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: A 48 THR OG1 : rot 69:sc= -0.166! USER MOD Set 1.2: B 93 GLN : amide:sc= 0.229 K(o=0.063,f=-7.7!) USER MOD Set 2.1: A 31 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 69 MET CE :methyl 169:sc= -2.75 (180deg=-2.91!) USER MOD Set 3.1: A 23 ASN : amide:sc= 0.326 K(o=0.63,f=0.061) USER MOD Set 3.2: A 24 ASN :FLIP amide:sc= 0.303 F(o=0.061,f=0.63) USER MOD Single : A 17 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 18 ASN :FLIP amide:sc= -0.0874 F(o=-1.7!,f=-0.087) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.171 USER MOD Single : A 42 GLN : amide:sc= 0.789 K(o=0.79,f=-4.6!) USER MOD Single : A 44 THR OG1 : rot 11:sc= 0.383 USER MOD Single : A 49 SER OG : rot 37:sc= 0.512 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= 0.322 K(o=0.32,f=-0.92) USER MOD Single : A 67 GLN : amide:sc= -0.277 K(o=-0.28,f=-2.2) USER MOD Single : B 81 GLN : amide:sc= -0.015 K(o=-0.015,f=-1.1) USER MOD Single : B 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 85 GLN : amide:sc= -0.0212 X(o=-0.021,f=-0.081) USER MOD Single : B 86 HIS : no HE2:sc= -0.214 K(o=-0.21,f=-3!) USER MOD Single : B 90 HIS : no HD1:sc= -3.61! C(o=-3.6!,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 168 N VAL A 12 -0.270 10.894 -2.701 1.00 0.00 N ATOM 169 CA VAL A 12 -0.221 9.972 -1.564 1.00 0.00 C ATOM 170 C VAL A 12 1.208 9.744 -1.049 1.00 0.00 C ATOM 171 O VAL A 12 1.478 8.781 -0.331 1.00 0.00 O ATOM 172 CB VAL A 12 -0.868 8.626 -1.938 1.00 0.00 C ATOM 173 CG1 VAL A 12 -1.290 7.860 -0.698 1.00 0.00 C ATOM 174 CG2 VAL A 12 -2.062 8.848 -2.855 1.00 0.00 C ATOM 0 HA VAL A 12 -0.785 10.437 -0.755 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.125 8.030 -2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.744 6.914 -0.992 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.417 7.666 -0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.013 8.450 -0.135 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.508 7.887 -3.110 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.801 9.468 -2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.733 9.349 -3.766 1.00 0.00 H new ATOM 184 N GLY A 13 2.116 10.648 -1.399 1.00 0.00 N ATOM 185 CA GLY A 13 3.510 10.491 -1.020 1.00 0.00 C ATOM 186 C GLY A 13 4.147 9.275 -1.666 1.00 0.00 C ATOM 187 O GLY A 13 5.154 8.755 -1.182 1.00 0.00 O ATOM 0 H GLY A 13 1.912 11.489 -1.939 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.065 11.385 -1.306 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.582 10.404 0.064 1.00 0.00 H new ATOM 191 N TRP A 14 3.563 8.830 -2.769 1.00 0.00 N ATOM 192 CA TRP A 14 4.031 7.642 -3.463 1.00 0.00 C ATOM 193 C TRP A 14 4.929 8.020 -4.636 1.00 0.00 C ATOM 194 O TRP A 14 4.609 8.925 -5.414 1.00 0.00 O ATOM 195 CB TRP A 14 2.839 6.817 -3.957 1.00 0.00 C ATOM 196 CG TRP A 14 3.235 5.572 -4.686 1.00 0.00 C ATOM 197 CD1 TRP A 14 3.576 4.376 -4.131 1.00 0.00 C ATOM 198 CD2 TRP A 14 3.328 5.400 -6.104 1.00 0.00 C ATOM 199 NE1 TRP A 14 3.875 3.468 -5.113 1.00 0.00 N ATOM 200 CE2 TRP A 14 3.730 4.072 -6.336 1.00 0.00 C ATOM 201 CE3 TRP A 14 3.107 6.239 -7.199 1.00 0.00 C ATOM 202 CZ2 TRP A 14 3.919 3.567 -7.618 1.00 0.00 C ATOM 203 CZ3 TRP A 14 3.294 5.737 -8.471 1.00 0.00 C ATOM 204 CH2 TRP A 14 3.694 4.411 -8.672 1.00 0.00 C ATOM 0 H TRP A 14 2.757 9.279 -3.205 1.00 0.00 H new ATOM 0 HA TRP A 14 4.613 7.042 -2.764 1.00 0.00 H new ATOM 0 HB2 TRP A 14 2.216 6.547 -3.104 1.00 0.00 H new ATOM 0 HB3 TRP A 14 2.228 7.435 -4.615 1.00 0.00 H new ATOM 0 HD1 TRP A 14 3.606 4.173 -3.071 1.00 0.00 H new ATOM 0 HE1 TRP A 14 4.159 2.500 -4.959 1.00 0.00 H new ATOM 0 HE3 TRP A 14 2.795 7.263 -7.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.232 2.546 -7.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 3.129 6.378 -9.325 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.828 4.046 -9.680 1.00 0.00 H new ATOM 215 N ASP A 15 6.046 7.323 -4.754 1.00 0.00 N ATOM 216 CA ASP A 15 6.981 7.543 -5.845 1.00 0.00 C ATOM 217 C ASP A 15 7.086 6.274 -6.695 1.00 0.00 C ATOM 218 O ASP A 15 7.170 5.176 -6.154 1.00 0.00 O ATOM 219 CB ASP A 15 8.350 7.940 -5.292 1.00 0.00 C ATOM 220 CG ASP A 15 9.207 8.654 -6.311 1.00 0.00 C ATOM 221 OD1 ASP A 15 8.948 9.843 -6.588 1.00 0.00 O ATOM 222 OD2 ASP A 15 10.150 8.033 -6.840 1.00 0.00 O ATOM 0 H ASP A 15 6.330 6.593 -4.101 1.00 0.00 H new ATOM 0 HA ASP A 15 6.619 8.356 -6.474 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.213 8.584 -4.423 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.871 7.047 -4.948 1.00 0.00 H new ATOM 227 N PRO A 16 7.081 6.438 -8.032 1.00 0.00 N ATOM 228 CA PRO A 16 7.027 5.356 -9.027 1.00 0.00 C ATOM 229 C PRO A 16 7.648 4.020 -8.598 1.00 0.00 C ATOM 230 O PRO A 16 6.934 3.042 -8.387 1.00 0.00 O ATOM 231 CB PRO A 16 7.812 5.954 -10.187 1.00 0.00 C ATOM 232 CG PRO A 16 7.552 7.425 -10.115 1.00 0.00 C ATOM 233 CD PRO A 16 7.125 7.744 -8.700 1.00 0.00 C ATOM 0 HA PRO A 16 5.994 5.078 -9.237 1.00 0.00 H new ATOM 0 HB2 PRO A 16 8.876 5.737 -10.097 1.00 0.00 H new ATOM 0 HB3 PRO A 16 7.482 5.541 -11.141 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.448 7.986 -10.380 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.775 7.712 -10.824 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.831 8.416 -8.213 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.152 8.235 -8.679 1.00 0.00 H new ATOM 241 N GLN A 17 8.971 3.974 -8.491 1.00 0.00 N ATOM 242 CA GLN A 17 9.660 2.723 -8.188 1.00 0.00 C ATOM 243 C GLN A 17 10.111 2.680 -6.730 1.00 0.00 C ATOM 244 O GLN A 17 10.299 1.607 -6.159 1.00 0.00 O ATOM 245 CB GLN A 17 10.857 2.532 -9.124 1.00 0.00 C ATOM 246 CG GLN A 17 11.612 1.228 -8.896 1.00 0.00 C ATOM 247 CD GLN A 17 12.745 1.011 -9.881 1.00 0.00 C ATOM 248 OE1 GLN A 17 13.351 2.093 -10.343 1.00 0.00 O flip ATOM 249 NE2 GLN A 17 13.075 -0.128 -10.219 1.00 0.00 N flip ATOM 0 H GLN A 17 9.585 4.780 -8.608 1.00 0.00 H new ATOM 0 HA GLN A 17 8.957 1.905 -8.346 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.508 2.564 -10.156 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.545 3.367 -8.994 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.014 1.221 -7.883 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.913 0.394 -8.967 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.582 -0.936 -9.839 1.00 0.00 H new ATOM 0 HE22 GLN A 17 13.841 -0.262 -10.878 1.00 0.00 H new ATOM 258 N ASN A 18 10.281 3.849 -6.129 1.00 0.00 N ATOM 259 CA ASN A 18 10.761 3.926 -4.757 1.00 0.00 C ATOM 260 C ASN A 18 9.663 3.515 -3.780 1.00 0.00 C ATOM 261 O ASN A 18 9.941 2.967 -2.715 1.00 0.00 O ATOM 262 CB ASN A 18 11.277 5.329 -4.436 1.00 0.00 C ATOM 263 CG ASN A 18 12.103 5.371 -3.161 1.00 0.00 C ATOM 264 OD1 ASN A 18 12.782 4.271 -2.852 1.00 0.00 O flip ATOM 265 ND2 ASN A 18 12.143 6.384 -2.464 1.00 0.00 N flip ATOM 0 H ASN A 18 10.095 4.752 -6.566 1.00 0.00 H new ATOM 0 HA ASN A 18 11.593 3.230 -4.649 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.882 5.689 -5.268 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.431 6.010 -4.339 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.608 7.210 -2.733 1.00 0.00 H new ATOM 0 HD22 ASN A 18 12.711 6.398 -1.617 1.00 0.00 H new ATOM 272 N GLY A 19 8.419 3.774 -4.155 1.00 0.00 N ATOM 273 CA GLY A 19 7.296 3.307 -3.375 1.00 0.00 C ATOM 274 C GLY A 19 6.690 4.376 -2.495 1.00 0.00 C ATOM 275 O GLY A 19 6.778 5.569 -2.794 1.00 0.00 O ATOM 0 H GLY A 19 8.168 4.302 -4.991 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.530 2.924 -4.049 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.618 2.473 -2.751 1.00 0.00 H new ATOM 279 N PHE A 20 6.070 3.939 -1.409 1.00 0.00 N ATOM 280 CA PHE A 20 5.417 4.839 -0.471 1.00 0.00 C ATOM 281 C PHE A 20 6.419 5.365 0.540 1.00 0.00 C ATOM 282 O PHE A 20 7.328 4.644 0.958 1.00 0.00 O ATOM 283 CB PHE A 20 4.290 4.125 0.290 1.00 0.00 C ATOM 284 CG PHE A 20 3.085 3.779 -0.538 1.00 0.00 C ATOM 285 CD1 PHE A 20 2.159 4.750 -0.879 1.00 0.00 C ATOM 286 CD2 PHE A 20 2.891 2.484 -0.994 1.00 0.00 C ATOM 287 CE1 PHE A 20 1.061 4.437 -1.655 1.00 0.00 C ATOM 288 CE2 PHE A 20 1.795 2.166 -1.772 1.00 0.00 C ATOM 289 CZ PHE A 20 0.836 3.133 -2.036 1.00 0.00 C ATOM 0 H PHE A 20 6.006 2.954 -1.154 1.00 0.00 H new ATOM 0 HA PHE A 20 4.997 5.663 -1.049 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.689 3.208 0.724 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.973 4.759 1.118 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.297 5.764 -0.534 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.605 