USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 781 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 10 THR OG1 : rot 180:sc= -0.25 USER MOD Set 1.2: C 605 LYS NZ :NH3+ -116:sc= -0.66 (180deg=-0.735) USER MOD Single : A 4 GLN :FLIP amide:sc= -1.07 F(o=-1.7,f=-1.1) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0522 USER MOD Single : A 14 GLN : amide:sc= -1.95 K(o=-1.9,f=-3.3!) USER MOD Single : A 16 TYR OH : rot 39:sc= 0.128 USER MOD Single : A 17 THR OG1 : rot 89:sc= 1.06 USER MOD Single : A 23 GLN :FLIP amide:sc= -1.77! C(o=-2.4!,f=-1.8!) USER MOD Single : A 24 GLN : amide:sc= -0.927 K(o=-0.93,f=-2) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.76 USER MOD Single : A 37 THR OG1 : rot -77:sc= 0.932 USER MOD Single : B 14 GLN :FLIP amide:sc= -2.97! F(o=-3.7,f=-3!) USER MOD Single : B 16 TYR OH : rot 141:sc= 0.0913 USER MOD Single : B 17 THR OG1 : rot 95:sc= 1.08 USER MOD Single : B 23 GLN : amide:sc= -0.0625 X(o=-0.063,f=0) USER MOD Single : B 24 GLN : amide:sc= 0.0238 K(o=0.024,f=-2.9!) USER MOD Single : B 35 TYR OH : rot 180:sc= 0 USER MOD Single : B 37 THR OG1 : rot -9:sc= -0.0298 USER MOD Single : C 595 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 596 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 602 ASN : amide:sc= 1.01 K(o=1,f=-0.38) USER MOD Single : C 607 GLN : amide:sc= -0.661 K(o=-0.66,f=-1.2) USER MOD Single : C 609 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 610 THR OG1 : rot 52:sc= 0.46 USER MOD Single : C 613 GLN : amide:sc= -0.0463 X(o=-0.046,f=-0.077) USER MOD ----------------------------------------------------------------- ATOM 120 N GLN A 4 -17.812 7.274 -8.889 1.00 0.00 N ATOM 121 CA GLN A 4 -17.243 8.608 -9.068 1.00 0.00 C ATOM 122 C GLN A 4 -16.086 8.859 -8.100 1.00 0.00 C ATOM 123 O GLN A 4 -16.232 8.654 -6.897 1.00 0.00 O ATOM 124 CB GLN A 4 -18.325 9.679 -8.883 1.00 0.00 C ATOM 125 CG GLN A 4 -19.154 9.508 -7.616 1.00 0.00 C ATOM 126 CD GLN A 4 -20.271 8.493 -7.775 1.00 0.00 C ATOM 127 OE1 GLN A 4 -20.049 7.280 -7.283 1.00 0.00 O flip ATOM 128 NE2 GLN A 4 -21.326 8.800 -8.332 1.00 0.00 N flip ATOM 0 HA GLN A 4 -16.851 8.666 -10.083 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -17.851 10.661 -8.866 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -18.991 9.662 -9.746 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -18.501 9.198 -6.800 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -19.581 10.470 -7.335 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -21.455 9.744 -8.696 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -22.071 8.110 -8.429 1.00 0.00 H new ATOM 137 N ILE A 5 -14.941 9.311 -8.616 1.00 0.00 N ATOM 138 CA ILE A 5 -13.789 9.587 -7.753 1.00 0.00 C ATOM 139 C ILE A 5 -14.233 10.418 -6.537 1.00 0.00 C ATOM 140 O ILE A 5 -14.564 11.595 -6.674 1.00 0.00 O ATOM 141 CB ILE A 5 -12.647 10.327 -8.519 1.00 0.00 C ATOM 142 CG1 ILE A 5 -11.717 9.324 -9.237 1.00 0.00 C ATOM 143 CG2 ILE A 5 -11.825 11.207 -7.576 1.00 0.00 C ATOM 144 CD1 ILE A 5 -12.104 9.043 -10.669 1.00 0.00 C ATOM 0 H ILE A 5 -14.787 9.491 -9.608 1.00 0.00 H new ATOM 0 HA ILE A 5 -13.391 8.629 -7.418 1.00 0.00 H new ATOM 0 HB ILE A 5 -13.121 10.964 -9.266 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -10.698 9.710 -9.216 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -11.714 8.386 -8.682 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -11.038 11.708 -8.140 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -12.474 11.953 -7.116 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -11.376 10.588 -6.799 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -11.402 8.330 -11.102 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -13.110 8.625 -10.699 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -12.079 9.970 -11.241 1.00 0.00 H new ATOM 156 N PRO A 6 -14.263 9.814 -5.330 1.00 