 GLN A 17 14.051 3.554 -7.654 1.00 0.00 H new ATOM 0 HE22 GLN A 17 15.192 3.694 -8.996 1.00 0.00 H new ATOM 258 N ASN A 18 10.339 3.683 -5.975 1.00 0.00 N ATOM 259 CA ASN A 18 10.784 3.648 -4.580 1.00 0.00 C ATOM 260 C ASN A 18 9.648 3.268 -3.637 1.00 0.00 C ATOM 261 O ASN A 18 9.883 2.885 -2.492 1.00 0.00 O ATOM 262 CB ASN A 18 11.380 4.993 -4.155 1.00 0.00 C ATOM 263 CG ASN A 18 12.752 5.258 -4.755 1.00 0.00 C ATOM 264 OD1 ASN A 18 13.073 4.799 -5.855 1.00 0.00 O ATOM 265 ND2 ASN A 18 13.574 6.006 -4.035 1.00 0.00 N ATOM 0 H ASN A 18 10.220 4.621 -6.357 1.00 0.00 H new ATOM 0 HA ASN A 18 11.557 2.883 -4.514 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.701 5.793 -4.450 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.454 5.023 -3.068 1.00 0.00 H new ATOM 0 HD21 ASN A 18 14.508 6.220 -4.386 1.00 0.00 H new ATOM 0 HD22 ASN A 18 13.274 6.368 -3.130 1.00 0.00 H new ATOM 272 N GLY A 19 8.424 3.388 -4.115 1.00 0.00 N ATOM 273 CA GLY A 19 7.284 2.985 -3.331 1.00 0.00 C ATOM 274 C GLY A 19 6.740 4.098 -2.467 1.00 0.00 C ATOM 275 O GLY A 19 6.940 5.282 -2.754 1.00 0.00 O ATOM 0 H GLY A 19 8.199 3.760 -5.038 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.497 2.632 -3.998 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.565 2.144 -2.697 1.00 0.00 H new ATOM 279 N PHE A 20 6.042 3.716 -1.412 1.00 0.00 N ATOM 280 CA PHE A 20 5.466 4.674 -0.479 1.00 0.00 C ATOM 281 C PHE A 20 6.543 5.187 0.459 1.00 0.00 C ATOM 282 O PHE A 20 7.402 4.421 0.903 1.00 0.00 O ATOM 283 CB PHE A 20 4.341 4.030 0.342 1.00 0.00 C ATOM 284 CG PHE A 20 3.115 3.677 -0.455 1.00 0.00 C ATOM 285 CD1 PHE A 20 2.134 4.627 -0.697 1.00 0.00 C ATOM 286 CD2 PHE A 20 2.938 2.397 -0.955 1.00 0.00 C ATOM 287 CE1 PHE A 20 1.003 4.304 -1.424 1.00 0.00 C ATOM 288 CE2 PHE A 20 1.810 2.071 -1.682 1.00 0.00 C ATOM 289 CZ PHE A 20 0.841 3.027 -1.916 1.00 0.00 C ATOM 0 H PHE A 20 5.858 2.741 -1.177 1.00 0.00 H new ATOM 0 HA PHE A 20 5.049 5.502 -1.053 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.725 3.126 0.815 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.055 4.712 1.142 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.255 5.629 -0.314 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.692 1.645 -0.774 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.246 5.053 -1.606 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.686 1.070 -2.067 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.042 2.774 -2.484 1.00 0.00 H new ATOM 299 N ASP A 21 6.512 6.476 0.749 1.00 0.00 N ATOM 300 CA ASP A 21 7.448 7.046 1.702 1.00 0.00 C ATOM 301 C ASP A 21 7.042 6.639 3.109 1.00 0.00 C ATOM 302 O ASP A 21 6.069 7.153 3.659 1.00 0.00 O ATOM 303 CB ASP A 21 7.503 8.569 1.590 1.00 0.00 C ATOM 304 CG ASP A 21 8.586 9.166 2.468 1.00 0.00 C ATOM 305 OD1 ASP A 21 8.315 9.435 3.655 1.00 0.00 O ATOM 306 OD2 ASP A 21 9.712 9.376 1.973 1.00 0.00 O ATOM 0 H ASP A 21 5.855 7.142 0.343 1.00 0.00 H new ATOM 0 HA ASP A 21 8.444 6.663 1.479 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.682 8.850 0.552 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.537 8.988 1.871 1.00 0.00 H new ATOM 311 N VAL A 22 7.790 5.709 3.681 1.00 0.00 N ATOM 312 CA VAL A 22 7.435 5.113 4.961 1.00 0.00 C ATOM 313 C VAL A 22 7.695 6.053 6.135 1.00 0.00 C ATOM 314 O VAL A 22 7.381 5.728 7.283 1.00 0.00 O ATOM 315 CB VAL A 22 8.168 3.775 5.180 1.00 0.00 C ATOM 316 CG1 VAL A 22 7.651 2.724 4.209 1.00 0.00 C ATOM 317 CG2 VAL A 22 9.671 3.936 5.023 1.00 0.00 C ATOM 0 H VAL A 22 8.654 5.348 3.276 1.00 0.00 H new ATOM 0 HA VAL A 22 6.362 4.924 4.922 1.00 0.00 H new ATOM 0 HB VAL A 22 7.968 3.448 6.200 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.178 1.784 4.375 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.583 2.575 4.369 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.821 3.059 3.186 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.159 2.974 5.184 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.896 4.293 4.018 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.038 4.656 5.755 1.00 0.00 H new ATOM 327 N ASN A 23 8.253 7.218 5.851 1.00 0.00 N ATOM 328 CA ASN A 23 8.450 8.232 6.878 1.00 0.00 C ATOM 329 C ASN A 23 7.234 9.154 6.941 1.00 0.00 C ATOM 330 O ASN A 23 6.858 9.635 8.012 1.00 0.00 O ATOM 331 CB ASN A 23 9.731 9.037 6.616 1.00 0.00 C ATOM 332 CG ASN A 23 9.865 10.241 7.533 1.00 0.00 C ATOM 333 OD1 ASN A 23 10.283 10.121 8.684 1.00 0.00 O ATOM 334 ND2 ASN A 23 9.550 11.418 7.015 1.00 0.00 N ATOM 0 H ASN A 23 8.577 7.486 4.922 1.00 0.00 H new ATOM 0 HA ASN A 23 8.562 7.734 7.841 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.597 8.388 6.747 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.739 9.373 5.579 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.651 12.265 7.574 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.206 11.478 6.056 1.00 0.00 H new ATOM 341 N ASN A 24 6.609 9.377 5.793 1.00 0.00 N ATOM 342 CA ASN A 24 5.426 10.230 5.718 1.00 0.00 C ATOM 343 C ASN A 24 4.184 9.427 5.357 1.00 0.00 C ATOM 344 O ASN A 24 3.289 9.922 4.671 1.00 0.00 O ATOM 345 CB ASN A 24 5.627 11.364 4.706 1.00 0.00 C ATOM 346 CG ASN A 24 6.536 12.465 5.225 1.00 0.00 C ATOM 347 OD1 ASN A 24 7.225 13.129 4.449 1.00 0.00 O ATOM 348 ND2 ASN A 24 6.532 12.683 6.533 1.00 0.00 N ATOM 0 H ASN A 24 6.900 8.980 4.900 1.00 0.00 H new ATOM 0 HA ASN A 24 5.279 10.665 6.707 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.048 10.954 3.788 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.658 11.791 4.449 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.113 13.422 6.929 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.948 12.112 7.143 1.00 0.00 H new ATOM 355 N LEU A 25 4.136 8.185 5.817 1.00 0.00 N ATOM 356 CA LEU A 25 2.960 7.350 5.627 1.00 0.00 C ATOM 357 C LEU A 25 1.798 7.863 6.464 1.00 0.00 C ATOM 358 O LEU A 25 1.915 8.005 7.682 1.00 0.00 O ATOM 359 CB LEU A 25 3.259 5.896 5.996 1.00 0.00 C ATOM 360 CG LEU A 25 3.933 5.068 4.907 1.00 0.00 C ATOM 361 CD1 LEU A 25 4.281 3.692 5.440 1.00 0.00 C ATOM 362 CD2 LEU A 25 3.030 4.948 3.690 1.00 0.00 C ATOM 0 H LEU A 25 4.898 7.734 6.324 1.00 0.00 H new ATOM 0 HA LEU A 25 2.686 7.395 4.573 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.895 5.887 6.881 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.323 5.409 6.271 1.00 0.00 H new ATOM 0 HG LEU A 25 4.851 5.573 4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.762 3.109 4.655 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.961 3.791 6.286 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.371 3.186 5.763 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.529 4.354 2.924 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.097 4.462 3.976 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.816 5.942 3.296 1.00 0.00 H new ATOM 374 N ASP A 26 0.685 8.155 5.801 1.00 0.00 N ATOM 375 CA ASP A 26 -0.522 8.603 6.482 1.00 0.00 C ATOM 376 C ASP A 26 -1.059 7.519 7.407 1.00 0.00 C ATOM 377 O ASP A 26 -1.013 6.336 7.068 1.00 0.00 O ATOM 378 CB ASP A 26 -1.594 9.015 5.471 1.00 0.00 C ATOM 379 CG ASP A 26 -1.417 10.443 5.001 1.00 0.00 C ATOM 380 OD1 ASP A 26 -1.849 11.368 5.730 1.00 0.00 O ATOM 381 OD2 ASP A 26 -0.850 10.650 3.908 1.00 0.00 O ATOM 0 H ASP A 26 0.594 8.089 4.787 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.262 9.472 7.086 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.558 8.344 4.612 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.580 8.902 5.923 1.00 0.00 H new ATOM 386 N PRO A 27 -1.545 7.919 8.598 1.00 0.00 N ATOM 387 CA PRO A 27 -2.010 7.004 9.650 1.00 0.00 C ATOM 388 C PRO A 27 -2.821 5.819 9.129 1.00 0.00 C ATOM 389 O PRO A 27 -2.491 4.664 9.411 1.00 0.00 O ATOM 390 CB PRO A 27 -2.887 7.907 10.515 1.00 0.00 C ATOM 391 CG PRO