1.715 -0.738 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.378 5.215 -1.963 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.685 1.169 -2.173 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.082 2.865 -2.538 1.00 0.00 H new ATOM 299 N ASP A 21 6.252 6.618 0.930 1.00 0.00 N ATOM 300 CA ASP A 21 7.053 7.187 2.001 1.00 0.00 C ATOM 301 C ASP A 21 6.606 6.574 3.322 1.00 0.00 C ATOM 302 O ASP A 21 5.758 7.125 4.015 1.00 0.00 O ATOM 303 CB ASP A 21 6.898 8.711 2.046 1.00 0.00 C ATOM 304 CG ASP A 21 7.951 9.395 2.903 1.00 0.00 C ATOM 305 OD1 ASP A 21 8.211 8.910 4.026 1.00 0.00 O ATOM 306 OD2 ASP A 21 8.539 10.404 2.463 1.00 0.00 O ATOM 0 H ASP A 21 5.571 7.259 0.522 1.00 0.00 H new ATOM 0 HA ASP A 21 8.105 6.964 1.823 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.952 9.105 1.031 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.909 8.958 2.431 1.00 0.00 H new ATOM 311 N VAL A 22 7.166 5.416 3.642 1.00 0.00 N ATOM 312 CA VAL A 22 6.774 4.659 4.826 1.00 0.00 C ATOM 313 C VAL A 22 7.049 5.440 6.113 1.00 0.00 C ATOM 314 O VAL A 22 6.389 5.232 7.132 1.00 0.00 O ATOM 315 CB VAL A 22 7.492 3.288 4.860 1.00 0.00 C ATOM 316 CG1 VAL A 22 9.001 3.459 4.953 1.00 0.00 C ATOM 317 CG2 VAL A 22 6.971 2.423 5.997 1.00 0.00 C ATOM 0 H VAL A 22 7.902 4.975 3.091 1.00 0.00 H new ATOM 0 HA VAL A 22 5.699 4.490 4.765 1.00 0.00 H new ATOM 0 HB VAL A 22 7.271 2.777 3.923 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.478 2.479 4.975 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.358 4.017 4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.250 4.004 5.863 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.494 1.467 5.996 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.143 2.929 6.947 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.903 2.253 5.864 1.00 0.00 H new ATOM 327 N ASN A 23 7.999 6.360 6.044 1.00 0.00 N ATOM 328 CA ASN A 23 8.356 7.177 7.194 1.00 0.00 C ATOM 329 C ASN A 23 7.290 8.243 7.431 1.00 0.00 C ATOM 330 O ASN A 23 6.973 8.580 8.571 1.00 0.00 O ATOM 331 CB ASN A 23 9.728 7.828 6.977 1.00 0.00 C ATOM 332 CG ASN A 23 10.165 8.700 8.138 1.00 0.00 C ATOM 333 OD1 ASN A 23 10.764 8.219 9.101 1.00 0.00 O ATOM 334 ND2 ASN A 23 9.882 9.989 8.048 1.00 0.00 N ATOM 0 H ASN A 23 8.538 6.560 5.201 1.00 0.00 H new ATOM 0 HA ASN A 23 8.412 6.539 8.076 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.472 7.048 6.817 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.698 8.431 6.069 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.162 10.626 8.794 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.384 10.346 7.233 1.00 0.00 H new ATOM 341 N ASN A 24 6.734 8.763 6.346 1.00 0.00 N ATOM 342 CA ASN A 24 5.699 9.783 6.423 1.00 0.00 C ATOM 343 C ASN A 24 4.396 9.262 5.833 1.00 0.00 C ATOM 344 O ASN A 24 3.704 9.966 5.093 1.00 0.00 O ATOM 345 CB ASN A 24 6.133 11.047 5.683 1.00 0.00 C ATOM 346 CG ASN A 24 7.426 11.628 6.219 1.00 0.00 C ATOM 347 OD1 ASN A 24 8.543 11.250 5.614 1.00 0.00 O flip ATOM 348 ND2 ASN A 24 7.424 12.406 7.174 1.00 0.00 N flip ATOM 0 H ASN A 24 6.985 8.492 5.395 1.00 0.00 H new ATOM 0 HA ASN A 24 5.541 10.028 7.473 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.254 10.819 4.624 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.345 11.796 5.759 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.543 12.673 7.613 1.00 0.00 H new ATOM 0 HD22 ASN A 24 8.304 12.784 7.526 1.00 0.00 H new ATOM 355 N LEU A 25 4.072 8.024 6.168 1.00 0.00 N ATOM 356 CA LEU A 25 2.867 7.380 5.670 1.00 0.00 C ATOM 357 C LEU A 25 1.622 8.063 6.209 1.00 0.00 C ATOM 358 O LEU A 25 1.582 8.490 7.365 1.00 0.00 O ATOM 359 CB LEU A 25 2.861 5.902 6.071 1.00 0.00 C ATOM 360 CG LEU A 25 3.273 4.918 4.984 1.00 0.00 C ATOM 361 CD1 LEU A 25 3.376 3.518 5.562 1.00 0.00 C ATOM 362 CD2 LEU A 25 2.282 4.938 3.837 1.00 0.00 C ATOM 0 H LEU A 25 4.632 7.440 6.789 1.00 0.00 H new ATOM 0 HA LEU A 25 2.861 7.462 4.583 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.529 5.774 6.923 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.858 5.641 6.410 1.00 0.00 H new ATOM 0 HG LEU A 25 4.248 5.217 4.599 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.671 2.821 4.777 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.122 3.506 6.357 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.409 3.220 5.967 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.596 4.228 3.072 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.294 4.662 4.205 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.242 5.939 3.408 1.00 0.00 H new ATOM 374 N ASP A 26 0.618 8.190 5.353 1.00 0.00 N ATOM 375 CA ASP A 26 -0.680 8.693 5.773 1.00 0.00 C ATOM 376 C ASP A 26 -1.221 7.792 6.873 1.00 0.00 C ATOM 377 O ASP A 26 -1.194 6.569 6.746 1.00 0.00 O ATOM 378 CB ASP A 26 -1.653 8.727 4.593 1.00 0.00 C ATOM 379 CG ASP A 26 -3.004 9.295 4.982 1.00 0.00 C ATOM 380 OD1 ASP A 26 -3.845 8.532 5.498 1.00 0.00 O ATOM 381 OD2 ASP A 26 -3.220 10.513 4.777 1.00 0.00 O ATOM 0 H ASP A 26 0.678 7.951 4.363 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.570 9.711 6.148 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.226 9.327 3.789 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.784 7.718 4.203 1.00 0.00 H new ATOM 386 N PRO A 27 -1.681 8.404 7.980 1.00 0.00 N ATOM 387 CA PRO A 27 -2.113 7.691 9.193 1.00 0.00 C ATOM 388 C PRO A 27 -3.062 6.519 8.936 1.00 0.00 C ATOM 389 O PRO A 27 -3.140 5.595 9.748 1.00 0.00 O ATOM 390 CB PRO A 27 -2.827 8.775 9.998 1.00 0.00 C ATOM 391 CG PRO A 27 -2.172 10.043 9.586 1.00 0.00 C ATOM 392 CD PRO A 27 -1.798 9.868 8.139 1.00 0.00 C ATOM 0 HA PRO A 27 -1.260 7.231 9.692 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.895 8.792 9.780 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.723 8.606 11.070 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.846 10.890 9.715 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.290 10.242 10.195 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.558 10.283 7.476 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.861 10.372 7.904 1.00 0.00 H new ATOM 400 N ASP A 28 -3.785 6.554 7.822 1.00 0.00 N ATOM 401 CA ASP A 28 -4.704 5.471 7.485 1.00 0.00 C ATOM 402 C ASP A 28 -3.957 4.351 6.770 1.00 0.00 C ATOM 403 O ASP A 28 -4.045 3.191 7.164 1.00 0.00 O ATOM 404 CB ASP A 28 -5.847 5.993 6.614 1.00 0.00 C ATOM 405 CG ASP A 28 -7.017 5.036 6.554 1.00 0.00 C ATOM 406 OD1 ASP A 28 -7.016 4.143 5.690 1.00 0.00 O ATOM 407 OD2 ASP A 28 -7.947 5.190 7.378 1.00 0.00 O ATOM 0 H ASP A 28 -3.754 7.313 7.142 1.00 0.00 H new ATOM 0 HA ASP A 28 -5.128 5.073 8.407 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -6.187 6.952 7.004 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.477 6.172 5.605 1.00 0.00 H new ATOM 412 N LEU A 29 -3.207 4.707 5.729 1.00 0.00 N ATOM 413 CA LEU A 29 -2.333 3.767 5.040 1.00 0.00 C ATOM 414 C LEU A 29 -1.380 3.084 6.016 1.00 0.00 C ATOM 415 O LEU A 29 -1.190 1.867 5.970 1.00 0.00 O ATOM 416 CB LEU A 29 -1.534 4.513 3.975 1.00 0.00 C ATOM 417 CG LEU A 29 -2.218 4.669 2.619 1.00 0.00 C ATOM 418 CD1 LEU A 29 -3.588 5.305 2.750 1.00 0.00 C ATOM 419 CD2 LEU A 29 -1.341 5.493 1.699 1.00 0.00 C ATOM 0 H LEU A 29 -3.190 5.651 5.343 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.948 2.997 4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.295 5.506 4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.588 3.992 3.826 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.360 3.675 2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.042 5.399 1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.220 4.681 3.382 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.489 6.293 3.199 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.831 5.603 0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.178 6.478 2.137 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.382 4.992 1.565 1.00 0.00 H new ATOM 431 N ARG A 30 -0.804 3.880 6.909 1.00 0.00 N ATOM 432 CA ARG A 30 0.106 3.386 7.940 1.00 0.00 C ATOM 433 C ARG A 30 -0.585 2.340 8.816 1.00 0.00 C ATOM 434 O ARG A 30 0.062 1.479 9.415 1.00 0.00 O ATOM 435 CB ARG A 30 0.585 4.561 8.804 1.00 0.00 C ATOM 436 CG ARG A 30 1.495 4.175 9.960 1.00 0.00 C ATOM 437 CD ARG A 30 2.884 3.769 9.493 1.00 0.00 C ATOM 438 NE ARG A 30 3.742 3.409 10.622 1.00 0.00 N ATOM 439 CZ ARG A 30 5.069 3.270 10.552 1.00 0.00 C ATOM 440 NH1 ARG A 30 5.715 3.498 9.415 1.00 0.00 N ATOM 441 NH2 ARG A 30 5.753 2.925 11.634 1.00 0.00 N ATOM 0 H ARG A 30 -0.954 4.888 6.940 1.00 0.00 H new ATOM 0 HA ARG A 30 