0.00 N ATOM 157 CA PRO A 6 -14.686 10.510 -4.109 1.00 0.00 C ATOM 158 C PRO A 6 -14.004 11.872 -3.934 1.00 0.00 C ATOM 159 O PRO A 6 -12.806 11.935 -3.664 1.00 0.00 O ATOM 160 CB PRO A 6 -14.255 9.550 -2.994 1.00 0.00 C ATOM 161 CG PRO A 6 -14.309 8.203 -3.623 1.00 0.00 C ATOM 162 CD PRO A 6 -13.904 8.404 -5.059 1.00 0.00 C ATOM 0 HA PRO A 6 -15.753 10.733 -4.119 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.252 9.781 -2.636 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -14.922 9.614 -2.135 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -13.635 7.509 -3.120 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -15.311 7.780 -3.555 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.838 8.227 -5.203 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -14.433 7.721 -5.724 1.00 0.00 H new ATOM 170 N PRO A 7 -14.753 12.988 -4.073 1.00 0.00 N ATOM 171 CA PRO A 7 -14.188 14.332 -3.911 1.00 0.00 C ATOM 172 C PRO A 7 -13.336 14.442 -2.648 1.00 0.00 C ATOM 173 O PRO A 7 -13.571 13.727 -1.673 1.00 0.00 O ATOM 174 CB PRO A 7 -15.430 15.224 -3.813 1.00 0.00 C ATOM 175 CG PRO A 7 -16.464 14.501 -4.602 1.00 0.00 C ATOM 176 CD PRO A 7 -16.197 13.034 -4.387 1.00 0.00 C ATOM 0 HA PRO A 7 -13.520 14.606 -4.728 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -15.742 15.359 -2.777 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -15.240 16.217 -4.221 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -17.467 14.768 -4.269 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -16.400 14.759 -5.659 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -16.798 12.632 -3.571 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -16.433 12.449 -5.276 1.00 0.00 H new ATOM 184 N GLY A 8 -12.348 15.335 -2.660 1.00 0.00 N ATOM 185 CA GLY A 8 -11.489 15.505 -1.498 1.00 0.00 C ATOM 186 C GLY A 8 -10.414 14.434 -1.391 1.00 0.00 C ATOM 187 O GLY A 8 -9.396 14.641 -0.733 1.00 0.00 O ATOM 0 H GLY A 8 -12.127 15.942 -3.450 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -11.014 16.485 -1.544 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.100 15.490 -0.596 1.00 0.00 H new ATOM 191 N LEU A 9 -10.637 13.289 -2.030 1.00 0.00 N ATOM 192 CA LEU A 9 -9.678 12.191 -1.993 1.00 0.00 C ATOM 193 C LEU A 9 -8.304 12.638 -2.478 1.00 0.00 C ATOM 194 O LEU A 9 -7.284 12.294 -1.884 1.00 0.00 O ATOM 195 CB LEU A 9 -10.179 11.025 -2.839 1.00 0.00 C ATOM 196 CG LEU A 9 -9.250 9.800 -2.863 1.00 0.00 C ATOM 197 CD1 LEU A 9 -10.046 8.516 -2.705 1.00 0.00 C ATOM 198 CD2 LEU A 9 -8.432 9.770 -4.146 1.00 0.00 C ATOM 0 H LEU A 9 -11.475 13.098 -2.580 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.580 11.866 -0.957 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.155 10.716 -2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.325 11.373 -3.862 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.562 9.880 -2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.368 7.663 -2.725 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.580 8.533 -1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.762 8.429 -3.522 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.782 8.895 -4.142 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.103 9.720 -5.004 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.825 10.673 -4.212 1.00 0.00 H new ATOM 210 N THR A 10 -8.281 13.402 -3.565 1.00 0.00 N ATOM 211 CA THR A 10 -7.026 13.888 -4.129 1.00 0.00 C ATOM 212 C THR A 10 -6.185 14.596 -3.068 1.00 0.00 C ATOM 213 O THR A 10 -4.972 14.413 -3.005 1.00 0.00 O ATOM 214 CB THR A 10 -7.297 14.836 -5.307 1.00 0.00 C ATOM 215 OG1 THR A 10 -8.507 15.549 -5.112 1.00 0.00 O ATOM 216 CG2 THR A 10 -7.390 14.126 -6.644 1.00 0.00 C ATOM 0 H THR A 10 -9.115 13.698 -4.072 1.00 0.00 H new ATOM 0 HA THR A 10 -6.466 13.026 -4.491 1.00 0.00 H new ATOM 0 HB THR A 10 -6.441 15.511 -5.333 