A 27 -2.266 9.254 10.394 1.00 0.00 C ATOM 392 CD PRO A 27 -1.666 9.329 9.016 1.00 0.00 C ATOM 0 HA PRO A 27 -1.173 6.539 10.171 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.919 7.912 10.164 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.904 7.569 11.551 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -3.010 10.038 10.536 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.502 9.398 11.158 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.302 9.893 8.334 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.696 9.825 9.030 1.00 0.00 H new ATOM 400 N ASP A 28 -3.860 6.106 8.356 1.00 0.00 N ATOM 401 CA ASP A 28 -4.758 5.070 7.853 1.00 0.00 C ATOM 402 C ASP A 28 -4.036 4.100 6.925 1.00 0.00 C ATOM 403 O ASP A 28 -4.144 2.885 7.092 1.00 0.00 O ATOM 404 CB ASP A 28 -5.970 5.688 7.147 1.00 0.00 C ATOM 405 CG ASP A 28 -5.630 6.943 6.367 1.00 0.00 C ATOM 406 OD1 ASP A 28 -4.741 6.868 5.493 1.00 0.00 O ATOM 407 OD2 ASP A 28 -6.260 7.988 6.604 1.00 0.00 O ATOM 0 H ASP A 28 -4.104 7.052 8.062 1.00 0.00 H new ATOM 0 HA ASP A 28 -5.112 4.504 8.715 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -6.402 4.952 6.469 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.733 5.924 7.889 1.00 0.00 H new ATOM 412 N LEU A 29 -3.302 4.629 5.953 1.00 0.00 N ATOM 413 CA LEU A 29 -2.492 3.799 5.068 1.00 0.00 C ATOM 414 C LEU A 29 -1.523 2.943 5.875 1.00 0.00 C ATOM 415 O LEU A 29 -1.405 1.736 5.655 1.00 0.00 O ATOM 416 CB LEU A 29 -1.700 4.675 4.098 1.00 0.00 C ATOM 417 CG LEU A 29 -2.535 5.564 3.181 1.00 0.00 C ATOM 418 CD1 LEU A 29 -1.619 6.442 2.351 1.00 0.00 C ATOM 419 CD2 LEU A 29 -3.434 4.723 2.285 1.00 0.00 C ATOM 0 H LEU A 29 -3.251 5.629 5.757 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.163 3.149 4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.027 5.309 4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.077 4.029 3.479 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.176 6.199 3.792 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.217 7.076 1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.018 7.067 3.011 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.963 5.815 1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.020 5.378 1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.821 4.063 1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.106 4.125 2.901 1.00 0.00 H new ATOM 431 N ARG A 30 -0.852 3.582 6.826 1.00 0.00 N ATOM 432 CA ARG A 30 0.146 2.921 7.655 1.00 0.00 C ATOM 433 C ARG A 30 -0.500 1.797 8.465 1.00 0.00 C ATOM 434 O ARG A 30 0.108 0.753 8.702 1.00 0.00 O ATOM 435 CB ARG A 30 0.812 3.956 8.567 1.00 0.00 C ATOM 436 CG ARG A 30 2.202 3.572 9.053 1.00 0.00 C ATOM 437 CD ARG A 30 2.164 2.728 10.316 1.00 0.00 C ATOM 438 NE ARG A 30 3.507 2.335 10.737 1.00 0.00 N ATOM 439 CZ ARG A 30 4.251 3.020 11.603 1.00 0.00 C ATOM 440 NH1 ARG A 30 3.780 4.127 12.161 1.00 0.00 N ATOM 441 NH2 ARG A 30 5.469 2.600 11.912 1.00 0.00 N ATOM 0 H ARG A 30 -0.984 4.570 7.043 1.00 0.00 H new ATOM 0 HA ARG A 30 0.912 2.472 7.022 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.878 4.903 8.032 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.172 4.123 9.433 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.719 3.021 8.267 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.780 4.477 9.242 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.680 3.289 11.116 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.561 1.837 10.142 1.00 0.00 H new ATOM 0 HE ARG A 30 3.900 1.481 10.342 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.844 4.457 11.927 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.354 4.648 12.824 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.839 1.750 11.486 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.037 3.127 12.576 1.00 0.00 H new ATOM 455 N SER A 31 -1.743 2.021 8.872 1.00 0.00 N ATOM 456 CA SER A 31 -2.522 1.014 9.574 1.00 0.00 C ATOM 457 C SER A 31 -2.844 -0.143 8.630 1.00 0.00 C ATOM 458 O SER A 31 -2.574 -1.307 8.930 1.00 0.00 O ATOM 459 CB SER A 31 -3.826 1.635 10.093 1.00 0.00 C ATOM 460 OG SER A 31 -4.431 0.824 11.085 1.00 0.00 O ATOM 0 H SER A 31 -2.236 2.902 8.725 1.00 0.00 H new ATOM 0 HA SER A 31 -1.942 0.638 10.417 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.620 2.623 10.505 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.519 1.774 9.263 1.00 0.00 H new ATOM 0 HG SER A 31 -5.258 1.249 11.395 1.00 0.00 H new ATOM 466 N LEU A 32 -3.389 0.213 7.473 1.00 0.00 N ATOM 467 CA LEU A 32 -3.856 -0.752 6.490 1.00 0.00 C ATOM 468 C LEU A 32 -2.762 -1.706 6.044 1.00 0.00 C ATOM 469 O LEU A 32 -2.899 -2.923 6.155 1.00 0.00 O ATOM 470 CB LEU A 32 -4.383 -0.026 5.258 1.00 0.00 C ATOM 471 CG LEU A 32 -4.743 -0.952 4.102 1.00 0.00 C ATOM 472 CD1 LEU A 32 -5.923 -1.813 4.478 1.00 0.00 C ATOM 473 CD2 LEU A 32 -5.046 -0.170 2.847 1.00 0.00 C ATOM 0 H LEU A 32 -3.519 1.184 7.191 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.643 -1.331 6.972 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.265 0.550 5.537 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.631 0.687 4.919 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.883 -1.591 3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.173 -2.471 3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.672 -2.413 5.353 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.778 -1.178 4.708 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.299 -0.859 2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.887 0.499 3.029 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.171 0.415 2.563 1.00 0.00 H new ATOM 485 N PHE A 33 -1.683 -1.138 5.531 1.00 0.00 N ATOM 486 CA PHE A 33 -0.639 -1.915 4.879 1.00 0.00 C ATOM 487 C PHE A 33 -0.045 -2.937 5.836 1.00 0.00 C ATOM 488 O PHE A 33 0.225 -4.077 5.459 1.00 0.00 O ATOM 489 CB PHE A 33 0.449 -0.989 4.332 1.00 0.00 C ATOM 490 CG PHE A 33 -0.059 0.019 3.334 1.00 0.00 C ATOM 491 CD1 PHE A 33 -1.125 -0.290 2.499 1.00 0.00 C ATOM 492 CD2 PHE A 33 0.515 1.281 3.236 1.00 0.00 C ATOM 493 CE1 PHE A 33 -1.606 0.632 1.592 1.00 0.00 C ATOM 494 CE2 PHE A 33 0.036 2.206 2.331 1.00 0.00 C ATOM 495 CZ PHE A 33 -0.966 1.875 1.472 1.00 0.00 C ATOM 0 H PHE A 33 -1.506 -0.134 5.554 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.085 -2.457 4.045 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.916 -0.461 5.163 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.225 -1.593 3.862 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.584 -1.266 2.560 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.346 1.541 3.876 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.466 0.399 0.981 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.459 3.199 2.304 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.268 2.567 0.700 1.00 0.00 H new ATOM 505 N SER A 34 0.106 -2.532 7.085 1.00 0.00 N ATOM 506 CA SER A 34 0.636 -3.405 8.112 1.00 0.00 C ATOM 507 C SER A 34 -0.322 -4.568 8.386 1.00 0.00 C ATOM 508 O SER A 34 0.109 -5.696 8.625 1.00 0.00 O ATOM 509 CB SER A 34 0.893 -2.597 9.377 1.00 0.00 C ATOM 510 OG SER A 34 1.447 -3.395 10.410 1.00 0.00 O ATOM 0 H SER A 34 -0.134 -1.596 7.412 1.00 0.00 H new ATOM 0 HA SER A 34 1.578 -3.833 7.768 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.571 -1.774 9.151 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.042 -2.155 9.722 1.00 0.00 H new ATOM 0 HG SER A 34 1.599 -2.842 11.205 1.00 0.00 H new ATOM 516 N ARG A 35 -1.629 -4.292 8.329 1.00 0.00 N ATOM 517 CA ARG A 35 -2.638 -5.336 8.493 1.00 0.00 C ATOM 518 C ARG A 35 -2.601 -6.295 7.316 1.00 0.00 C ATOM 519 O ARG A 35 -2.753 -7.507 7.471 1.00 0.00 O ATOM 520 CB ARG A 35 -4.043 -4.754 8.572 1.00 0.00 C ATOM 521 CG ARG A 35 -4.284 -3.901 9.785 1.00 0.00 C ATOM 522 