0.962 2.915 7.457 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.112 5.271 8.167 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.287 5.078 9.204 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.578 5.015 10.650 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.045 3.351 10.513 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.807 2.924 8.809 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.337 4.590 8.937 1.00 0.00 H new ATOM 0 HE ARG A 30 3.296 3.253 11.526 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.198 3.783 8.583 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.728 3.389 9.373 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.266 2.767 12.516 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.766 2.818 11.584 1.00 0.00 H new ATOM 455 N SER A 31 -1.903 2.420 8.873 1.00 0.00 N ATOM 456 CA SER A 31 -2.696 1.505 9.670 1.00 0.00 C ATOM 457 C SER A 31 -3.088 0.284 8.837 1.00 0.00 C ATOM 458 O SER A 31 -2.968 -0.859 9.282 1.00 0.00 O ATOM 459 CB SER A 31 -3.954 2.227 10.175 1.00 0.00 C ATOM 460 OG SER A 31 -4.511 1.569 11.300 1.00 0.00 O ATOM 0 H SER A 31 -2.450 3.118 8.370 1.00 0.00 H new ATOM 0 HA SER A 31 -2.107 1.168 10.523 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.704 3.255 10.439 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.694 2.274 9.376 1.00 0.00 H new ATOM 0 HG SER A 31 -5.309 2.052 11.600 1.00 0.00 H new ATOM 466 N LEU A 32 -3.530 0.542 7.615 1.00 0.00 N ATOM 467 CA LEU A 32 -4.097 -0.480 6.751 1.00 0.00 C ATOM 468 C LEU A 32 -3.059 -1.480 6.280 1.00 0.00 C ATOM 469 O LEU A 32 -3.234 -2.686 6.424 1.00 0.00 O ATOM 470 CB LEU A 32 -4.732 0.201 5.545 1.00 0.00 C ATOM 471 CG LEU A 32 -5.621 -0.678 4.678 1.00 0.00 C ATOM 472 CD1 LEU A 32 -4.840 -1.330 3.547 1.00 0.00 C ATOM 473 CD2 LEU A 32 -6.316 -1.738 5.522 1.00 0.00 C ATOM 0 H LEU A 32 -3.505 1.471 7.194 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.840 -1.034 7.324 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.323 1.046 5.898 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.936 0.608 4.921 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.377 -0.033 4.229 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.511 -1.949 2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.402 -0.558 2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.047 -1.951 3.963 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.947 -2.356 4.883 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.568 -2.364 6.008 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.931 -1.254 6.280 1.00 0.00 H new ATOM 485 N PHE A 33 -2.002 -0.968 5.691 1.00 0.00 N ATOM 486 CA PHE A 33 -0.977 -1.806 5.079 1.00 0.00 C ATOM 487 C PHE A 33 -0.405 -2.809 6.072 1.00 0.00 C ATOM 488 O PHE A 33 -0.127 -3.956 5.720 1.00 0.00 O ATOM 489 CB PHE A 33 0.136 -0.939 4.498 1.00 0.00 C ATOM 490 CG PHE A 33 -0.328 0.006 3.423 1.00 0.00 C ATOM 491 CD1 PHE A 33 -1.458 -0.287 2.680 1.00 0.00 C ATOM 492 CD2 PHE A 33 0.357 1.189 3.160 1.00 0.00 C ATOM 493 CE1 PHE A 33 -1.900 0.574 1.699 1.00 0.00 C ATOM 494 CE2 PHE A 33 -0.083 2.049 2.178 1.00 0.00 C ATOM 495 CZ PHE A 33 -1.158 1.752 1.433 1.00 0.00 C ATOM 0 H PHE A 33 -1.822 0.033 5.619 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.446 -2.371 4.273 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.592 -0.363 5.303 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.912 -1.586 4.089 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.000 -1.201 2.871 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.241 1.435 3.730 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.798 0.354 1.141 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.445 2.975 2.006 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.458 2.410 0.631 1.00 0.00 H new ATOM 505 N SER A 34 -0.266 -2.382 7.315 1.00 0.00 N ATOM 506 CA SER A 34 0.209 -3.254 8.375 1.00 0.00 C ATOM 507 C SER A 34 -0.777 -4.403 8.606 1.00 0.00 C ATOM 508 O SER A 34 -0.382 -5.521 8.936 1.00 0.00 O ATOM 509 CB SER A 34 0.412 -2.442 9.650 1.00 0.00 C ATOM 510 OG SER A 34 0.799 -3.266 10.738 1.00 0.00 O ATOM 0 H SER A 34 -0.477 -1.431 7.616 1.00 0.00 H new ATOM 0 HA SER A 34 1.164 -3.690 8.082 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.174 -1.681 9.480 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.511 -1.919 9.900 1.00 0.00 H new ATOM 0 HG SER A 34 0.922 -2.714 11.539 1.00 0.00 H new ATOM 516 N ARG A 35 -2.060 -4.126 8.398 1.00 0.00 N ATOM 517 CA ARG A 35 -3.102 -5.137 8.533 1.00 0.00 C ATOM 518 C ARG A 35 -3.079 -6.086 7.345 1.00 0.00 C ATOM 519 O ARG A 35 -3.476 -7.245 7.449 1.00 0.00 O ATOM 520 CB ARG A 35 -4.474 -4.478 8.618 1.00 0.00 C ATOM 521 CG ARG A 35 -4.687 -3.720 9.904 1.00 0.00 C ATOM 522 CD ARG A 35 -5.747 -2.641 9.753 1.00 0.00 C ATOM 523 NE ARG A 35 -7.091 -3.190 9.546 1.00 0.00 N ATOM 524 CZ ARG A 35 -8.113 -2.974 10.378 1.00 0.00 C ATOM 525 NH1 ARG A 35 -7.939 -2.246 11.476 1.00 0.00 N ATOM 526 NH2 ARG A 35 -9.315 -3.475 10.114 1.00 0.00 N ATOM 0 H ARG A 35 -2.404 -3.203 8.133 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.912 -5.698 9.448 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -4.596 -3.796 7.777 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.245 -5.243 8.522 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.984 -4.414 10.690 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.747 -3.265 10.218 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.749 -2.013 10.644 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.488 -1.999 8.911 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.254 -3.768 8.722 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.023 -1.850 11.686 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.722 -2.083 12.109 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.462 -4.029 9.271 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.090 -3.305 10.755 1.00 0.00 H new ATOM 540 N ALA A 36 -2.605 -5.579 6.216 1.00 0.00 N ATOM 541 CA ALA A 36 -2.605 -6.332 4.974 1.00 0.00 C ATOM 542 C ALA A 36 -1.389 -7.255 4.880 1.00 0.00 C ATOM 543 O ALA A 36 -1.347 -8.159 4.046 1.00 0.00 O ATOM 544 CB ALA A 36 -2.651 -5.372 3.791 1.00 0.00 C ATOM 0 H ALA A 36 -2.213 -4.641 6.137 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.493 -6.964 4.954 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.651 -5.940 2.861 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.557 -4.768 3.847 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.778 -4.720 3.818 1.00 0.00 H new ATOM 550 N GLY A 37 -0.399 -7.023 5.739 1.00 0.00 N ATOM 551 CA GLY A 37 0.799 -7.850 5.732 1.00 0.00 C ATOM 552 C GLY A 37 1.996 -7.118 5.174 1.00 0.00 C ATOM 553 O GLY A 37 3.125 -7.601 5.255 1.00 0.00 O ATOM 0 H GLY A 37 -0.404 -6.280 6.438 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.018 -8.178 6.748 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.616 -8.747 5.140 1.00 0.00 H new ATOM 557 N ILE A 38 1.742 -5.945 4.618 1.00 0.00 N ATOM 558 CA ILE A 38 2.775 -5.145 3.987 1.00 0.00 C ATOM 559 C ILE A 38 3.699 -4.505 5.021 1.00 0.00 C ATOM 560 O ILE A 38 3.257 -3.725 5.865 1.00 0.00 O ATOM 561 CB ILE A 38 2.143 -4.031 3.139 1.00 0.00 C ATOM 562 CG1 ILE A 38 0.961 -4.584 2.346 1.00 0.00 C ATOM 563 CG2 ILE A 38 3.179 -3.436 2.202 1.00 0.00 C ATOM 564 CD1 ILE A 38 0.008 -3.519 1.869 1.00 0.00 C ATOM 0 H ILE A 38 0.814 -5.522 4.592 1.00 0.00 H new ATOM 0 HA ILE A 38 3.360 -5.814 3.355 1.00 0.00 H new ATOM 0 HB ILE A 38 1.781 -3.244 3.800 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.338 -5.136 1.485 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.417 -5.295 2.968 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.720 -2.647 1.606 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.000 -3.019 2.785 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.562 -4.214 1.542 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.807 -3.983 1.313 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.397 -2.982 2.727 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.538 -2.821 1.221 1.00 0.00 H new ATOM 576 N SER A 39 4.975 -4.846 4.953 1.00 0.00 N ATOM 577 CA SER A 39 5.974 -4.218 5.801 1.00 0.00 C ATOM 578 C SER A 39 6.655 -3.070 5.050 1.00 0.00 C ATOM 579 O SER A 39 6.366 -2.837 3.871 1.00 0.00 O ATOM 580 CB SER A 39 6.998 -5.255 6.267 1.00 0.00 C ATOM 581 OG SER A 39 7.967 -4.678 7.127 1.00 0.00 O ATOM 0 H SER A 39 5.344 -5.555 4.319 1.00 0.00 H new ATOM 0 HA SER A 39 5.485 -3.805 6.683 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.486 -6.066 6.786 