CD ARG A 35 -5.678 -3.299 9.754 1.00 0.00 C ATOM 523 NE ARG A 35 -5.895 -2.344 10.837 1.00 0.00 N ATOM 524 CZ ARG A 35 -7.055 -1.725 11.047 1.00 0.00 C ATOM 525 NH1 ARG A 35 -8.115 -2.029 10.307 1.00 0.00 N ATOM 526 NH2 ARG A 35 -7.169 -0.823 12.016 1.00 0.00 N ATOM 0 H ARG A 35 -2.009 -3.359 8.171 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.407 -5.854 9.424 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -4.229 -4.158 7.679 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.764 -5.571 8.566 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.162 -4.501 10.687 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.540 -3.105 9.829 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.835 -2.801 8.797 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.417 -4.097 9.823 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.118 -2.141 11.465 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.041 -2.737 9.577 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.003 -1.554 10.469 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.365 -0.602 12.604 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.060 -0.352 12.172 1.00 0.00 H new ATOM 540 N ALA A 36 -2.403 -5.720 6.136 1.00 0.00 N ATOM 541 CA ALA A 36 -2.455 -6.453 4.879 1.00 0.00 C ATOM 542 C ALA A 36 -1.254 -7.388 4.717 1.00 0.00 C ATOM 543 O ALA A 36 -1.228 -8.231 3.820 1.00 0.00 O ATOM 544 CB ALA A 36 -2.528 -5.468 3.720 1.00 0.00 C ATOM 0 H ALA A 36 -2.201 -4.726 6.025 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.349 -7.077 4.883 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.567 -6.016 2.779 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.423 -4.854 3.820 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.646 -4.828 3.731 1.00 0.00 H new ATOM 550 N GLY A 37 -0.264 -7.229 5.585 1.00 0.00 N ATOM 551 CA GLY A 37 0.912 -8.078 5.534 1.00 0.00 C ATOM 552 C GLY A 37 2.062 -7.402 4.822 1.00 0.00 C ATOM 553 O GLY A 37 3.154 -7.961 4.696 1.00 0.00 O ATOM 0 H GLY A 37 -0.253 -6.527 6.325 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.216 -8.340 6.548 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.666 -9.010 5.024 1.00 0.00 H new ATOM 557 N ILE A 38 1.809 -6.196 4.347 1.00 0.00 N ATOM 558 CA ILE A 38 2.814 -5.416 3.661 1.00 0.00 C ATOM 559 C ILE A 38 3.746 -4.755 4.665 1.00 0.00 C ATOM 560 O ILE A 38 3.378 -3.784 5.328 1.00 0.00 O ATOM 561 CB ILE A 38 2.164 -4.326 2.797 1.00 0.00 C ATOM 562 CG1 ILE A 38 0.949 -4.883 2.059 1.00 0.00 C ATOM 563 CG2 ILE A 38 3.177 -3.775 1.808 1.00 0.00 C ATOM 564 CD1 ILE A 38 0.051 -3.813 1.492 1.00 0.00 C ATOM 0 H ILE A 38 0.903 -5.734 4.427 1.00 0.00 H new ATOM 0 HA ILE A 38 3.380 -6.093 3.021 1.00 0.00 H new ATOM 0 HB ILE A 38 1.830 -3.517 3.446 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.289 -5.528 1.249 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.372 -5.506 2.742 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.708 -3.002 1.199 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.020 -3.347 2.351 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.531 -4.580 1.164 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.792 -4.278 0.981 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.318 -3.182 2.300 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.613 -3.204 0.784 1.00 0.00 H new ATOM 576 N SER A 39 4.945 -5.296 4.781 1.00 0.00 N ATOM 577 CA SER A 39 5.965 -4.709 5.633 1.00 0.00 C ATOM 578 C SER A 39 6.425 -3.368 5.056 1.00 0.00 C ATOM 579 O SER A 39 6.235 -3.115 3.864 1.00 0.00 O ATOM 580 CB SER A 39 7.144 -5.672 5.774 1.00 0.00 C ATOM 581 OG SER A 39 8.179 -5.123 6.573 1.00 0.00 O ATOM 0 H SER A 39 5.238 -6.143 4.295 1.00 0.00 H new ATOM 0 HA SER A 39 5.545 -4.530 6.623 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.799 -6.606 6.217 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.536 -5.913 4.786 1.00 0.00 H new ATOM 0 HG SER A 39 8.915 -5.767 6.643 1.00 0.00 H new ATOM 587 N GLU A 40 7.019 -2.511 5.882 1.00 0.00 N ATOM 588 CA GLU A 40 7.523 -1.220 5.411 1.00 0.00 C ATOM 589 C GLU A 40 8.455 -1.398 4.215 1.00 0.00 C ATOM 590 O GLU A 40 8.413 -0.624 3.261 1.00 0.00 O ATOM 591 CB GLU A 40 8.233 -0.478 6.541 1.00 0.00 C ATOM 592 CG GLU A 40 7.337 0.516 7.261 1.00 0.00 C ATOM 593 CD GLU A 40 8.004 1.127 8.473 1.00 0.00 C ATOM 594 OE1 GLU A 40 9.052 1.789 8.316 1.00 0.00 O ATOM 595 OE2 GLU A 40 7.489 0.936 9.592 1.00 0.00 O ATOM 0 H GLU A 40 7.164 -2.684 6.877 1.00 0.00 H new ATOM 0 HA GLU A 40 6.671 -0.623 5.087 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.612 -1.203 7.261 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.096 0.049 6.135 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.051 1.309 6.570 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.419 0.015 7.569 1.00 0.00 H new ATOM 602 N ALA A 41 9.268 -2.446 4.253 1.00 0.00 N ATOM 603 CA ALA A 41 10.157 -2.750 3.143 1.00 0.00 C ATOM 604 C ALA A 41 9.355 -3.080 1.886 1.00 0.00 C ATOM 605 O ALA A 41 9.681 -2.633 0.791 1.00 0.00 O ATOM 606 CB ALA A 41 11.076 -3.903 3.506 1.00 0.00 C ATOM 0 H ALA A 41 9.329 -3.096 5.037 1.00 0.00 H new ATOM 0 HA ALA A 41 10.767 -1.870 2.937 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.736 -4.120 2.666 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.673 -3.632 4.377 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.479 -4.786 3.736 1.00 0.00 H new ATOM 612 N GLN A 42 8.281 -3.835 2.067 1.00 0.00 N ATOM 613 CA GLN A 42 7.430 -4.257 0.959 1.00 0.00 C ATOM 614 C GLN A 42 6.736 -3.054 0.325 1.00 0.00 C ATOM 615 O GLN A 42 6.425 -3.057 -0.865 1.00 0.00 O ATOM 616 CB GLN A 42 6.396 -5.273 1.453 1.00 0.00 C ATOM 617 CG GLN A 42 5.706 -6.044 0.343 1.00 0.00 C ATOM 618 CD GLN A 42 4.700 -7.056 0.865 1.00 0.00 C ATOM 619 OE1 GLN A 42 3.689 -7.329 0.226 1.00 0.00 O ATOM 620 NE2 GLN A 42 4.987 -7.643 2.014 1.00 0.00 N ATOM 0 H GLN A 42 7.974 -4.172 2.980 1.00 0.00 H new ATOM 0 HA GLN A 42 8.053 -4.729 0.199 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.888 -5.980 2.121 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.642 -4.751 2.041 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.198 -5.342 -0.319 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.457 -6.560 -0.255 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.837 -7.390 2.517 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.358 -8.349 2.397 1.00 0.00 H new ATOM 629 N LEU A 43 6.510 -2.015 1.125 1.00 0.00 N ATOM 630 CA LEU A 43 5.915 -0.777 0.630 1.00 0.00 C ATOM 631 C LEU A 43 6.893 -0.022 -0.259 1.00 0.00 C ATOM 632 O LEU A 43 6.496 0.862 -1.022 1.00 0.00 O ATOM 633 CB LEU A 43 5.484 0.119 1.792 1.00 0.00 C ATOM 634 CG LEU A 43 4.278 -0.379 2.579 1.00 0.00 C ATOM 635 CD1 LEU A 43 4.037 0.498 3.797 1.00 0.00 C ATOM 636 CD2 LEU A 43 3.052 -0.393 1.683 1.00 0.00 C ATOM 0 H LEU A 43 6.731 -2.006 2.121 1.00 0.00 H new ATOM 0 HA LEU A 43 5.037 -1.044 0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.325 0.229 2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.259 1.111 1.401 1.00 0.00 H new ATOM 0 HG LEU A 43 4.476 -1.393 2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.172 0.127 4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.915 0.473 4.442 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.851 1.523 3.476 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.192 -0.750 2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.855 0.616 1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.228 -1.055 0.835 1.00 0.00 H new ATOM 648 N THR A 44 8.168 -0.370 -0.150 1.00 0.00 N ATOM 649 CA THR A 44 9.203 0.249 -0.960 1.00 0.00 C ATOM 650 C THR A 44 9.718 -0.728 -2.024 1.00 0.00 C ATOM 651 O THR A 44 10.756 -0.502 -2.646 1.00 0.00 O ATOM 652 CB THR A 44 10.369 0.762 -0.081 1.00 0.00 C ATOM 653 OG1 THR A 44 10.851 -0.294 0.762 1.00 0.00 O ATOM 654 CG2 THR A 44 9.920 1.938 0.784 1.00 0.00 C ATOM 0 H THR A 44 8.509 -1.082 0.496 1.00 0.00 H new ATOM 0 HA THR A 44 8.761 1.107 -1.466 1.00 0.00 H new ATOM 0 HB THR A 44 11.170 1.097 -0.741 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.509 -1.153 0.438 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.756 2.282 1.393 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.579 2.751 0.144 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.104 1.621 1.434 1.00 0.00 H new ATOM 662 N ASP A 45 8.995 -1.831 -2.207 1.00 0.00 N ATOM 663 CA ASP A 45 9.280 -2.768 -3.293 1.00 0.00 C ATOM 664 C ASP A 45 8.495 -2.373 -4.539 1.00 0.00 C ATOM 665 O ASP A 45 7.305 -2.071 -4.451 1.00 0.00 O ATOM 666 CB ASP A 45 8.944 -4.214 -2.901 1.00 0.00 C ATOM 667 CG ASP A 45 9.999 -4.853 -2.016 1.00 0.00 C ATOM 668 OD1 ASP A 45 11.155 -5.012 -2.476 1.00 0.00 O ATOM 669 OD2 ASP A 45 9.681 -5.212 -0.864 1.00 0.00 O ATOM 0 H ASP A 45 8.207 -2.098 -1.617 1.00 0.00 H new ATOM 0 HA ASP A 45 10.349 -2.720 -3.501 1.00 0.00 H new ATOM 0 HB2 ASP A 45 7.985 -4.230 -2.382 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.827 -4.811 -3.805 1.00 0.00 H new ATOM 674 N ALA A 46 9.163 -2.389 -5.687 1.00 0.00 N ATOM 675 CA ALA A 46 8.623 -1.828 -6.928 1.00 0.00 C ATOM 676 C ALA A 46 7.242 -2.378 -7.291 1.00 0.00 C ATOM 677 O ALA A 46 6.239 -1.658 -7.217 1.00 0.00 O ATOM 678 CB ALA A 46 9.594 -2.083 -8.065 1.00 0.00 C ATOM 0 H ALA A 46 10.095 -2.791 -5.787 1.00 0.00 H new ATOM 0 HA ALA A 46 8.498 -0.758 -6.764 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.191 -1.665 -8.988 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.550 -1.611 -7.840 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.739 -3.157 -8.186 1.00 0.00 H new ATOM 684 N GLU A 47 7.191 -3.653 -7.671 1.00 0.00 N ATOM 685 CA GLU A 47 5.956 -4.255 -8.170 1.00 0.00 C ATOM 686 C GLU A 47 4.881 -4.254 -7.094 1.00 0.00 C ATOM 687 O GLU A 47 3.702 -4.035 -7.377 1.00 0.00 O ATOM 688 CB GLU A 47 6.190 -5.686 -8.681 1.00 0.00 C ATOM 689 CG GLU A 47 6.892 -6.601 -7.689 1.00 0.00 C ATOM 690 CD GLU A 47 8.391 -6.408 -7.686 1.00 0.00 C ATOM 691 OE1 GLU A 47 9.073 -7.035 -8.515 1.00 0.00 O ATOM 692 OE2 GLU A 47 8.894 -5.643 -6.841 1.00 0.00 O ATOM 0 H GLU A 47 7.989 -4.288 -7.643 1.00 0.00 H new ATOM 0 HA GLU A 47 5.616 -3.648 -9.009 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.228 -6.126 -8.945 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.781 -5.640 -9.595 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.503 -6.414 -6.688 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.663 -7.639 -7.931 1.00 0.00 H new ATOM 699 N THR A 48 5.302 -4.483 -5.861 1.00 0.00 N ATOM 700 CA THR A 48 4.392 -4.501 -4.735 1.00 0.00 C ATOM 701 C THR A 48 3.710 -3.153 -4.563 1.00 0.00 C ATOM 702 O THR A 48 2.484 -3.057 -4.584 1.00 0.00 O ATOM 703 CB THR A 48 5.133 -4.841 -3.435 1.00 0.00 C ATOM 704 OG1 THR A 48 5.946 -6.007 -3.627 1.00 0.00 O ATOM 705 CG2 THR A 48 4.141 -5.074 -2.308 1.00 0.00 C ATOM 0 H THR A 48 6.276 -4.660 -5.617 1.00 0.00 H new ATOM 0 HA THR A 48 3.643 -5.266 -4.941 1.00 0.00 H new ATOM 0 HB THR A 48 5.774 -4.002 -3.165 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.531 -6.129 -2.850 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.681 -5.314 -1.392 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.547 -4.173 -2.154 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.482 -5.902 -2.569 1.00 0.00 H new ATOM 713 N SER A 49 4.521 -2.113 -4.430 1.00 0.00 N ATOM 714 CA SER A 49 4.029 -0.785 -4.116 1.00 0.00 C ATOM 715 C SER A 49 3.091 -0.269 -5.203 1.00 0.00 C ATOM 716 O SER A 49 2.046 0.318 -4.909 1.00 0.00 O ATOM 717 CB SER A 49 5.210 0.165 -3.941 1.00 0.00 C ATOM 718 OG SER A 49 4.830 1.313 -3.213 1.00 0.00 O ATOM 0 H SER A 49 5.534 -2.168 -4.537 1.00 0.00 H new ATOM 0 HA SER A 49 3.461 -0.837 -3.187 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.020 -0.348 -3.422 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.593 0.459 -4.918 1.00 0.00 H new ATOM 0 HG SER A 49 5.288 1.318 -2.347 1.00 0.00 H new ATOM 724 N LYS A 50 3.456 -0.503 -6.454 1.00 0.00 N ATOM 725 CA LYS A 50 2.651 -0.041 -7.572 1.00 0.00 C ATOM 726 C LYS A 50 1.301 -0.748 -7.589 1.00 0.00 C ATOM 727 O LYS A 50 0.274 -0.138 -7.881 1.00 0.00 O ATOM 728 CB LYS A 50 3.375 -0.271 -8.896 1.00 0.00 C ATOM 729 CG LYS A 50 2.657 0.351 -10.083 1.00 0.00 C ATOM 730 CD LYS A 50 3.335 0.015 -11.398 1.00 0.00 C ATOM 731 CE LYS A 50 2.656 0.718 -12.558 1.00 0.00 C ATOM 732 NZ LYS A 50 3.233 0.310 -13.863 1.00 0.00 N ATOM 0 H LYS A 50 4.301 -1.008 -6.719 1.00 0.00 H new ATOM 0 HA LYS A 50 2.487 1.029 -7.447 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.381 0.143 -8.830 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.481 -1.343 -9.064 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.625 -0.000 -10.107 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.623 1.433 -9.959 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.384 0.308 -11.355 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.311 -1.063 -11.558 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.590 0.493 -12.546 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.755 1.797 -12.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.743 0.812 -14.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.245 0.548 -13.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.116 -0.716 -13.989 1.00 0.00 H new ATOM 746 N LEU A 51 1.305 -2.031 -7.258 1.00 0.00 N ATOM 747 CA LEU A 51 0.076 -2.806 -7.241 1.00 0.00 C ATOM 748 C LEU A 51 -0.771 -2.471 -6.020 1.00 0.00 C ATOM 749 O LEU A 51 -1.990 -2.632 -6.048 1.00 0.00 O ATOM 750 CB LEU A 51 0.374 -4.302 -7.313 1.00 0.00 C ATOM 751 CG LEU A 51 0.834 -4.788 -8.691 1.00 0.00 C ATOM 752 CD1 LEU A 51 1.191 -6.261 -8.650 1.00 0.00 C ATOM 753 CD2 LEU A 51 -0.244 -4.532 -9.735 1.00 0.00 C ATOM 0 H LEU A 51 2.142 -2.554 -6.999 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.501 -2.536 -8.125 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.144 -4.543 -6.580 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.522 -4.853 -7.027 1.00 0.00 H new ATOM 0 HG LEU A 51 1.726 -4.227 -8.969 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.515 -6.585 -9.639 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.997 -6.420 -7.934 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.318 -6.839 -8.347 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.101 -4.884 -10.708 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.153 -5.065 -9.458 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.452 -3.463 -9.789 1.00 0.00 H new ATOM 765 N ILE A 52 -0.133 -2.011 -4.947 1.00 0.00 N ATOM 766 CA ILE A 52 -0.863 -1.467 -3.814 1.00 0.00 C ATOM 767 C ILE A 52 -1.588 -0.190 -4.216 1.00 0.00 C ATOM 768 O ILE A 52 -2.746 0.017 -3.865 1.00 0.00 O ATOM 769 CB ILE A 52 0.061 -1.155 -2.630 1.00 0.00 C ATOM 770 CG1 ILE A 52 0.765 -2.424 -2.161 1.00 0.00 C ATOM 771 CG2 ILE A 52 -0.735 -0.529 -1.493 1.00 0.00 C ATOM 772 CD1 ILE A 52 1.667 -2.204 -0.975 1.00 0.00 C ATOM 0 H ILE A 52 0.882 -2.005 -4.842 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.579 -2.228 -3.504 1.00 0.00 H new ATOM 0 HB ILE A 52 0.819 -0.442 -2.953 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.016 -3.173 -1.904 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.352 -2.830 -2.984 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.068 -0.312 -0.658 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.197 0.396 -1.838 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.511 -1.222 -1.167 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.135 -3.147 -0.694 