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.494 -5.693 5.401 1.00 0.00 H new ATOM 0 HG SER A 39 8.606 -5.366 7.409 1.00 0.00 H new ATOM 587 N GLU A 40 7.557 -2.365 5.731 1.00 0.00 N ATOM 588 CA GLU A 40 8.254 -1.218 5.151 1.00 0.00 C ATOM 589 C GLU A 40 8.853 -1.551 3.791 1.00 0.00 C ATOM 590 O GLU A 40 8.605 -0.865 2.802 1.00 0.00 O ATOM 591 CB GLU A 40 9.397 -0.767 6.051 1.00 0.00 C ATOM 592 CG GLU A 40 9.004 -0.261 7.421 1.00 0.00 C ATOM 593 CD GLU A 40 10.186 0.393 8.108 1.00 0.00 C ATOM 594 OE1 GLU A 40 11.320 0.258 7.590 1.00 0.00 O ATOM 595 OE2 GLU A 40 9.990 1.063 9.142 1.00 0.00 O ATOM 0 H GLU A 40 7.824 -2.571 6.694 1.00 0.00 H new ATOM 0 HA GLU A 40 7.510 -0.429 5.045 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.084 -1.603 6.178 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.947 0.022 5.538 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.188 0.456 7.329 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.636 -1.088 8.028 1.00 0.00 H new ATOM 602 N ALA A 41 9.654 -2.615 3.766 1.00 0.00 N ATOM 603 CA ALA A 41 10.418 -3.003 2.581 1.00 0.00 C ATOM 604 C ALA A 41 9.520 -3.220 1.372 1.00 0.00 C ATOM 605 O ALA A 41 9.931 -3.023 0.229 1.00 0.00 O ATOM 606 CB ALA A 41 11.213 -4.265 2.873 1.00 0.00 C ATOM 0 H ALA A 41 9.792 -3.232 4.566 1.00 0.00 H new ATOM 0 HA ALA A 41 11.099 -2.186 2.341 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.781 -4.550 1.987 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.899 -4.080 3.700 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.530 -5.071 3.142 1.00 0.00 H new ATOM 612 N GLN A 42 8.283 -3.588 1.640 1.00 0.00 N ATOM 613 CA GLN A 42 7.349 -3.933 0.581 1.00 0.00 C ATOM 614 C GLN A 42 6.704 -2.678 0.019 1.00 0.00 C ATOM 615 O GLN A 42 6.367 -2.609 -1.158 1.00 0.00 O ATOM 616 CB GLN A 42 6.287 -4.898 1.098 1.00 0.00 C ATOM 617 CG GLN A 42 6.862 -6.219 1.566 1.00 0.00 C ATOM 618 CD GLN A 42 5.809 -7.152 2.119 1.00 0.00 C ATOM 619 OE1 GLN A 42 5.505 -7.123 3.310 1.00 0.00 O ATOM 620 NE2 GLN A 42 5.259 -7.993 1.259 1.00 0.00 N ATOM 0 H GLN A 42 7.899 -3.657 2.582 1.00 0.00 H new ATOM 0 HA GLN A 42 7.898 -4.428 -0.220 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.750 -4.430 1.923 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.559 -5.085 0.309 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.370 -6.705 0.733 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.614 -6.032 2.333 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.544 -7.980 0.280 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.550 -8.655 1.575 1.00 0.00 H new ATOM 629 N LEU A 43 6.557 -1.672 0.867 1.00 0.00 N ATOM 630 CA LEU A 43 6.045 -0.388 0.427 1.00 0.00 C ATOM 631 C LEU A 43 7.103 0.345 -0.383 1.00 0.00 C ATOM 632 O LEU A 43 6.793 1.269 -1.129 1.00 0.00 O ATOM 633 CB LEU A 43 5.611 0.462 1.620 1.00 0.00 C ATOM 634 CG LEU A 43 4.408 -0.082 2.391 1.00 0.00 C ATOM 635 CD1 LEU A 43 4.155 0.741 3.640 1.00 0.00 C ATOM 636 CD2 LEU A 43 3.174 -0.088 1.506 1.00 0.00 C ATOM 0 H LEU A 43 6.785 -1.721 1.860 1.00 0.00 H new ATOM 0 HA LEU A 43 5.172 -0.563 -0.202 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.452 0.556 2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.375 1.466 1.266 1.00 0.00 H new ATOM 0 HG LEU A 43 4.628 -1.106 2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.295 0.337 4.174 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.033 0.703 4.285 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.955 1.775 3.360 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.325 -0.478 2.068 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.956 0.929 1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.354 -0.719 0.636 1.00 0.00 H new ATOM 648 N THR A 44 8.352 -0.080 -0.224 1.00 0.00 N ATOM 649 CA THR A 44 9.457 0.475 -0.991 1.00 0.00 C ATOM 650 C THR A 44 9.893 -0.489 -2.096 1.00 0.00 C ATOM 651 O THR A 44 10.962 -0.332 -2.690 1.00 0.00 O ATOM 652 CB THR A 44 10.661 0.798 -0.084 1.00 0.00 C ATOM 653 OG1 THR A 44 11.042 -0.369 0.664 1.00 0.00 O ATOM 654 CG2 THR A 44 10.328 1.938 0.870 1.00 0.00 C ATOM 0 H THR A 44 8.623 -0.811 0.433 1.00 0.00 H new ATOM 0 HA THR A 44 9.103 1.401 -1.445 1.00 0.00 H new ATOM 0 HB THR A 44 11.493 1.107 -0.716 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.571 -1.152 0.311 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.192 2.149 1.500 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.071 2.829 0.297 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.483 1.653 1.496 1.00 0.00 H new ATOM 662 N ASP A 45 9.075 -1.512 -2.333 1.00 0.00 N ATOM 663 CA ASP A 45 9.315 -2.456 -3.420 1.00 0.00 C ATOM 664 C ASP A 45 8.596 -2.005 -4.690 1.00 0.00 C ATOM 665 O ASP A 45 7.493 -1.470 -4.611 1.00 0.00 O ATOM 666 CB ASP A 45 8.840 -3.860 -3.043 1.00 0.00 C ATOM 667 CG ASP A 45 9.097 -4.855 -4.152 1.00 0.00 C ATOM 668 OD1 ASP A 45 10.217 -5.404 -4.205 1.00 0.00 O ATOM 669 OD2 ASP A 45 8.172 -5.112 -4.950 1.00 0.00 O ATOM 0 H ASP A 45 8.238 -1.708 -1.784 1.00 0.00 H new ATOM 0 HA ASP A 45 10.389 -2.483 -3.602 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.351 -4.186 -2.137 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.774 -3.835 -2.817 1.00 0.00 H new ATOM 674 N ALA A 46 9.204 -2.234 -5.847 1.00 0.00 N ATOM 675 CA ALA A 46 8.682 -1.700 -7.105 1.00 0.00 C ATOM 676 C ALA A 46 7.263 -2.184 -7.415 1.00 0.00 C ATOM 677 O ALA A 46 6.309 -1.395 -7.364 1.00 0.00 O ATOM 678 CB ALA A 46 9.614 -2.043 -8.254 1.00 0.00 C ATOM 0 H ALA A 46 10.057 -2.784 -5.944 1.00 0.00 H new ATOM 0 HA ALA A 46 8.630 -0.618 -6.987 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.211 -1.638 -9.183 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.597 -1.611 -8.066 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.704 -3.126 -8.339 1.00 0.00 H new ATOM 684 N GLU A 47 7.112 -3.473 -7.729 1.00 0.00 N ATOM 685 CA GLU A 47 5.817 -3.990 -8.159 1.00 0.00 C ATOM 686 C GLU A 47 4.852 -4.034 -6.985 1.00 0.00 C ATOM 687 O GLU A 47 3.661 -3.767 -7.139 1.00 0.00 O ATOM 688 CB GLU A 47 5.946 -5.377 -8.815 1.00 0.00 C ATOM 689 CG GLU A 47 5.820 -6.564 -7.863 1.00 0.00 C ATOM 690 CD GLU A 47 5.970 -7.891 -8.577 1.00 0.00 C ATOM 691 OE1 GLU A 47 7.120 -8.303 -8.847 1.00 0.00 O ATOM 692 OE2 GLU A 47 4.940 -8.539 -8.862 1.00 0.00 O ATOM 0 H GLU A 47 7.860 -4.166 -7.694 1.00 0.00 H new ATOM 0 HA GLU A 47 5.420 -3.312 -8.914 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.181 -5.468 -9.586 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.912 -5.435 -9.316 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.579 -6.485 -7.085 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.850 -6.528 -7.367 1.00 0.00 H new ATOM 699 N THR A 48 5.382 -4.334 -5.808 1.00 0.00 N ATOM 700 CA THR A 48 4.569 -4.423 -4.614 1.00 0.00 C ATOM 701 C THR A 48 3.887 -3.089 -4.318 1.00 0.00 C ATOM 702 O THR A 48 2.668 -3.030 -4.151 1.00 0.00 O ATOM 703 CB THR A 48 5.414 -4.864 -3.402 1.00 0.00 C ATOM 704 OG1 THR A 48 6.074 -6.103 -3.704 1.00 0.00 O ATOM 705 CG2 THR A 48 4.545 -5.029 -2.162 1.00 0.00 C ATOM 0 H THR A 48 6.374 -4.519 -5.659 1.00 0.00 H new ATOM 0 HA THR A 48 3.801 -5.175 -4.793 1.00 0.00 H new ATOM 0 HB THR A 48 6.156 -4.092 -3.197 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.765 -5.949 -4.382 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.165 -5.340 -1.322 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.064 -4.080 -1.926 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.783 -5.785 -2.350 1.00 0.00 H new ATOM 713 N SER A 49 4.666 -2.019 -4.306 1.00 0.00 N ATOM 714 CA SER A 49 4.150 -0.713 -3.939 1.00 0.00 C ATOM 715 C SER A 49 3.169 -0.192 -4.983 1.00 0.00 C ATOM 716 O SER A 49 2.096 0.309 -4.642 1.00 0.00 O ATOM 717 CB SER A 49 5.299 0.275 -3.766 1.00 0.00 C ATOM 718 OG SER A 49 4.854 1.481 -3.183 1.00 0.00 O ATOM 0 H SER A 49 5.657 -2.031 -4.546 1.00 0.00 H new ATOM 0 HA SER A 49 3.617 -0.816 -2.994 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.073 -0.170 -3.141 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.752 0.483 -4.735 1.00 0.00 H new ATOM 0 HG SER A 49 4.166 1.286 -2.513 1.00 0.00 H new ATOM 724 N LYS A 50 3.526 -0.326 -6.256 1.00 0.00 N ATOM 725 CA LYS A 50 2.694 0.202 -7.327 1.00 0.00 C ATOM 726 C LYS A 50 1.372 -0.549 -7.415 1.00 0.00 C ATOM 727 O LYS A 50 0.345 0.032 -7.767 1.00 0.00 O ATOM 728 CB LYS A 50 3.431 0.164 -8.671 1.00 0.00 C ATOM 729 CG LYS A 50 2.645 0.808 -9.804 1.00 0.00 C ATOM 730 CD LYS A 50 3.528 1.109 -11.002 1.00 0.00 C ATOM 731 CE LYS A 50 2.736 1.755 -12.124 1.00 0.00 C ATOM 732 NZ LYS A 50 3.614 2.201 -13.235 1.00 0.00 N ATOM 0 H LYS A 50 4.378 -0.792 -6.568 1.00 0.00 H new ATOM 0 HA LYS A 50 2.476 1.244 -7.092 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.389 0.673 -8.567 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.647 -0.872 -8.930 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.835 0.145 -10.107 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.186 1.731 -9.449 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.340 1.770 -10.700 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.984 0.186 -11.361 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.001 1.046 -12.504 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.183 2.609 -11.