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.438 -1.479 -1.234 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.081 -1.826 -0.137 1.00 0.00 H new ATOM 784 N TYR A 53 -0.902 0.669 -4.957 1.00 0.00 N ATOM 785 CA TYR A 53 -1.524 1.886 -5.446 1.00 0.00 C ATOM 786 C TYR A 53 -2.627 1.536 -6.441 1.00 0.00 C ATOM 787 O TYR A 53 -3.719 2.099 -6.399 1.00 0.00 O ATOM 788 CB TYR A 53 -0.498 2.818 -6.091 1.00 0.00 C ATOM 789 CG TYR A 53 -1.120 4.096 -6.592 1.00 0.00 C ATOM 790 CD1 TYR A 53 -1.484 5.103 -5.710 1.00 0.00 C ATOM 791 CD2 TYR A 53 -1.314 4.304 -7.951 1.00 0.00 C ATOM 792 CE1 TYR A 53 -2.031 6.283 -6.168 1.00 0.00 C ATOM 793 CE2 TYR A 53 -1.854 5.486 -8.416 1.00 0.00 C ATOM 794 CZ TYR A 53 -2.317 6.426 -7.504 1.00 0.00 C ATOM 795 OH TYR A 53 -2.736 7.653 -7.982 1.00 0.00 O ATOM 0 H TYR A 53 0.073 0.546 -5.229 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.958 2.414 -4.597 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.280 3.056 -5.366 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.014 2.303 -6.921 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.337 4.961 -4.650 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.039 3.531 -8.653 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.234 7.091 -5.480 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.916 5.678 -9.477 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.897 7.591 -8.947 1.00 0.00 H new ATOM 805 N ASP A 54 -2.328 0.587 -7.324 1.00 0.00 N ATOM 806 CA ASP A 54 -3.314 0.038 -8.256 1.00 0.00 C ATOM 807 C ASP A 54 -4.536 -0.480 -7.496 1.00 0.00 C ATOM 808 O ASP A 54 -5.674 -0.379 -7.960 1.00 0.00 O ATOM 809 CB ASP A 54 -2.663 -1.092 -9.066 1.00 0.00 C ATOM 810 CG ASP A 54 -3.657 -1.916 -9.853 1.00 0.00 C ATOM 811 OD1 ASP A 54 -4.033 -1.495 -10.966 1.00 0.00 O ATOM 812 OD2 ASP A 54 -4.078 -2.985 -9.361 1.00 0.00 O ATOM 0 H ASP A 54 -1.399 0.177 -7.415 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.649 0.822 -8.935 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.933 -0.663 -9.753 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.116 -1.747 -8.388 1.00 0.00 H new ATOM 817 N PHE A 55 -4.270 -1.020 -6.318 1.00 0.00 N ATOM 818 CA PHE A 55 -5.297 -1.508 -5.409 1.00 0.00 C ATOM 819 C PHE A 55 -6.155 -0.358 -4.894 1.00 0.00 C ATOM 820 O PHE A 55 -7.380 -0.407 -4.965 1.00 0.00 O ATOM 821 CB PHE A 55 -4.619 -2.229 -4.238 1.00 0.00 C ATOM 822 CG PHE A 55 -5.497 -2.468 -3.048 1.00 0.00 C ATOM 823 CD1 PHE A 55 -6.330 -3.567 -3.008 1.00 0.00 C ATOM 824 CD2 PHE A 55 -5.476 -1.602 -1.962 1.00 0.00 C ATOM 825 CE1 PHE A 55 -7.128 -3.804 -1.912 1.00 0.00 C ATOM 826 CE2 PHE A 55 -6.278 -1.835 -0.863 1.00 0.00 C ATOM 827 CZ PHE A 55 -7.105 -2.940 -0.839 1.00 0.00 C ATOM 0 H PHE A 55 -3.322 -1.134 -5.960 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.950 -2.199 -5.942 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.242 -3.189 -4.591 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.755 -1.644 -3.922 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.356 -4.248 -3.845 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.827 -0.739 -1.978 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.774 -4.669 -1.893 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.259 -1.155 -0.024 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.733 -3.127 0.020 1.00 0.00 H new ATOM 837 N ILE A 56 -5.495 0.667 -4.374 1.00 0.00 N ATOM 838 CA ILE A 56 -6.173 1.841 -3.839 1.00 0.00 C ATOM 839 C ILE A 56 -7.047 2.490 -4.912 1.00 0.00 C ATOM 840 O ILE A 56 -8.194 2.865 -4.656 1.00 0.00 O ATOM 841 CB ILE A 56 -5.142 2.850 -3.291 1.00 0.00 C ATOM 842 CG1 ILE A 56 -4.366 2.202 -2.142 1.00 0.00 C ATOM 843 CG2 ILE A 56 -5.819 4.134 -2.830 1.00 0.00 C ATOM 844 CD1 ILE A 56 -3.241 3.052 -1.602 1.00 0.00 C ATOM 0 H ILE A 56 -4.478 0.709 -4.311 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.818 1.527 -3.018 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.450 3.118 -4.089 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.059 1.977 -1.331 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.957 1.252 -2.484 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.067 4.825 -2.449 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.341 4.592 -3.670 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.534 3.905 -2.040 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.741 2.522 -0.791 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.525 3.256 -2.398 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.644 3.993 -1.227 1.00 0.00 H new ATOM 856 N GLU A 57 -6.494 2.594 -6.110 1.00 0.00 N ATOM 857 CA GLU A 57 -7.232 3.048 -7.283 1.00 0.00 C ATOM 858 C GLU A 57 -8.489 2.202 -7.489 1.00 0.00 C ATOM 859 O GLU A 57 -9.601 2.724 -7.604 1.00 0.00 O ATOM 860 CB GLU A 57 -6.332 2.913 -8.512 1.00 0.00 C ATOM 861 CG GLU A 57 -5.212 3.935 -8.587 1.00 0.00 C ATOM 862 CD GLU A 57 -5.703 5.327 -8.916 1.00 0.00 C ATOM 863 OE1 GLU A 57 -6.132 5.549 -10.069 1.00 0.00 O ATOM 864 OE2 GLU A 57 -5.654 6.206 -8.039 1.00 0.00 O ATOM 0 H GLU A 57 -5.518 2.366 -6.299 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.529 4.087 -7.137 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.896 1.914 -8.520 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.947 3.000 -9.408 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.684 3.958 -7.634 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.492 3.622 -9.343 1.00 0.00 H new ATOM 871 N ASP A 58 -8.287 0.891 -7.521 1.00 0.00 N ATOM 872 CA ASP A 58 -9.360 -0.081 -7.731 1.00 0.00 C ATOM 873 C ASP A 58 -10.476 0.057 -6.694 1.00 0.00 C ATOM 874 O ASP A 58 -11.644 -0.186 -6.994 1.00 0.00 O ATOM 875 CB ASP A 58 -8.780 -1.501 -7.697 1.00 0.00 C ATOM 876 CG ASP A 58 -9.845 -2.579 -7.686 1.00 0.00 C ATOM 877 OD1 ASP A 58 -10.521 -2.761 -8.719 1.00 0.00 O ATOM 878 OD2 ASP A 58 -10.017 -3.246 -6.643 1.00 0.00 O ATOM 0 H ASP A 58 -7.368 0.466 -7.401 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.802 0.117 -8.708 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.136 -1.644 -8.564 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.153 -1.610 -6.812 1.00 0.00 H new ATOM 883 N GLN A 59 -10.121 0.464 -5.483 1.00 0.00 N ATOM 884 CA GLN A 59 -11.100 0.600 -4.409 1.00 0.00 C ATOM 885 C GLN A 59 -11.902 1.892 -4.546 1.00 0.00 C ATOM 886 O GLN A 59 -12.920 2.078 -3.876 1.00 0.00 O ATOM 887 CB GLN A 59 -10.407 0.545 -3.044 1.00 0.00 C ATOM 888 CG GLN A 59 -9.642 -0.747 -2.826 1.00 0.00 C ATOM 889 CD GLN A 59 -10.522 -1.969 -2.974 1.00 0.00 C ATOM 890 OE1 GLN A 59 -11.702 -1.948 -2.626 1.00 0.00 O ATOM 891 NE2 GLN A 59 -9.967 -3.028 -3.536 1.00 0.00 N ATOM 0 H GLN A 59 -9.166 0.705 -5.218 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.796 -0.235 -4.485 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.721 1.388 -2.955 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -11.153 0.657 -2.258 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.821 -0.805 -3.540 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -9.198 -0.740 -1.830 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.985 -3.004 -3.810 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -10.521 -3.870 -3.696 1.00 0.00 H new ATOM 900 N GLY A 60 -11.454 2.773 -5.431 1.00 0.00 N ATOM 901 CA GLY A 60 -12.162 4.017 -5.654 1.00 0.00 C ATOM 902 C GLY A 60 -11.317 5.226 -5.326 1.00 0.00 C ATOM 903 O GLY A 60 -11.773 6.364 -5.446 1.00 0.00 O ATOM 0 H GLY A 60 -10.615 2.648 -5.997 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.479 4.070 -6.696 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.066 4.032 -5.045 1.00 0.00 H new ATOM 907 N GLY A 61 -10.086 4.980 -4.910 1.00 0.00 N ATOM 908 CA GLY A 61 -9.189 6.059 -4.573 1.00 0.00 C ATOM 909 C GLY A 61 -8.775 6.011 -3.118 1.00 0.00 C ATOM 910 O GLY A 61 -8.991 5.003 -2.446 1.00 0.00 O ATOM 0 H GLY A 61 -9.692 4.046 -4.800 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.303 6.006 -5.205 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.673 7.013 -4.782 1.00 0.00 H new ATOM 914 N LEU A 62 -8.207 7.099 -2.614 1.00 0.00 N ATOM 915 CA LEU A 62 -7.581 7.081 -1.296 1.00 0.00 C ATOM 916 C LEU A 62 -8.618 7.161 -0.181 1.00 0.00 C ATOM 917 O LEU A 62 -8.543 6.413 0.794 1.00 0.00 O ATOM 918 CB LEU A 62 -6.571 8.223 -1.158 1.00 0.00 C ATOM 919 CG LEU A 62 -5.235 8.021 -1.887 1.00 0.00 C ATOM 920 CD1 LEU A 62 -5.431 7.899 -3.388 1.00 0.00 C ATOM 921 CD2 LEU A 62 -4.293 9.167 -1.584 1.00 0.00 C ATOM 0 H LEU A 62 -8.166 7.999 -3.092 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.055 6.131 -1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.032 9.138 -1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.366 8.377 -0.098 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.800 7.089 -1.526 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.464 7.757 -3.871 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.073 7.045 -3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.897 8.808 -3.769 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.350 9.011 -2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.741 10.104 -1.916 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.109 9.213 -0.511 1.00 0.00 H new ATOM 933 N GLU A 63 -9.590 8.055 -0.341 1.00 0.00 N ATOM 934 CA GLU A 63 -10.619 8.275 0.676 1.00 0.00 C ATOM 935 C GLU A 63 -11.410 7.007 0.938 1.00 0.00 C ATOM 936 O GLU A 63 -11.776 6.719 2.078 1.00 0.00 O ATOM 937 CB GLU A 63 -11.570 9.382 0.240 1.00 0.00 C ATOM 938 CG GLU A 63 -10.895 10.723 0.094 1.00 0.00 C ATOM 939 CD GLU A 63 -10.491 11.324 1.420 1.00 0.00 C ATOM 940 OE1 GLU A 63 -9.377 11.015 1.892 1.00 0.00 O ATOM 941 OE2 GLU A 63 -11.284 12.096 1.996 1.00 0.00 O ATOM 0 H GLU A 63 -9.688 8.642 -1.169 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.115 8.570 1.596 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.026 9.107 -0.711 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.377 9.466 0.968 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.011 10.613 -0.534 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.568 11.409 -0.420 1.00 0.00 H new ATOM 948 N ALA A 64 -11.671 6.259 -0.124 1.00 0.00 N ATOM 949 CA ALA A 64 -12.402 5.009 -0.016 1.00 0.00 C ATOM 950 C ALA A 64 -11.693 4.067 0.940 1.00 0.00 C ATOM 951 O ALA A 64 -12.275 3.601 1.912 1.00 0.00 O ATOM 952 CB ALA A 64 -12.547 4.363 -1.382 1.00 0.00 C ATOM 0 H ALA A 64 -11.385 6.499 -1.073 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.397 5.220 0.376 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.097 3.427 -1.285 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.089 5.035 -2.047 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.559 4.162 -1.796 1.00 0.00 H new ATOM 958 N VAL A 65 -10.409 3.851 0.683 1.00 0.00 N ATOM 959 CA VAL A 65 -9.607 2.912 1.457 1.00 0.00 C ATOM 960 C VAL A 65 -9.595 3.286 2.936 1.00 0.00 C ATOM 961 O VAL A 65 -9.666 2.421 3.811 1.00 0.00 O ATOM 962 CB VAL A 65 -8.162 2.871 0.923 1.00 0.00 C ATOM 963 CG1 VAL A 65 -7.299 1.949 1.760 1.00 0.00 C ATOM 964 CG2 VAL A 65 -8.145 2.436 -0.533 1.00 0.00 C ATOM 0 H VAL A 65 -9.896 4.319 -0.064 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.059 1.926 1.352 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.748 3.877 0.992 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.285 1.939 1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.280 2.304 2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.710 0.940 1.731 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.117 2.413 -0.894 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.583 1.442 -0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.723 3.141 -1.130 1.00 0.00 H new ATOM 974 N ARG A 66 -9.531 4.582 3.202 1.00 0.00 N ATOM 975 CA ARG A 66 -9.531 5.096 4.565 1.00 0.00 C ATOM 976 C ARG A 66 -10.820 4.711 5.292 1.00 0.00 C ATOM 977 O ARG A 66 -10.817 4.450 6.496 1.00 0.00 O ATOM 978 CB ARG A 66 -9.398 6.620 4.546 1.00 0.00 C ATOM 979 CG ARG A 66 -8.184 7.128 3.784 1.00 0.00 C ATOM 980 CD ARG A 66 -8.169 8.647 3.721 1.00 0.00 C ATOM 981 NE ARG A 66 -7.961 9.254 5.037 1.00 0.00 N ATOM 982 CZ ARG A 66 -8.438 10.448 5.398 1.00 0.00 C ATOM 983 NH1 ARG A 66 -9.114 11.194 4.532 1.00 0.00 N ATOM 984 NH2 ARG A 66 -8.209 10.915 6.618 1.00 0.00 N ATOM 0 H ARG A 66 -9.478 5.304 2.484 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.685 4.658 5.094 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.297 7.047 4.102 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.347 6.982 5.573 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.274 6.773 4.267 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.189 6.720 2.773 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.380 8.973 3.044 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.112 9.001 3.305 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.416 8.731 5.723 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.272 10.856 3.583 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.475 12.105 4.816 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.668 10.362 7.282 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.574 11.827 6.892 1.00 0.00 H new ATOM 998 N GLN A 67 -11.916 4.674 4.550 1.00 0.00 N ATOM 999 CA GLN A 67 -13.230 4.455 5.133 1.00 0.00 C ATOM 1000 C GLN A 67 -13.635 2.987 5.090 1.00 0.00 C ATOM 1001 O GLN A 67 -14.488 2.564 5.868 1.00 0.00 O ATOM 1002 CB GLN A 67 -14.267 5.322 4.430 1.00 0.00 C ATOM 1003 CG GLN A 67 -13.981 6.808 4.574 1.00 0.00 C ATOM 1004 CD GLN A 67 -15.064 7.687 3.981 1.00 0.00 C ATOM 1005 OE1 GLN A 67 -16.239 7.316 3.949 1.00 0.00 O ATOM 1006 NE2 GLN A 67 -14.680 8.866 3.516 1.00 0.00 N ATOM 0 H GLN A 67 -11.921 4.794 3.537 1.00 0.00 H new ATOM 0 HA GLN A 67 -13.179 4.743 6.183 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -14.295 5.062 3.372 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -15.254 5.104 4.838 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -13.866 7.048 5.631 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -13.031 7.037 4.090 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -13.698 9.136 3.561 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -15.367 9.504 3.113 1.00 0.00 H new ATOM 1015 N GLU A 68 -13.014 2.206 4.203 1.00 0.00 N ATOM 1016 CA GLU A 68 -13.318 0.774 4.092 1.00 0.00 C ATOM 1017 C GLU A 68 -13.120 0.075 5.429 1.00 0.00 C ATOM 1018 O GLU A 68 -13.729 -0.958 5.693 1.00 0.00 O ATOM 1019 CB GLU A 68 -12.439 0.084 3.046 1.00 0.00 C ATOM 1020 CG GLU A 68 -12.578 0.634 1.642 1.00 0.00 C ATOM 1021 CD GLU A 68 -14.021 0.699 1.176 1.00 0.00 C ATOM 1022 OE1 GLU A 68 -14.588 -0.355 0.821 1.00 0.00 O ATOM 1023 OE2 GLU A 68 -14.595 1.809 1.162 1.00 0.00 O ATOM 0 H GLU A 68 -12.301 2.537 3.553 1.00 0.00 H new ATOM 0 HA GLU A 68 -14.360 0.699 3.782 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.397 0.169 3.354 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.681 -0.979 3.031 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.143 1.633 1.603 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.007 0.011 0.954 1.00 0.00 H new ATOM 1030 N MET A 69 -12.277 0.663 6.272 1.00 0.00 N ATOM 1031 CA MET A 69 -12.005 0.125 7.604 1.00 0.00 C ATOM 1032 C MET A 69 -13.287 0.003 8.427 1.00 0.00 C ATOM 1033 O MET A 69 -13.372 -0.799 9.355 1.00 0.00 O ATOM 1034 CB MET A 69 -11.006 1.009 8.337 1.00 0.00 C ATOM 1035 CG MET A 69 -9.634 0.986 7.705 1.00 0.00 C ATOM 1036 SD MET A 69 -8.385 1.800 8.705 1.00 0.00 S ATOM 1037 CE MET A 69 -6.945 1.331 7.763 1.00 0.00 C ATOM 0 H MET A 69 -11.766 1.519 6.055 1.00 