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.035 2.637 -13.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.300 2.897 -12.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.123 1.382 -13.625 1.00 0.00 H new ATOM 746 N LEU A 51 1.386 -1.832 -7.077 1.00 0.00 N ATOM 747 CA LEU A 51 0.164 -2.619 -7.084 1.00 0.00 C ATOM 748 C LEU A 51 -0.704 -2.296 -5.867 1.00 0.00 C ATOM 749 O LEU A 51 -1.926 -2.412 -5.930 1.00 0.00 O ATOM 750 CB LEU A 51 0.479 -4.115 -7.153 1.00 0.00 C ATOM 751 CG LEU A 51 0.978 -4.599 -8.519 1.00 0.00 C ATOM 752 CD1 LEU A 51 1.372 -6.062 -8.458 1.00 0.00 C ATOM 753 CD2 LEU A 51 -0.087 -4.390 -9.581 1.00 0.00 C ATOM 0 H LEU A 51 2.223 -2.344 -6.797 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.402 -2.353 -7.977 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.233 -4.349 -6.401 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.419 -4.675 -6.889 1.00 0.00 H new ATOM 0 HG LEU A 51 1.857 -4.013 -8.785 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.723 -6.385 -9.438 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.168 -6.194 -7.725 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.508 -6.660 -8.167 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.286 -4.740 -10.544 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.983 -4.951 -9.313 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.330 -3.330 -9.649 1.00 0.00 H new ATOM 765 N ILE A 52 -0.079 -1.893 -4.762 1.00 0.00 N ATOM 766 CA ILE A 52 -0.821 -1.374 -3.620 1.00 0.00 C ATOM 767 C ILE A 52 -1.435 -0.021 -3.958 1.00 0.00 C ATOM 768 O ILE A 52 -2.594 0.248 -3.650 1.00 0.00 O ATOM 769 CB ILE A 52 0.077 -1.203 -2.385 1.00 0.00 C ATOM 770 CG1 ILE A 52 0.660 -2.542 -1.954 1.00 0.00 C ATOM 771 CG2 ILE A 52 -0.706 -0.565 -1.247 1.00 0.00 C ATOM 772 CD1 ILE A 52 1.599 -2.426 -0.781 1.00 0.00 C ATOM 0 H ILE A 52 0.933 -1.916 -4.636 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.601 -2.100 -3.392 1.00 0.00 H new ATOM 0 HB ILE A 52 0.904 -0.543 -2.647 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.154 -3.220 -1.695 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.191 -2.988 -2.795 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.057 -0.450 -0.379 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.070 0.413 -1.560 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.552 -1.201 -0.986 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.981 -3.413 -0.522 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.431 -1.773 -1.044 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.065 -2.008 0.072 1.00 0.00 H new ATOM 784 N TYR A 53 -0.643 0.828 -4.588 1.00 0.00 N ATOM 785 CA TYR A 53 -1.105 2.139 -5.011 1.00 0.00 C ATOM 786 C TYR A 53 -2.253 1.995 -6.009 1.00 0.00 C ATOM 787 O TYR A 53 -3.252 2.712 -5.937 1.00 0.00 O ATOM 788 CB TYR A 53 0.066 2.910 -5.620 1.00 0.00 C ATOM 789 CG TYR A 53 -0.270 4.304 -6.088 1.00 0.00 C ATOM 790 CD1 TYR A 53 -0.747 5.247 -5.190 1.00 0.00 C ATOM 791 CD2 TYR A 53 -0.135 4.671 -7.424 1.00 0.00 C ATOM 792 CE1 TYR A 53 -1.076 6.519 -5.603 1.00 0.00 C ATOM 793 CE2 TYR A 53 -0.467 5.944 -7.844 1.00 0.00 C ATOM 794 CZ TYR A 53 -0.841 6.873 -6.968 1.00 0.00 C ATOM 795 OH TYR A 53 -1.265 8.138 -7.336 1.00 0.00 O ATOM 0 H TYR A 53 0.331 0.631 -4.820 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.481 2.695 -4.152 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.865 2.973 -4.881 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.456 2.342 -6.465 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.862 4.980 -4.150 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.234 3.952 -8.140 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -1.501 7.232 -4.912 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.423 6.188 -8.895 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.061 8.289 -8.283 1.00 0.00 H new ATOM 805 N ASP A 54 -2.105 1.036 -6.918 1.00 0.00 N ATOM 806 CA ASP A 54 -3.140 0.720 -7.898 1.00 0.00 C ATOM 807 C ASP A 54 -4.351 0.108 -7.197 1.00 0.00 C ATOM 808 O ASP A 54 -5.485 0.248 -7.641 1.00 0.00 O ATOM 809 CB ASP A 54 -2.583 -0.261 -8.936 1.00 0.00 C ATOM 810 CG ASP A 54 -3.377 -0.276 -10.226 1.00 0.00 C ATOM 811 OD1 ASP A 54 -3.184 0.623 -11.065 1.00 0.00 O ATOM 812 OD2 ASP A 54 -4.221 -1.182 -10.392 1.00 0.00 O ATOM 0 H ASP A 54 -1.268 0.458 -6.996 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.450 1.636 -8.401 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.548 0.001 -9.156 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.574 -1.264 -8.510 1.00 0.00 H new ATOM 817 N PHE A 55 -4.079 -0.564 -6.086 1.00 0.00 N ATOM 818 CA PHE A 55 -5.110 -1.173 -5.247 1.00 0.00 C ATOM 819 C PHE A 55 -6.022 -0.109 -4.657 1.00 0.00 C ATOM 820 O PHE A 55 -7.243 -0.239 -4.680 1.00 0.00 O ATOM 821 CB PHE A 55 -4.440 -1.980 -4.124 1.00 0.00 C ATOM 822 CG PHE A 55 -5.333 -2.312 -2.959 1.00 0.00 C ATOM 823 CD1 PHE A 55 -6.134 -3.453 -2.972 1.00 0.00 C ATOM 824 CD2 PHE A 55 -5.381 -1.481 -1.858 1.00 0.00 C ATOM 825 CE1 PHE A 55 -6.958 -3.745 -1.905 1.00 0.00 C ATOM 826 CE2 PHE A 55 -6.202 -1.771 -0.789 1.00 0.00 C ATOM 827 CZ PHE A 55 -6.969 -2.951 -0.807 1.00 0.00 C ATOM 0 H PHE A 55 -3.131 -0.704 -5.737 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.719 -1.838 -5.860 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.056 -2.909 -4.544 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.582 -1.418 -3.756 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.109 -4.114 -3.825 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.768 -0.592 -1.834 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.599 -4.613 -1.945 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.256 -1.099 0.055 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.565 -3.223 0.052 1.00 0.00 H new ATOM 837 N ILE A 56 -5.417 0.934 -4.117 1.00 0.00 N ATOM 838 CA ILE A 56 -6.165 2.025 -3.521 1.00 0.00 C ATOM 839 C ILE A 56 -7.024 2.708 -4.581 1.00 0.00 C ATOM 840 O ILE A 56 -8.153 3.127 -4.321 1.00 0.00 O ATOM 841 CB ILE A 56 -5.208 3.036 -2.865 1.00 0.00 C ATOM 842 CG1 ILE A 56 -4.300 2.300 -1.880 1.00 0.00 C ATOM 843 CG2 ILE A 56 -5.985 4.134 -2.156 1.00 0.00 C ATOM 844 CD1 ILE A 56 -3.248 3.174 -1.248 1.00 0.00 C ATOM 0 H ILE A 56 -4.404 1.048 -4.079 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.819 1.623 -2.747 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.600 3.506 -3.638 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.914 1.861 -1.094 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.810 1.476 -2.399 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.288 4.837 -1.700 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.611 4.660 -2.877 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.614 3.693 -1.382 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.645 2.579 -0.562 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.608 3.593 -2.025 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.729 3.983 -0.699 1.00 0.00 H new ATOM 856 N GLU A 57 -6.481 2.783 -5.786 1.00 0.00 N ATOM 857 CA GLU A 57 -7.203 3.306 -6.934 1.00 0.00 C ATOM 858 C GLU A 57 -8.336 2.365 -7.343 1.00 0.00 C ATOM 859 O GLU A 57 -9.464 2.801 -7.571 1.00 0.00 O ATOM 860 CB GLU A 57 -6.237 3.508 -8.097 1.00 0.00 C ATOM 861 CG GLU A 57 -5.422 4.783 -7.978 1.00 0.00 C ATOM 862 CD GLU A 57 -4.627 5.090 -9.228 1.00 0.00 C ATOM 863 OE1 GLU A 57 -5.250 5.387 -10.268 1.00 0.00 O ATOM 864 OE2 GLU A 57 -3.383 5.069 -9.170 1.00 0.00 O ATOM 0 H GLU A 57 -5.529 2.483 -5.995 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.645 4.264 -6.661 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.561 2.655 -8.152 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.800 3.529 -9.030 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.090 5.617 -7.764 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.740 