0.00 H new ATOM 0 HA MET A 69 -11.582 -0.872 7.479 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.377 2.034 8.353 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.930 0.682 9.374 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.337 -0.049 7.534 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.682 1.469 6.729 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.285 0.726 8.384 1.00 0.00 H new ATOM 0 HE2 MET A 69 -7.253 0.754 6.891 1.00 0.00 H new ATOM 0 HE3 MET A 69 -6.416 2.227 7.437 1.00 0.00 H new ATOM 1047 N ARG A 70 -14.274 0.824 8.083 1.00 0.00 N ATOM 1048 CA ARG A 70 -15.566 0.806 8.746 1.00 0.00 C ATOM 1049 C ARG A 70 -16.696 0.652 7.729 1.00 0.00 C ATOM 1050 O ARG A 70 -17.868 0.847 8.047 1.00 0.00 O ATOM 1051 CB ARG A 70 -15.746 2.100 9.536 1.00 0.00 C ATOM 1052 CG ARG A 70 -15.668 3.355 8.682 1.00 0.00 C ATOM 1053 CD ARG A 70 -16.017 4.600 9.479 1.00 0.00 C ATOM 1054 NE ARG A 70 -17.433 4.641 9.838 1.00 0.00 N ATOM 1055 CZ ARG A 70 -17.941 5.393 10.816 1.00 0.00 C ATOM 1056 NH1 ARG A 70 -17.144 6.109 11.599 1.00 0.00 N ATOM 1057 NH2 ARG A 70 -19.247 5.399 11.024 1.00 0.00 N ATOM 0 H ARG A 70 -14.198 1.517 7.339 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.602 -0.046 9.425 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -16.711 2.075 10.042 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -14.981 2.151 10.311 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -14.663 3.455 8.273 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -16.349 3.262 7.836 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -15.412 4.632 10.385 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -15.765 5.486 8.896 1.00 0.00 H new ATOM 0 HE ARG A 70 -18.076 4.055 9.305 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -16.134 6.087 11.456 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -17.541 6.681 12.344 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -19.859 4.831 10.438 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -19.642 5.972 11.770 1.00 0.00 H new ATOM 1203 N VAL B 79 -10.576 -3.442 4.604 1.00 0.00 N ATOM 1204 CA VAL B 79 -9.977 -3.409 3.269 1.00 0.00 C ATOM 1205 C VAL B 79 -8.633 -4.163 3.210 1.00 0.00 C ATOM 1206 O VAL B 79 -8.243 -4.673 2.155 1.00 0.00 O ATOM 1207 CB VAL B 79 -9.813 -1.939 2.783 1.00 0.00 C ATOM 1208 CG1 VAL B 79 -9.186 -1.067 3.853 1.00 0.00 C ATOM 1209 CG2 VAL B 79 -8.996 -1.852 1.505 1.00 0.00 C ATOM 0 HA VAL B 79 -10.658 -3.928 2.595 1.00 0.00 H new ATOM 0 HB VAL B 79 -10.817 -1.569 2.573 1.00 0.00 H new ATOM 0 HG11 VAL B 79 -9.086 -0.048 3.480 1.00 0.00 H new ATOM 0 HG12 VAL B 79 -9.819 -1.068 4.740 1.00 0.00 H new ATOM 0 HG13 VAL B 79 -8.201 -1.457 4.109 1.00 0.00 H new ATOM 0 HG21 VAL B 79 -8.906 -0.809 1.201 1.00 0.00 H new ATOM 0 HG22 VAL B 79 -8.003 -2.266 1.679 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -9.492 -2.418 0.717 1.00 0.00 H new ATOM 1219 N ALA B 80 -7.949 -4.274 4.350 1.00 0.00 N ATOM 1220 CA ALA B 80 -6.657 -4.967 4.425 1.00 0.00 C ATOM 1221 C ALA B 80 -6.734 -6.402 3.902 1.00 0.00 C ATOM 1222 O ALA B 80 -5.746 -6.944 3.405 1.00 0.00 O ATOM 1223 CB ALA B 80 -6.132 -4.950 5.850 1.00 0.00 C ATOM 0 H ALA B 80 -8.269 -3.891 5.240 1.00 0.00 H new ATOM 0 HA ALA B 80 -5.964 -4.428 3.779 1.00 0.00 H new ATOM 0 HB1 ALA B 80 -5.173 -5.467 5.891 1.00 0.00 H new ATOM 0 HB2 ALA B 80 -6.002 -3.919 6.178 1.00 0.00 H new ATOM 0 HB3 ALA B 80 -6.843 -5.452 6.506 1.00 0.00 H new ATOM 1229 N GLN B 81 -7.907 -7.011 3.995 1.00 0.00 N ATOM 1230 CA GLN B 81 -8.099 -8.375 3.514 1.00 0.00 C ATOM 1231 C GLN B 81 -8.052 -8.412 1.990 1.00 0.00 C ATOM 1232 O GLN B 81 -7.586 -9.384 1.381 1.00 0.00 O ATOM 1233 CB GLN B 81 -9.450 -8.921 3.992 1.00 0.00 C ATOM 1234 CG GLN B 81 -10.641 -8.292 3.273 1.00 0.00 C ATOM 1235 CD GLN B 81 -11.983 -8.843 3.708 1.00 0.00 C ATOM 1236 OE1 GLN B 81 -12.896 -8.971 2.900 1.00 0.00 O ATOM 1237 NE2 GLN B 81 -12.130 -9.140 4.982 1.00 0.00 N ATOM 0 H GLN B 81 -8.741 -6.584 4.399 1.00 0.00 H new ATOM 0 HA GLN B 81 -7.296 -8.995 3.914 1.00 0.00 H new ATOM 0 HB2 GLN B 81 -9.472 -10.000 3.842 1.00 0.00 H new ATOM 0 HB3 GLN B 81 -9.547 -8.746 5.063 1.00 0.00 H new ATOM 0 HG2 GLN B 81 -10.629 -7.216 3.444 1.00 0.00 H new ATOM 0 HG3 GLN B 81 -10.527 -8.445 2.200 1.00 0.00 H new ATOM 0 HE21 GLN B 81 -11.349 -9.021 5.627 1.00 0.00 H new ATOM 0 HE22 GLN B 81 -13.025 -9.489 5.324 1.00 0.00 H new ATOM 1246 N ARG B 82 -8.525 -7.337 1.387 1.00 0.00 N ATOM 1247 CA ARG B 82 -8.651 -7.236 -0.040 1.00 0.00 C ATOM 1248 C ARG B 82 -7.278 -6.993 -0.649 1.00 0.00 C ATOM 1249 O ARG B 82 -7.016 -7.339 -1.805 1.00 0.00 O ATOM 1250 CB ARG B 82 -9.628 -6.099 -0.343 1.00 0.00 C ATOM 1251 CG ARG B 82 -9.711 -5.707 -1.794 1.00 0.00 C ATOM 1252 CD ARG B 82 -10.362 -6.772 -2.655 1.00 0.00 C ATOM 1253 NE ARG B 82 -9.384 -7.654 -3.287 1.00 0.00 N ATOM 1254 CZ ARG B 82 -9.656 -8.392 -4.361 1.00 0.00 C ATOM 1255 NH1 ARG B 82 -10.859 -8.340 -4.916 1.00 0.00 N ATOM 1256 NH2 ARG B 82 -8.721 -9.167 -4.895 1.00 0.00 N ATOM 0 H ARG B 82 -8.834 -6.504 1.888 1.00 0.00 H new ATOM 0 HA ARG B 82 -9.039 -8.156 -0.477 1.00 0.00 H new ATOM 0 HB2 ARG B 82 -10.621 -6.392 -0.003 1.00 0.00 H new ATOM 0 HB3 ARG B 82 -9.337 -5.224 0.239 1.00 0.00 H new ATOM 0 HG2 ARG B 82 -10.276 -4.779 -1.883 1.00 0.00 H new ATOM 0 HG3 ARG B 82 -8.707 -5.506 -2.169 1.00 0.00 H new ATOM 0 HD2 ARG B 82 -11.040 -7.366 -2.042 1.00 0.00 H new ATOM 0 HD3 ARG B 82 -10.966 -6.293 -3.426 1.00 0.00 H new ATOM 0 HE ARG B 82 -8.448 -7.707 -2.886 1.00 0.00 H new ATOM 0 HH11 ARG B 82 -11.578 -7.734 -4.520 1.00 0.00 H new ATOM 0 HH12 ARG B 82 -11.066 -8.906 -5.739 1.00 0.00 H new ATOM 0 HH21 ARG B 82 -7.789 -9.199 -4.483 1.00 0.00 H new ATOM 0 HH22 ARG B 82 -8.935 -9.731 -5.718 1.00 0.00 H new ATOM 1270 N LEU B 83 -6.397 -6.439 0.169 1.00 0.00 N ATOM 1271 CA LEU B 83 -5.037 -6.140 -0.247 1.00 0.00 C ATOM 1272 C LEU B 83 -4.217 -7.415 -0.339 1.00 0.00 C ATOM 1273 O LEU B 83 -3.474 -7.608 -1.301 1.00 0.00 O ATOM 1274 CB LEU B 83 -4.371 -5.170 0.730 1.00 0.00 C ATOM 1275 CG LEU B 83 -3.796 -3.902 0.097 1.00 0.00 C ATOM 1276 CD1 LEU B 83 -3.196 -2.983 1.148 1.00 0.00 C ATOM 1277 CD2 LEU B 83 -2.759 -4.247 -0.961 1.00 0.00 C ATOM 0 H LEU B 83 -6.604 -6.185 1.135 1.00 0.00 H new ATOM 0 HA LEU B 83 -5.082 -5.672 -1.231 1.00 0.00 H new ATOM 0 HB2 LEU B 83 -5.102 -4.881 1.485 1.00 0.00 H new ATOM 0 HB3 LEU B 83 -3.568 -5.695 1.248 1.00 0.00 H new ATOM 0 HG LEU B 83 -4.618 -3.373 -0.384 1.00 0.00 H new ATOM 0 HD11 LEU B 83 -2.796 -2.091 0.666 1.00 0.00 H new ATOM 0 HD12 LEU B 83 -3.967 -2.694 1.862 1.00 0.00 H new ATOM 0 HD13 LEU B 83 -2.394 -3.503 1.671 1.00 0.00 H new ATOM 0 HD21 LEU B 83 -2.365 -3.329 -1.397 1.00 0.00 H new ATOM 0 HD22 LEU B 83 -1.946 -4.810 -0.503 1.00 0.00 H new ATOM 0 HD23 LEU B 83 -3.223 -4.849 -1.742 1.00 0.00 H new ATOM 1289 N MET B 84 -4.373 -8.291 0.660 1.00 0.00 N ATOM 1290 CA MET B 84 -3.623 -9.548 0.699 1.00 0.00 C ATOM 1291 C MET B 84 -3.800 -10.312 -0.597 1.00 0.00 C ATOM 1292 O MET B 84 -2.830 -10.742 -1.226 1.00 0.00 O ATOM 1293 CB MET B 84 -4.096 -10.428 1.854 1.00 0.00 C ATOM 1294 CG MET B 84 -3.910 -9.804 3.217 1.00 0.00 C ATOM 1295 SD MET B 84 -4.488 -10.873 4.543 1.00 0.00 S ATOM 1296 CE MET B 84 -4.060 -9.877 5.960 1.00 0.00 C ATOM 0 H MET B 84 -5.008 -8.153 1.446 1.00 0.00 H new ATOM 0 HA MET B 84 -2.571 -9.299 0.840 1.00 0.00 H new ATOM 0 HB2 MET B 84 -5.152 -10.659 1.712 1.00 0.00 H new ATOM 0 HB3 MET B 84 -3.555 -11.374 1.822 1.00 0.00 H new ATOM 0 HG2 MET B 84 -2.855 -9.578 3.370 1.00 0.00 H new ATOM 0 HG3 MET B 84 -4.448 -8.857 3.257 1.00 0.00 H new ATOM 0 HE1 MET B 84 -4.352 -10.397 6.872 1.00 0.00 H new ATOM 0 HE2 MET B 84 -2.984 -9.703 5.971 1.00 0.00 H new ATOM 0 HE3 MET B 84 -4.582 -8.922 5.904 1.00 0.00 H new ATOM 1306 N GLN B 85 -5.054 -10.465 -0.992 1.00 0.00 N ATOM 1307 CA GLN B 85 -5.389 -11.188 -2.205 1.00 0.00 C ATOM 1308 C GLN B 85 -4.828 -10.471 -3.427 1.00 0.00 C ATOM 1309 O GLN B 85 -4.146 -11.080 -4.245 1.00 0.00 O ATOM 1310 CB GLN B 85 -6.909 -11.320 -2.325 1.00 0.00 C ATOM 1311 CG GLN B 85 -7.557 -11.976 -1.118 1.00 0.00 C ATOM 1312 CD GLN B 85 -7.245 -13.456 -1.009 1.00 0.00 C ATOM 1313 OE1 GLN B 85 -7.986 -14.292 -1.521 1.00 0.00 O ATOM 1314 NE2 GLN B 85 -6.152 -13.791 -0.341 1.00 0.00 N ATOM 0 H GLN B 85 -5.859 -10.096 -0.486 1.00 0.00 H new ATOM 0 HA GLN B 85 -4.945 -12.182 -2.155 1.00 0.00 H new ATOM 0 HB2 GLN B 85 -7.342 -10.330 -2.466 1.00 0.00 H new ATOM 0 HB3 GLN B 85 -7.146 -11.902 -3.216 1.00 0.00 H new ATOM 0 HG2 GLN B 85 -7.220 -11.472 -0.213 1.00 0.00 H new ATOM 0 HG3 GLN B 85 -8.637 -11.841 -1.174 1.00 0.00 H new ATOM 0 HE21 GLN B 85 -5.563 -13.066 0.069 1.00 0.00 H new ATOM 0 HE22 GLN B 85 -5.899 -14.774 -0.237 1.00 0.00 H new ATOM 1323 N HIS B 86 -5.071 -9.163 -3.500 1.00 0.00 N ATOM 1324 CA HIS B 86 -4.742 -8.368 -4.687 1.00 0.00 C ATOM 1325 C HIS B 86 -3.263 -8.485 -5.059 1.00 0.00 C ATOM 1326 O HIS B 86 -2.902 -8.451 -6.237 1.00 0.00 O ATOM 1327 CB HIS B 86 -5.110 -6.902 -4.444 1.00 0.00 C ATOM 1328 CG HIS B 86 -4.980 -6.026 -5.656 1.00 0.00 C ATOM 1329 ND1 HIS B 86 -5.954 -5.942 -6.627 1.00 0.00 N ATOM 1330 CD2 HIS B 86 -3.993 -5.182 -6.045 1.00 0.00 C ATOM 1331 CE1 HIS B 86 -5.576 -5.092 -7.557 1.00 0.00 C ATOM 1332 NE2 HIS B 86 -4.392 -4.615 -7.230 1.00 0.00 N ATOM 0 H HIS B 86 -5.498 -8.626 -2.745 1.00 0.00 H new ATOM 0 HA HIS B 86 -5.321 -8.759 -5.524 1.00 0.00 H new ATOM 0 HB2 HIS B 86 -6.137 -6.852 -4.082 1.00 0.00 H new ATOM 0 HB3 HIS B 86 -4.473 -6.506 -3.653 1.00 0.00 H new ATOM 0 HD2 HIS B 86 -3.068 -4.992 -5.522 1.00 0.00 H new ATOM 0 HE1 HIS B 86 -6.141 -4.829 -8.439 1.00 0.00 H new ATOM 0 HE2 HIS B 86 -3.858 -3.934 -7.770 1.00 0.00 H new ATOM 1341 N LEU B 87 -2.412 -8.618 -4.056 1.00 0.00 N ATOM 1342 CA LEU B 87 -0.983 -8.756 -4.284 1.00 0.00 C ATOM 1343 C LEU B 87 -0.637 -10.191 -4.665 1.00 0.00 C ATOM 1344 O LEU B 87 0.005 -10.442 -5.689 1.00 0.00 O ATOM 1345 CB LEU B 87 -0.210 -8.349 -3.031 1.00 0.00 C ATOM 1346 CG LEU B 87 -0.443 -6.913 -2.568 1.00 0.00 C ATOM 1347 CD1 LEU B 87 0.208 -6.689 -1.217 1.00 0.00 C ATOM 1348 CD2 LEU B 87 0.098 -5.928 -3.593 1.00 0.00 C ATOM 0 H LEU B 87 -2.686 -8.633 -3.074 1.00 0.00 H new ATOM 0 HA LEU B 87 -0.700 -8.100 -5.107 1.00 0.00 H new ATOM 0 HB2 LEU B 87 -0.480 -9.025 -2.220 1.00 0.00 H new ATOM 0 HB3 LEU B 87 0.855 -8.486 -3.219 1.00 0.00 H new ATOM 0 HG LEU B 87 -1.516 -6.747 -2.469 1.00 0.00 H new ATOM 0 HD11 LEU B 87 0.036 -5.662 -0.896 1.00 0.00 H new ATOM 0 HD12 LEU B 87 -0.223 -7.374 -0.487 1.00 0.00 H new ATOM 0 HD13 LEU B 87 1.280 -6.870 -1.295 1.00 0.00 H new ATOM 0 HD21 LEU B 87 -0.077 -4.909 -3.246 1.00 0.00 H new ATOM 0 HD22 LEU B 87 1.168 -6.089 -3.722 1.00 0.00 H new ATOM 0 HD23 LEU B 87 -0.409 -6.079 -4.546 1.00 0.00 H new ATOM 1360 N ALA B 88 -1.090 -11.124 -3.845 1.00 0.00 N ATOM 1361 CA ALA B 88 -0.796 -12.542 -4.034 1.00 0.00 C ATOM 1362 C ALA B 88 -1.294 -13.071 -5.382 1.00 0.00 C ATOM 1363 O ALA B 88 -0.765 -14.054 -5.902 1.00 0.00 O ATOM 1364 CB ALA B 88 -1.402 -13.343 -2.897 1.00 0.00 C ATOM 0 H ALA B 88 -1.671 -10.925 -3.030 1.00 0.00 H new ATOM 0 HA ALA B 88 0.288 -12.656 -4.032 1.00 0.00 H new ATOM 0 HB1 ALA B 88 -1.182 -14.401 -3.039 1.00 0.00 H new ATOM 0 HB2 ALA B 88 -0.978 -13.008 -1.950 1.00 0.00 H new ATOM 0 HB3 ALA B 88 -2.482 -13.196 -2.883 1.00 0.00 H new ATOM 1370 N GLU B 89 -2.310 -12.420 -5.943 1.00 0.00 N ATOM 1371 CA GLU B 89 -2.876 -12.828 -7.227 1.00 0.00 C ATOM 1372 C GLU B 89 -1.877 -12.678 -8.376 1.00 0.00 C ATOM 1373 O GLU B 89 -2.001 -13.355 -9.396 1.00 0.00 O ATOM 1374 CB GLU B 89 -4.133 -12.025 -7.548 1.00 0.00 C ATOM 1375 CG GLU B 89 -5.303 -12.314 -6.625 1.00 0.00 C ATOM 1376 CD GLU B 89 -6.502 -11.429 -6.902 1.00 0.00 C ATOM 1377 OE1 GLU B 89 -6.561 -10.305 -6.362 1.00 0.00 O ATOM 1378 OE2 GLU B 89 -7.391 -11.849 -7.671 1.00 0.00 O ATOM 0 H GLU B 89 -2.760 -11.605 -5.527 1.00 0.00 H new ATOM 0 HA GLU B 89 -3.129 -13.884 -7.130 1.00 0.00 H new ATOM 0 HB2 GLU B 89 -3.896 -10.962 -7.496 1.00 0.00 H new ATOM 0 HB3 GLU B 89 -4.433 -12.234 -8.575 1.00 0.00 H new ATOM 0 HG2 GLU B 89 -5.595 -13.358 -6.733 1.00 0.00 H new ATOM 0 HG3 GLU B 89 -4.987 -12.177 -5.591 1.00 0.00 H new ATOM 1385 N HIS B 90 -0.892 -11.801 -8.217 1.00 0.00 N ATOM 1386 CA HIS B 90 0.032 -11.515 -9.312 1.00 0.00 C ATOM 1387 C HIS B 90 1.393 -12.176 -9.100 1.00 0.00 C ATOM 1388 O HIS B 90 1.715 -13.169 -9.751 1.00 0.00 O ATOM 1389 CB HIS B 90 0.194 -10.005 -9.511 1.00 0.00 C ATOM 1390 CG HIS B 90 -1.073 -9.311 -9.910 1.00 0.00 C ATOM 1391 ND1 HIS B 90 -1.760 -9.594 -11.070 1.00 0.00 N ATOM 1392 CD2 HIS B 90 -1.782 -8.341 -9.286 1.00 0.00 C ATOM 1393 CE1 HIS B 90 -2.834 -8.830 -11.141 1.00 0.00 C ATOM 1394 NE2 HIS B 90 -2.874 -8.059 -10.073 1.00 0.00 N ATOM 0 H HIS B 90 -0.713 -11.283 -7.357 1.00 0.00 H new ATOM 0 HA HIS B 90 -0.402 -11.941 -10.216 1.00 0.00 H new ATOM 0 HB2 HIS B 90 0.564 -9.563 -8.586 1.00 0.00 H new ATOM 0 HB3 HIS B 90 0.951 -9.827 -10.275 1.00 0.00 H new ATOM 0 HD2 HIS B 90 -1.535 -7.875 -8.344 1.00 0.00 H new ATOM 0 HE1 HIS B 90 -3.559 -8.836 -11.941 1.00 0.00 H new ATOM 0 HE2 HIS B 90 -3.595 -7.368 -9.865 1.00 0.00 H new ATOM 1403 N GLY B 91 2.190 -11.632 -8.187 1.00 0.00 N ATOM 1404 CA GLY B 91 3.502 -12.201 -7.923 1.00 0.00 C ATOM 1405 C GLY B 91 4.415 -11.243 -7.186 1.00 0.00 C ATOM 1406 O GLY B 91 5.584 -11.095 -7.537 1.00 0.00 O ATOM 0 H GLY B 91 1.955 -10.812 -7.627 1.00 0.00 H new ATOM 0 HA2 GLY B 91 3.387 -13.112 -7.336 1.00 0.00 H new ATOM 0 HA3 GLY B 91 3.967 -12.486 -8.867 1.00 0.00 H new ATOM 1410 N ILE B 92 3.872 -10.594 -6.169 1.00 0.00 N ATOM 1411 CA ILE B 92 4.617 -9.643 -5.361 1.00 0.00 C ATOM 1412 C ILE B 92 5.812 -10.290 -4.665 1.00 0.00 C ATOM 1413 O ILE B 92 5.717 -11.397 -4.128 1.00 0.00 O ATOM 1414 CB ILE B 92 3.676 -8.986 -4.317 1.00 0.00 C ATOM 1415 CG1 ILE B 92 2.985 -7.781 -4.942 1.00 0.00 C ATOM 1416 CG2 ILE B 92 4.411 -8.591 -3.040 1.00 0.00 C ATOM 1417 CD1 ILE B 92 1.986 -8.134 -6.016 1.00 0.00 C ATOM 0 H ILE B 92 2.901 -10.712 -5.880 1.00 0.00 H new ATOM 0 HA ILE B 92 5.010 -8.878 -6.030 1.00 0.00 H new ATOM 0 HB ILE B 92 2.928 -9.724 -4.027 1.00 0.00 H new ATOM 0 HG12 ILE B 92 2.477 -7.220 -4.158 1.00 0.00 H new ATOM 0 HG13 ILE B 92 3.742 -7.121 -5.367 1.00 0.00 H new ATOM 0 HG21 ILE B 92 3.709 -8.136 -2.342 1.00 0.00 H new ATOM 0 HG22 ILE B 92 4.852 -9.478 -2.585 1.00 0.00 H new ATOM 0 HG23 ILE B 92 5.199 -7.877 -3.280 1.00 0.00 H new ATOM 0 HD11 ILE B 92 1.538 -7.222 -6.410 1.00 0.00 H new ATOM 0 HD12 ILE B 92 2.491 -8.668 -6.821 1.00 0.00 H new ATOM 0 HD13 ILE B 92 1.206 -8.768 -5.594 1.00 0.00 H new ATOM 1429 N GLN B 93 6.938 -9.593 -4.706 1.00 0.00 N ATOM 1430 CA GLN B 93 8.113 -9.972 -3.938 1.00 0.00 C ATOM 1431 C GLN B 93 8.038 -9.280 -2.583 1.00 0.00 C ATOM 1432 O GLN B 93 8.339 -8.093 -2.466 1.00 0.00 O ATOM 1433 CB GLN B 93 9.387 -9.570 -4.681 1.00 0.00 C ATOM 1434 CG GLN B 93 9.503 -10.193 -6.064 1.00 0.00 C ATOM 1435 CD GLN B 93 10.818 -9.865 -6.739 1.00 0.00 C ATOM 1436 OE1 GLN B 93 11.809 -10.572 -6.559 1.00 0.00 O ATOM 1437 NE2 GLN B 93 10.845 -8.798 -7.521 1.00 0.00 N ATOM 0 H GLN B 93 7.062 -8.752 -5.270 1.00 0.00 H new ATOM 0 HA GLN B 93 8.139 -11.053 -3.800 1.00 0.00 H new ATOM 0 HB2 GLN B 93 9.416 -8.485 -4.776 1.00 0.00 H new ATOM 0 HB3 GLN B 93 10.253 -9.861 -4.086 1.00 0.00 H new ATOM 0 HG2 GLN B 93 9.401 -11.275 -5.981 1.00 0.00 H new ATOM 0 HG3 GLN B 93 8.681 -9.842 -6.687 1.00 0.00 H new ATOM 0 HE21 GLN B 93 10.003 -8.236 -7.646 1.00 0.00 H new ATOM 0 HE22 GLN B 93 11.708 -8.538 -7.999 1.00 0.00 H new