4.695 -7.132 1.00 0.00 H new ATOM 871 N ASP A 58 -8.009 1.081 -7.433 1.00 0.00 N ATOM 872 CA ASP A 58 -8.977 0.019 -7.737 1.00 0.00 C ATOM 873 C ASP A 58 -10.189 0.070 -6.802 1.00 0.00 C ATOM 874 O ASP A 58 -11.319 -0.185 -7.218 1.00 0.00 O ATOM 875 CB ASP A 58 -8.283 -1.349 -7.628 1.00 0.00 C ATOM 876 CG ASP A 58 -9.232 -2.525 -7.767 1.00 0.00 C ATOM 877 OD1 ASP A 58 -9.620 -2.852 -8.912 1.00 0.00 O ATOM 878 OD2 ASP A 58 -9.607 -3.123 -6.735 1.00 0.00 O ATOM 0 H ASP A 58 -7.058 0.739 -7.297 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.342 0.171 -8.753 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.515 -1.420 -8.398 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.776 -1.414 -6.665 1.00 0.00 H new ATOM 883 N GLN A 59 -9.946 0.418 -5.544 1.00 0.00 N ATOM 884 CA GLN A 59 -11.013 0.508 -4.546 1.00 0.00 C ATOM 885 C GLN A 59 -11.860 1.767 -4.739 1.00 0.00 C ATOM 886 O GLN A 59 -12.933 1.893 -4.150 1.00 0.00 O ATOM 887 CB GLN A 59 -10.420 0.481 -3.133 1.00 0.00 C ATOM 888 CG GLN A 59 -10.269 -0.916 -2.533 1.00 0.00 C ATOM 889 CD GLN A 59 -10.183 -2.023 -3.570 1.00 0.00 C ATOM 890 OE1 GLN A 59 -11.184 -2.643 -3.926 1.00 0.00 O ATOM 891 NE2 GLN A 59 -8.989 -2.264 -4.079 1.00 0.00 N ATOM 0 H GLN A 59 -9.018 0.644 -5.187 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.665 -0.355 -4.678 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.441 0.960 -3.155 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -11.053 1.078 -2.476 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.372 -0.940 -1.914 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -11.116 -1.112 -1.875 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.181 -1.730 -3.759 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -8.874 -2.984 -4.792 1.00 0.00 H new ATOM 900 N GLY A 60 -11.387 2.684 -5.575 1.00 0.00 N ATOM 901 CA GLY A 60 -12.141 3.893 -5.851 1.00 0.00 C ATOM 902 C GLY A 60 -11.399 5.161 -5.471 1.00 0.00 C ATOM 903 O GLY A 60 -11.846 6.265 -5.779 1.00 0.00 O ATOM 0 H GLY A 60 -10.496 2.612 -6.066 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.385 3.927 -6.913 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.086 3.856 -5.308 1.00 0.00 H new ATOM 907 N GLY A 61 -10.265 5.014 -4.805 1.00 0.00 N ATOM 908 CA GLY A 61 -9.480 6.170 -4.430 1.00 0.00 C ATOM 909 C GLY A 61 -9.072 6.142 -2.973 1.00 0.00 C ATOM 910 O GLY A 61 -9.287 5.145 -2.285 1.00 0.00 O ATOM 0 H GLY A 61 -9.875 4.117 -4.518 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.587 6.217 -5.054 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.055 7.075 -4.626 1.00 0.00 H new ATOM 914 N LEU A 62 -8.506 7.247 -2.490 1.00 0.00 N ATOM 915 CA LEU A 62 -7.967 7.292 -1.135 1.00 0.00 C ATOM 916 C LEU A 62 -9.062 7.118 -0.091 1.00 0.00 C ATOM 917 O LEU A 62 -8.931 6.301 0.819 1.00 0.00 O ATOM 918 CB LEU A 62 -7.215 8.600 -0.898 1.00 0.00 C ATOM 919 CG LEU A 62 -5.962 8.785 -1.756 1.00 0.00 C ATOM 920 CD1 LEU A 62 -5.292 10.113 -1.440 1.00 0.00 C ATOM 921 CD2 LEU A 62 -4.995 7.628 -1.541 1.00 0.00 C ATOM 0 H LEU A 62 -8.410 8.117 -3.014 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.270 6.460 -1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.893 9.432 -1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.930 8.653 0.153 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.258 8.793 -2.805 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.402 10.228 -2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.985 10.928 -1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.007 10.136 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.109 7.775 -2.159 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.703 7.588 -0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.480 6.692 -1.819 1.00 0.00 H new ATOM 933 N GLU A 63 -10.150 7.868 -0.237 1.00 0.00 N ATOM 934 CA GLU A 63 -11.241 7.818 0.732 1.00 0.00 C ATOM 935 C GLU A 63 -11.836 6.421 0.824 1.00 0.00 C ATOM 936 O GLU A 63 -12.261 6.006 1.890 1.00 0.00 O ATOM 937 CB GLU A 63 -12.345 8.818 0.378 1.00 0.00 C ATOM 938 CG GLU A 63 -11.920 10.269 0.494 1.00 0.00 C ATOM 939 CD GLU A 63 -11.384 10.618 1.869 1.00 0.00 C ATOM 940 OE1 GLU A 63 -12.191 10.856 2.788 1.00 0.00 O ATOM 941 OE2 GLU A 63 -10.145 10.665 2.031 1.00 0.00 O ATOM 0 H GLU A 63 -10.300 8.514 -1.012 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.818 8.086 1.700 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.680 8.628 -0.642 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.200 8.647 1.032 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.155 10.479 -0.253 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.771 10.911 0.268 1.00 0.00 H new ATOM 948 N ALA A 64 -11.829 5.692 -0.285 1.00 0.00 N ATOM 949 CA ALA A 64 -12.464 4.380 -0.346 1.00 0.00 C ATOM 950 C ALA A 64 -11.833 3.410 0.649 1.00 0.00 C ATOM 951 O ALA A 64 -12.532 2.667 1.339 1.00 0.00 O ATOM 952 CB ALA A 64 -12.377 3.825 -1.755 1.00 0.00 C ATOM 0 H ALA A 64 -11.390 5.987 -1.157 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.513 4.498 -0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.854 2.845 -1.790 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.884 4.500 -2.444 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.330 3.730 -2.045 1.00 0.00 H new ATOM 958 N VAL A 65 -10.508 3.441 0.734 1.00 0.00 N ATOM 959 CA VAL A 65 -9.781 2.581 1.661 1.00 0.00 C ATOM 960 C VAL A 65 -10.024 3.045 3.090 1.00 0.00 C ATOM 961 O VAL A 65 -10.257 2.242 3.994 1.00 0.00 O ATOM 962 CB VAL A 65 -8.268 2.592 1.355 1.00 0.00 C ATOM 963 CG1 VAL A 65 -7.500 1.715 2.332 1.00 0.00 C ATOM 964 CG2 VAL A 65 -8.019 2.144 -0.076 1.00 0.00 C ATOM 0 H VAL A 65 -9.915 4.052 0.172 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.145 1.561 1.542 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.906 3.613 1.472 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.438 1.744 2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.651 2.083 3.347 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.860 0.689 2.261 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.948 2.156 -0.280 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.403 1.133 -0.213 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.527 2.821 -0.763 1.00 0.00 H new ATOM 974 N ARG A 66 -10.016 4.359 3.265 1.00 0.00 N ATOM 975 CA ARG A 66 -10.229 4.969 4.570 1.00 0.00 C ATOM 976 C ARG A 66 -11.671 4.753 5.034 1.00 0.00 C ATOM 977 O ARG A 66 -11.974 4.825 6.225 1.00 0.00 O ATOM 978 CB ARG A 66 -9.907 6.461 4.497 1.00 0.00 C ATOM 979 CG ARG A 66 -8.537 6.743 3.906 1.00 0.00 C ATOM 980 CD ARG A 66 -8.265 8.231 3.797 1.00 0.00 C ATOM 981 NE ARG A 66 -8.055 8.844 5.104 1.00 0.00 N ATOM 982 CZ ARG A 66 -8.551 10.025 5.458 1.00 0.00 C ATOM 983 NH1 ARG A 66 -9.330 10.704 4.623 1.00 0.00 N ATOM 984 NH2 ARG A 66 -8.276 10.528 6.654 1.00 0.00 N ATOM 0 H ARG A 66 -9.863 5.029 2.511 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.566 4.498 5.296 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.666 6.962 3.896 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.960 6.888 5.498 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.771 6.278 4.527 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.467 6.288 2.918 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.386 8.394 3.174 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.103 8.718 3.299 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.494 8.336 5.787 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.550 10.319 3.704 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.708 11.610 4.901 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.684 10.008 7.302 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.657 11.434 6.926 1.00 0.00 H new ATOM 998 N GLN A 67 -12.558 4.501 4.077 1.00 0.00 N ATOM 999 CA GLN A 67 -13.940 4.159 4.378 1.00 0.00 C ATOM 1000 C GLN A 67 -14.027 2.744 4.918 1.00 0.00 C ATOM 1001 O GLN A 67 -14.715 2.495 5.898 1.00 0.00 O ATOM 1002 CB GLN A 67 -14.825 4.281 3.141 1.00 0.00 C ATOM 1003 CG GLN A 67 -15.079 5.709 2.690 1.00 0.00 C ATOM 1004 CD GLN A 67 -15.879 5.770 1.404 1.00 0.00 C ATOM 1005 OE1 GLN A 67 -15.794 4.872 0.563 1.00 0.00 O ATOM 1006 NE2 GLN A 67 -16.664 6.822 1.243 1.00 0.00 N ATOM 0 H GLN A 67 -12.341 4.528 3.081 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.296 4.862 5.131 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -14.362 3.731 2.322 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -15.782 3.802 3.345 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -15.613 6.246 3.474 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -14.126 6.218 2.547 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -16.705 7.543 1.964 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -17.228 6.913 0.398 1.00 0.00 H new ATOM 1015 N GLU A 68 -13.310 1.817 4.287 1.00 0.00 N ATOM 1016 CA GLU A 68 -13.346 0.415 4.694 1.00 0.00 C ATOM 1017 C GLU A 68 -12.796 0.226 6.098 1.00 0.00 C ATOM 1018 O GLU A 68 -13.111 -0.756 6.770 1.00 0.00 O ATOM 1019 CB GLU A 68 -12.597 -0.465 3.700 1.00 0.00 C ATOM 1020 CG GLU A 68 -13.229 -0.441 2.327 1.00 0.00 C ATOM 1021 CD GLU A 68 -12.863 -1.640 1.489 1.00 0.00 C ATOM 1022 OE1 GLU A 68 -13.153 -2.774 1.919 1.00 0.00 O ATOM 1023 OE2 GLU A 68 -12.319 -1.457 0.381 1.00 0.00 O ATOM 0 H GLU A 68 -12.699 2.011 3.494 1.00 0.00 H new ATOM 0 HA GLU A 68 -14.392 0.107 4.702 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.562 -0.129 3.628 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.574 -1.490 4.070 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -14.313 -0.396 2.433 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.921 0.466 1.807 1.00 0.00 H new ATOM 1030 N MET A 69 -11.992 1.182 6.538 1.00 0.00 N ATOM 1031 CA MET A 69 -11.538 1.230 7.922 1.00 0.00 C ATOM 1032 C MET A 69 -12.727 1.275 8.883 1.00 0.00 C ATOM 1033 O MET A 69 -12.637 0.837 10.029 1.00 0.00 O ATOM 1034 CB MET A 69 -10.666 2.462 8.143 1.00 0.00 C ATOM 1035 CG MET A 69 -9.219 2.264 7.751 1.00 0.00 C ATOM 1036 SD MET A 69 -8.358 1.173 8.895 1.00 0.00 S ATOM 1037 CE MET A 69 -6.709 1.238 8.218 1.00 0.00 C ATOM 0 H MET A 69 -11.638 1.940 5.954 1.00 0.00 H new ATOM 0 HA MET A 69 -10.958 0.329 8.120 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.077 3.294 7.571 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.712 2.745 9.195 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.169 1.848 6.745 1.00 0.00 H new ATOM 0 HG3 MET A 69 -8.715 3.230 7.722 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.011 0.777 8.916 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.683 0.700 7.270 1.00 0.00 H new ATOM 0 HE3 MET A 69 -6.424 2.277 8.053 1.00 0.00 H new ATOM 1047 N ARG A 70 -13.833 1.819 8.399 1.00 0.00 N ATOM 1048 CA ARG A 70 -15.044 1.960 9.191 1.00 0.00 C ATOM 1049 C ARG A 70 -16.173 1.125 8.593 1.00 0.00 C ATOM 1050 O ARG A 70 -17.218 0.928 9.213 1.00 0.00 O ATOM 1051 CB ARG A 70 -15.434 3.432 9.236 1.00 0.00 C ATOM 1052 CG ARG A 70 -14.385 4.303 9.907 1.00 0.00 C ATOM 1053 CD ARG A 70 -14.265 5.662 9.243 1.00 0.00 C ATOM 1054 NE ARG A 70 -15.520 6.406 9.255 1.00 0.00 N ATOM 1055 CZ ARG A 70 -15.635 7.677 8.889 1.00 0.00 C ATOM 1056 NH1 ARG A 70 -14.572 8.357 8.459 1.00 0.00 N ATOM 1057 NH2 ARG A 70 -16.820 8.264 8.946 1.00 0.00 N ATOM 0 H ARG A 70 -13.916 2.175 7.447 1.00 0.00 H new ATOM 0 HA ARG A 70 -14.862 1.600 10.204 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -15.600 3.790 8.220 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -16.379 3.536 9.768 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -14.642 4.435 10.958 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -13.420 3.798 9.875 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -13.497 6.244 9.752 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -13.935 5.531 8.213 1.00 0.00 H new ATOM 0 HE ARG A 70 -16.362 5.919 9.564 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.661 7.901 8.409 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -14.670 9.333 8.180 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -17.634 7.740 9.269 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -16.920 9.240 8.667 1.00 0.00 H new ATOM 1203 N VAL B 79 -10.185 -3.691 3.626 1.00 0.00 N ATOM 1204 CA VAL B 79 -9.092 -3.575 2.659 1.00 0.00 C ATOM 1205 C VAL B 79 -7.900 -4.479 2.986 1.00 0.00 C ATOM 1206 O VAL B 79 -7.182 -4.900 2.085 1.00 0.00 O ATOM 1207 CB VAL B 79 -8.584 -2.129 2.568 1.00 0.00 C ATOM 1208 CG1 VAL B 79 -9.060 -1.457 1.297 1.00 0.00 C ATOM 1209 CG2 VAL B 79 -9.020 -1.324 3.778 1.00 0.00 C ATOM 0 HA VAL B 79 -9.516 -3.893 1.707 1.00 0.00 H new ATOM 0 HB VAL B 79 -7.495 -2.167 2.548 1.00 0.00 H new ATOM 0 HG11 VAL B 79 -8.683 -0.435 1.263 1.00 0.00 H new ATOM 0 HG12 VAL B 79 -8.690 -2.009 0.433 1.00 0.00 H new ATOM 0 HG13 VAL B 79 -10.150 -1.443 1.279 1.00 0.00 H new ATOM 0 HG21 VAL B 79 -8.648 -0.303 3.689 1.00 0.00 H new ATOM 0 HG22 VAL B 79 -10.109 -1.310 3.832 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -8.618 -1.780 4.683 1.00 0.00 H new ATOM 1219 N ALA B 80 -7.693 -4.769 4.266 1.00 0.00 N ATOM 1220 CA ALA B 80 -6.558 -5.578 4.705 1.00 0.00 C ATOM 1221 C ALA B 80 -6.452 -6.899 3.937 1.00 0.00 C ATOM 1222 O ALA B 80 -5.471 -7.137 3.230 1.00 0.00 O ATOM 1223 CB ALA B 80 -6.650 -5.838 6.196 1.00 0.00 C ATOM 0 H ALA B 80 -8.300 -4.454 5.023 1.00 0.00 H new ATOM 0 HA ALA B 80 -5.652 -5.011 4.491 1.00 0.00 H new ATOM 0 HB1 ALA B 80 -5.800 -6.442 6.513 1.00 0.00 H new ATOM 0 HB2 ALA B 80 -6.641 -4.889 6.732 1.00 0.00 H new ATOM 0 HB3 ALA B 80 -7.575 -6.371 6.416 1.00 0.00 H new ATOM 1229 N GLN B 81 -7.460 -7.753 4.061 1.00 0.00 N ATOM 1230 CA GLN B 81 -7.455 -9.037 3.375 1.00 0.00 C ATOM 1231 C GLN B 81 -7.669 -8.849 1.878 1.00 0.00 C ATOM 1232 O GLN B 81 -7.236 -9.664 1.065 1.00 0.00 O ATOM 1233 CB GLN B 81 -8.535 -9.943 3.957 1.00 0.00 C ATOM 1234 CG GLN B 81 -8.010 -11.300 4.381 1.00 0.00 C ATOM 1235 CD GLN B 81 -7.741 -12.220 3.206 1.00 0.00 C ATOM 1236 OE1 GLN B 81 -8.418 -12.148 2.183 1.00 0.00 O ATOM 1237 NE2 GLN B 81 -6.755 -13.093 3.347 1.00 0.00 N ATOM 0 H GLN B 81 -8.289 -7.580 4.629 1.00 0.00 H new ATOM 0 HA GLN B 81 -6.482 -9.507 3.523 1.00 0.00 H new ATOM 0 HB2 GLN B 81 -8.988 -9.451 4.817 1.00 0.00 H new ATOM 0 HB3 GLN B 81 -9.323 -10.080 3.217 1.00 0.00 H new ATOM 0 HG2 GLN B 81 -7.090 -11.167 4.950 1.00 0.00 H new ATOM 0 HG3 GLN B 81 -8.732 -11.772 5.048 1.00 0.00 H new ATOM 0 HE21 GLN B 81 -6.217 -13.119 4.213 1.00 0.00 H new ATOM 0 HE22 GLN B 81 -6.533 -13.739 2.589 1.00 0.00 H new ATOM 1246 N ARG B 82 -8.318 -7.750 1.521 1.00 0.00 N ATOM 1247 CA ARG B 82 -8.566 -7.417 0.135 1.00 0.00 C ATOM 1248 C ARG B 82 -7.244 -7.100 -0.569 1.00 0.00 C ATOM 1249 O ARG B 82 -7.094 -7.295 -1.779 1.00 0.00 O ATOM 1250 CB ARG B 82 -9.534 -6.234 0.090 1.00 0.00 C ATOM 1251 CG ARG B 82 -9.574 -5.532 -1.240 1.00 0.00 C ATOM 1252 CD ARG B 82 -10.192 -6.390 -2.332 1.00 0.00 C ATOM 1253 NE ARG B 82 -10.199 -5.701 -3.621 1.00 0.00 N ATOM 1254 CZ ARG B 82 -10.359 -6.315 -4.790 1.00 0.00 C ATOM 1255 NH1 ARG B 82 -10.543 -7.630 -4.834 1.00 0.00 N ATOM 1256 NH2 ARG B 82 -10.330 -5.618 -5.917 1.00 0.00 N ATOM 0 H ARG B 82 -8.685 -7.069 2.186 1.00 0.00 H new ATOM 0 HA ARG B 82 -9.017 -8.259 -0.391 1.00 0.00 H new ATOM 0 HB2 ARG B 82 -10.536 -6.587 0.334 1.00 0.00 H new ATOM 0 HB3 ARG B 82 -9.252 -5.517 0.861 1.00 0.00 H new ATOM 0 HG2 ARG B 82 -10.143 -4.608 -1.142 1.00 0.00 H new ATOM 0 HG3 ARG B 82 -8.561 -5.253 -1.531 1.00 0.00 H new ATOM 0 HD2 ARG B 82 -9.635 -7.323 -2.421 1.00 0.00 H new ATOM 0 HD3 ARG B 82 -11.213 -6.653 -2.054 1.00 0.00 H new ATOM 0 HE ARG B 82 -10.074 -4.689 -3.624 1.00 0.00 H new ATOM 0 HH11 ARG B 82 -10.562 -8.172 -3.970 1.00 0.00 H new ATOM 0 HH12 ARG B 82 -10.665 -8.098 -5.732 1.00 0.00 H new ATOM 0 HH21 ARG B 82 -10.185 -4.609 -5.889 1.00 0.00 H new ATOM 0 HH22 ARG B 82 -10.453 -6.091 -6.812 1.00 0.00 H new ATOM 1270 N LEU B 83 -6.283 -6.642 0.216 1.00 0.00 N ATOM 1271 CA LEU B 83 -4.965 -6.297 -0.297 1.00 0.00 C ATOM 1272 C LEU B 83 -4.106 -7.546 -0.445 1.00 0.00 C ATOM 1273 O LEU B 83 -3.384 -7.693 -1.430 1.00 0.00 O ATOM 1274 CB LEU B 83 -4.270 -5.303 0.634 1.00 0.00 C ATOM 1275 CG LEU B 83 -3.689 -4.072 -0.054 1.00 0.00 C ATOM 1276 CD1 LEU B 83 -3.152 -3.089 0.966 1.00 0.00 C ATOM 1277 CD2 LEU B 83 -2.599 -4.462 -1.039 1.00 0.00 C ATOM 0 H LEU B 83 -6.392 -6.499 1.220 1.00 0.00 H new ATOM 0 HA LEU B 83 -5.093 -5.836 -1.276 1.00 0.00 H new ATOM 0 HB2 LEU B 83 -4.984 -4.975 1.389 1.00 0.00 H new ATOM 0 HB3 LEU B 83 -3.467 -5.820 1.159 1.00 0.00 H new ATOM 0 HG LEU B 83 -4.493 -3.589 -0.609 1.00 0.00 H new ATOM 0 HD11 LEU B 83 -2.743 -2.219 0.452 1.00 0.00 H new ATOM 0 HD12 LEU B 83 -3.959 -2.774 1.627 1.00 0.00 H new ATOM 0 HD13 LEU B 83 -2.367 -3.566 1.553 1.00 0.00 H new ATOM 0 HD21 LEU B 83 -2.202 -3.566 -1.516 1.00 0.00 H new ATOM 0 HD22 LEU B 83 -1.797 -4.977 -0.510 1.00 0.00 H new ATOM 0 HD23 LEU B 83 -3.015 -5.123 -1.799 1.00 0.00 H new ATOM 1289 N MET B 84 -4.205 -8.440 0.539 1.00 0.00 N ATOM 1290 CA MET B 84 -3.430 -9.683 0.550 1.00 0.00 C ATOM 1291 C MET B 84 -3.603 -10.436 -0.761 1.00 0.00 C ATOM 1292 O MET B 84 -2.630 -10.734 -1.459 1.00 0.00 O ATOM 1293 CB MET B 84 -3.877 -10.579 1.709 1.00 0.00 C ATOM 1294 CG MET B 84 -3.700 -9.947 3.075 1.00 0.00 C ATOM 1295 SD MET B 84 -4.340 -10.981 4.406 1.00 0.00 S ATOM 1296 CE MET B 84 -3.939 -9.974 5.830 1.00 0.00 C ATOM 0 H MET B 84 -4.819 -8.326 1.345 1.00 0.00 H new ATOM 0 HA MET B 84 -2.379 -9.423 0.676 1.00 0.00 H new ATOM 0 HB2 MET B 84 -4.927 -10.837 1.572 1.00 0.00 H new ATOM 0 HB3 MET B 84 -3.312 -11.511 1.674 1.00 0.00 H new ATOM 0 HG2 MET B 84 -2.641 -9.754 3.247 1.00 0.00 H new ATOM 0 HG3 MET B 84 -4.207 -8.982 3.093 1.00 0.00 H new ATOM 0 HE1 MET B 84 -4.272 -10.478 6.737 1.00 0.00 H new ATOM 0 HE2 MET B 84 -2.861 -9.820 5.875 1.00 0.00 H new ATOM 0 HE3 MET B 84 -4.440 -9.009 5.746 1.00 0.00 H new ATOM 1306 N GLN B 85 -4.856 -10.707 -1.096 1.00 0.00 N ATOM 1307 CA GLN B 85 -5.195 -11.444 -2.304 1.00 0.00 C ATOM 1308 C GLN B 85 -4.753 -10.690 -3.555 1.00 0.00 C ATOM 1309 O GLN B 85 -4.377 -11.300 -4.555 1.00 0.00 O ATOM 1310 CB GLN B 85 -6.704 -11.696 -2.346 1.00 0.00 C ATOM 1311 CG GLN B 85 -7.208 -12.550 -1.194 1.00 0.00 C ATOM 1312 CD GLN B 85 -6.734 -13.985 -1.282 1.00 0.00 C ATOM 1313 OE1 GLN B 85 -5.663 -14.334 -0.786 1.00 0.00 O ATOM 1314 NE2 GLN B 85 -7.532 -14.828 -1.916 1.00 0.00 N ATOM 0 H GLN B 85 -5.663 -10.423 -0.541 1.00 0.00 H new ATOM 0 HA GLN B 85 -4.667 -12.397 -2.285 1.00 0.00 H new ATOM 0 HB2 GLN B 85 -7.225 -10.739 -2.333 1.00 0.00 H new ATOM 0 HB3 GLN B 85 -6.957 -12.184 -3.287 1.00 0.00 H new ATOM 0 HG2 GLN B 85 -6.872 -12.117 -0.252 1.00 0.00 H new ATOM 0 HG3 GLN B 85 -8.298 -12.531 -1.182 1.00 0.00 H new ATOM 0 HE21 GLN B 85 -8.412 -14.497 -2.313 1.00 0.00 H new ATOM 0 HE22 GLN B 85 -7.268 -15.809 -2.008 1.00 0.00 H new ATOM 1323 N HIS B 86 -4.763 -9.361 -3.484 1.00 0.00 N ATOM 1324 CA HIS B 86 -4.459 -8.543 -4.650 1.00 0.00 C ATOM 1325 C HIS B 86 -2.957 -8.496 -4.934 1.00 0.00 C ATOM 1326 O HIS B 86 -2.537 -8.120 -6.028 1.00 0.00 O ATOM 1327 CB HIS B 86 -5.005 -7.125 -4.480 1.00 0.00 C ATOM 1328 CG HIS B 86 -4.951 -6.318 -5.741 1.00 0.00 C ATOM 1329 ND1 HIS B 86 -5.562 -6.714 -6.909 1.00 0.00 N ATOM 1330 CD2 HIS B 86 -4.354 -5.133 -6.016 1.00 0.00 C ATOM 1331 CE1 HIS B 86 -5.351 -5.811 -7.843 1.00 0.00 C ATOM 1332 NE2 HIS B 86 -4.621 -4.837 -7.332 1.00 0.00 N ATOM 0 H HIS B 86 -4.977 -8.833 -2.638 1.00 0.00 H new ATOM 0 HA HIS B 86 -4.949 -9.010 -5.505 1.00 0.00 H new ATOM 0 HB2 HIS B 86 -6.037 -7.179 -4.134 1.00 0.00 H new ATOM 0 HB3 HIS B 86 -4.435 -6.614 -3.704 1.00 0.00 H new ATOM 0 HD1 HIS B 86 -6.096 -7.574 -7.032 1.00 0.00 H new ATOM 0 HD2 HIS B 86 -3.776 -4.533 -5.329 1.00 0.00 H new ATOM 0 HE1 HIS B 86 -5.715 -5.859 -8.859 1.00 0.00 H new ATOM 1341 N LEU B 87 -2.146 -8.855 -3.953 1.00 0.00 N ATOM 1342 CA LEU B 87 -0.716 -8.946 -4.174 1.00 0.00 C ATOM 1343 C LEU B 87 -0.327 -10.378 -4.527 1.00 0.00 C ATOM 1344 O LEU B 87 0.546 -10.617 -5.366 1.00 0.00 O ATOM 1345 CB LEU B 87 0.037 -8.472 -2.936 1.00 0.00 C ATOM 1346 CG LEU B 87 -0.352 -7.076 -2.453 1.00 0.00 C ATOM 1347 CD1 LEU B 87 0.373 -6.752 -1.161 1.00 0.00 C ATOM 1348 CD2 LEU B 87 -0.049 -6.034 -3.525 1.00 0.00 C ATOM 0 H LEU B 87 -2.450 -9.085 -3.007 1.00 0.00 H new ATOM 0 HA LEU B 87 -0.445 -8.301 -5.010 1.00 0.00 H new ATOM 0 HB2 LEU B 87 -0.134 -9.183 -2.128 1.00 0.00 H new ATOM 0 HB3 LEU B 87 1.106 -8.484 -3.150 1.00 0.00 H new ATOM 0 HG LEU B 87 -1.425 -7.056 -2.261 1.00 0.00 H new ATOM 0 HD11 LEU B 87 0.089 -5.755 -0.825 1.00 0.00 H new ATOM 0 HD12 LEU B 87 0.102 -7.483 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU B 87 1.449 -6.785 -1.330 1.00 0.00 H new ATOM 0 HD21 LEU B 87 -0.333 -5.046 -3.163 1.00 0.00 H new ATOM 0 HD22 LEU B 87 1.017 -6.045 -3.752 1.00 0.00 H new ATOM 0 HD23 LEU B 87 -0.614 -6.266 -4.428 1.00 0.00 H new ATOM 1360 N ALA B 88 -1.008 -11.322 -3.897 1.00 0.00 N ATOM 1361 CA ALA B 88 -0.760 -12.741 -4.131 1.00 0.00 C ATOM 1362 C ALA B 88 -1.148 -13.153 -5.550 1.00 0.00 C ATOM 1363 O ALA B 88 -0.638 -14.145 -6.078 1.00 0.00 O ATOM 1364 CB ALA B 88 -1.516 -13.584 -3.116 1.00 0.00 C ATOM 0 H ALA B 88 -1.742 -11.132 -3.215 1.00 0.00 H new ATOM 0 HA ALA B 88 0.310 -12.913 -4.014 1.00 0.00 H new ATOM 0 HB1 ALA B 88 -1.321 -14.640 -3.303 1.00 0.00 H new ATOM 0 HB2 ALA B 88 -1.184 -13.327 -2.110 1.00 0.00 H new ATOM 0 HB3 ALA B 88 -2.585 -13.391 -3.206 1.00 0.00 H new ATOM 1370 N GLU B 89 -2.046 -12.384 -6.162 1.00 0.00 N ATOM 1371 CA GLU B 89 -2.531 -12.675 -7.511 1.00 0.00 C ATOM 1372 C GLU B 89 -1.483 -12.356 -8.581 1.00 0.00 C ATOM 1373 O GLU B 89 -1.666 -12.690 -9.749 1.00 0.00 O ATOM 1374 CB GLU B 89 -3.807 -11.882 -7.798 1.00 0.00 C ATOM 1375 CG GLU B 89 -3.613 -10.378 -7.700 1.00 0.00 C ATOM 1376 CD GLU B 89 -4.811 -9.566 -8.160 1.00 0.00 C ATOM 1377 OE1 GLU B 89 -5.780 -9.418 -7.385 1.00 0.00 O ATOM 1378 OE2 GLU B 89 -4.768 -9.028 -9.289 1.00 0.00 O ATOM 0 H GLU B 89 -2.455 -11.549 -5.742 1.00 0.00 H new ATOM 0 HA GLU B 89 -2.741 -13.744 -7.552 1.00 0.00 H new ATOM 0 HB2 GLU B 89 -4.165 -12.131 -8.797 1.00 0.00 H new ATOM 0 HB3 GLU B 89 -4.583 -12.188 -7.096 1.00 0.00 H new ATOM 0 HG2 GLU B 89 -3.387 -10.118 -6.666 1.00 0.00 H new ATOM 0 HG3 GLU B 89 -2.745 -10.095 -8.296 1.00 0.00 H new ATOM 1385 N HIS B 90 -0.390 -11.705 -8.191 1.00 0.00 N ATOM 1386 CA HIS B 90 0.643 -11.332 -9.156 1.00 0.00 C ATOM 1387 C HIS B 90 1.983 -11.993 -8.837 1.00 0.00 C ATOM 1388 O HIS B 90 2.367 -12.966 -9.484 1.00 0.00 O ATOM 1389 CB HIS B 90 0.799 -9.807 -9.247 1.00 0.00 C ATOM 1390 CG HIS B 90 -0.418 -9.120 -9.786 1.00 0.00 C ATOM 1391 ND1 HIS B 90 -0.734 -9.099 -11.121 1.00 0.00 N ATOM 1392 CD2 HIS B 90 -1.424 -8.472 -9.157 1.00 0.00 C ATOM 1393 CE1 HIS B 90 -1.880 -8.473 -11.293 1.00 0.00 C ATOM 1394 NE2 HIS B 90 -2.332 -8.082 -10.113 1.00 0.00 N ATOM 0 H HIS B 90 -0.197 -11.428 -7.229 1.00 0.00 H new ATOM 0 HA HIS B 90 0.316 -11.699 -10.129 1.00 0.00 H new ATOM 0 HB2 HIS B 90 1.023 -9.411 -8.256 1.00 0.00 H new ATOM 0 HB3 HIS B 90 1.652 -9.573 -9.884 1.00 0.00 H new ATOM 0 HD2 HIS B 90 -1.501 -8.293 -8.095 1.00 0.00 H new ATOM 0 HE1 HIS B 90 -2.370 -8.306 -12.241 1.00 0.00 H new ATOM 0 HE2 HIS B 90 -3.203 -7.579 -9.942 1.00 0.00 H new ATOM 1403 N GLY B 91 2.680 -11.479 -7.833 1.00 0.00 N ATOM 1404 CA GLY B 91 3.966 -12.049 -7.458 1.00 0.00 C ATOM 1405 C GLY B 91 4.781 -11.111 -6.593 1.00 0.00 C ATOM 1406 O GLY B 91 6.005 -11.053 -6.709 1.00 0.00 O ATOM 0 H GLY B 91 2.383 -10.681 -7.271 1.00 0.00 H new ATOM 0 HA2 GLY B 91 3.804 -12.984 -6.923 1.00 0.00 H new ATOM 0 HA3 GLY B 91 4.530 -12.291 -8.359 1.00 0.00 H new ATOM 1410 N ILE B 92 4.086 -10.388 -5.725 1.00 0.00 N ATOM 1411 CA ILE B 92 4.690 -9.407 -4.835 1.00 0.00 C ATOM 1412 C ILE B 92 5.808 -10.005 -3.980 1.00 0.00 C ATOM 1413 O ILE B 92 5.716 -11.144 -3.509 1.00 0.00 O ATOM 1414 CB ILE B 92 3.593 -8.781 -3.943 1.00 0.00 C ATOM 1415 CG1 ILE B 92 2.961 -7.596 -4.672 1.00 0.00 C ATOM 1416 CG2 ILE B 92 4.123 -8.368 -2.576 1.00 0.00 C ATOM 1417 CD1 ILE B 92 2.140 -7.984 -5.881 1.00 0.00 C ATOM 0 H ILE B 92 3.075 -10.468 -5.618 1.00 0.00 H new ATOM 0 HA ILE B 92 5.151 -8.634 -5.450 1.00 0.00 H new ATOM 0 HB ILE B 92 2.832 -9.539 -3.758 1.00 0.00 H new ATOM 0 HG12 ILE B 92 2.326 -7.050 -3.974 1.00 0.00 H new ATOM 0 HG13 ILE B 92 3.750 -6.913 -4.986 1.00 0.00 H new ATOM 0 HG21 ILE B 92 3.314 -7.934 -1.988 1.00 0.00 H new ATOM 0 HG22 ILE B 92 4.518 -9.243 -2.060 1.00 0.00 H new ATOM 0 HG23 ILE B 92 4.916 -7.631 -2.701 1.00 0.00 H new ATOM 0 HD11 ILE B 92 1.726 -7.088 -6.342 1.00 0.00 H new ATOM 0 HD12 ILE B 92 2.774 -8.502 -6.600 1.00 0.00 H new ATOM 0 HD13 ILE B 92 1.327 -8.642 -5.573 1.00 0.00 H new ATOM 1429 N GLN B 93 6.864 -9.223 -3.801 1.00 0.00 N ATOM 1430 CA GLN B 93 8.007 -9.625 -3.002 1.00 0.00 C ATOM 1431 C GLN B 93 7.763 -9.295 -1.536 1.00 0.00 C ATOM 1432 O GLN B 93 7.337 -8.191 -1.196 1.00 0.00 O ATOM 1433 CB GLN B 93 9.284 -8.917 -3.477 1.00 0.00 C ATOM 1434 CG GLN B 93 9.731 -9.282 -4.890 1.00 0.00 C ATOM 1435 CD GLN B 93 8.792 -8.777 -5.973 1.00 0.00 C ATOM 1436 OE1 GLN B 93 8.126 -7.760 -5.810 1.00 0.00 O ATOM 1437 NE2 GLN B 93 8.743 -9.479 -7.093 1.00 0.00 N ATOM 0 H GLN B 93 6.950 -8.291 -4.207 1.00 0.00 H new ATOM 0 HA GLN B 93 8.138 -10.701 -3.118 1.00 0.00 H new ATOM 0 HB2 GLN B 93 9.125 -7.840 -3.428 1.00 0.00 H new ATOM 0 HB3 GLN B 93 10.092 -9.151 -2.784 1.00 0.00 H new ATOM 0 HG2 GLN B 93 10.727 -8.874 -5.064 1.00 0.00 H new ATOM 0 HG3 GLN B 93 9.813 -10.366 -4.968 1.00 0.00 H new ATOM 0 HE21 GLN B 93 9.311 -10.320 -7.193 1.00 0.00 H new ATOM 0 HE22 GLN B 93 8.137 -9.179 -7.857 1.00 0.00 H new