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.660 16.148 -5.872 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.583 14.855 -7.431 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.451 13.611 -6.849 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.203 13.401 -6.615 1.00 0.00 H new ATOM 224 N GLU A 11 -6.840 15.403 -2.239 1.00 0.00 N ATOM 225 CA GLU A 11 -6.153 16.139 -1.183 1.00 0.00 C ATOM 226 C GLU A 11 -5.530 15.186 -0.163 1.00 0.00 C ATOM 227 O GLU A 11 -4.466 15.469 0.388 1.00 0.00 O ATOM 228 CB GLU A 11 -7.125 17.096 -0.485 1.00 0.00 C ATOM 229 CG GLU A 11 -7.456 18.335 -1.306 1.00 0.00 C ATOM 230 CD GLU A 11 -6.355 19.377 -1.265 1.00 0.00 C ATOM 231 OE1 GLU A 11 -5.277 19.124 -1.843 1.00 0.00 O ATOM 232 OE2 GLU A 11 -6.570 20.445 -0.656 1.00 0.00 O ATOM 0 H GLU A 11 -7.846 15.564 -2.278 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.351 16.718 -1.642 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.048 16.562 -0.260 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.695 17.406 0.468 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.635 18.043 -2.341 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.381 18.775 -0.934 1.00 0.00 H new ATOM 239 N LEU A 12 -6.196 14.063 0.090 1.00 0.00 N ATOM 240 CA LEU A 12 -5.698 13.081 1.051 1.00 0.00 C ATOM 241 C LEU A 12 -4.446 12.387 0.529 1.00 0.00 C ATOM 242 O LEU A 12 -3.469 12.215 1.256 1.00 0.00 O ATOM 243 CB LEU A 12 -6.777 12.037 1.366 1.00 0.00 C ATOM 244 CG LEU A 12 -7.677 12.360 2.563 1.00 0.00 C ATOM 245 CD1 LEU A 12 -6.910 12.233 3.874 1.00 0.00 C ATOM 246 CD2 LEU A 12 -8.275 13.753 2.423 1.00 0.00 C ATOM 0 H LEU A 12 -7.078 13.810 -0.355 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.442 13.615 1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.405 11.912 0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.289 11.079 1.548 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.491 11.636 2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.572 12.468 4.707 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.539 11.214 3.981 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.069 12.927 3.872 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.911 13.964 3.283 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.473 14.490 2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.869 13.804 1.511 1.00 0.00 H new ATOM 258 N LEU A 13 -4.489 11.983 -0.737 1.00 0.00 N ATOM 259 CA LEU A 13 -3.365 11.300 -1.355 1.00 0.00 C ATOM 260 C LEU A 13 -2.196 12.266 -1.563 1.00 0.00 C ATOM 261 O LEU A 13 -1.033 11.873 -1.488 1.00 0.00 O ATOM 262 CB LEU A 13 -3.804 10.668 -2.688 1.00 0.00 C ATOM 263 CG LEU A 13 -4.484 9.298 -2.577 1.00 0.00 C ATOM 264 CD1 LEU A 13 -5.579 9.326 -1.521 1.00 0.00 C ATOM 265 CD2 LEU A 13 -5.054 8.867 -3.928 1.00 0.00 C ATOM 0 H LEU A 13 -5.291 12.118 -1.352 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.025 10.505 -0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.488 11.354 -3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.928 10.568 -3.329 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.733 8.569 -2.273 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.049 8.345 -1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.146 9.584 -0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.328 10.070 -1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.532 7.893 -3.827 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.789 9.599 -4.263 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.248 8.802 -4.659 1.00 0.00 H new ATOM 277 N GLN A 14 -2.518 13.534 -1.822 1.00 0.00 N ATOM 278 CA GLN A 14 -1.506 14.559 -2.040 1.00 0.00 C ATOM 279 C GLN A 14 -0.579 14.680 -0.839 1.00 0.00 C ATOM 280 O GLN A 14 0.638 14.755 -0.991 1.00 0.00 O ATOM 281 CB GLN A 14 -2.178 15.915 -2.309 1.00 0.00 C ATOM 282 CG GLN A 14 -1.615 16.651 -3.505 1.00 0.00 C ATOM 283 CD GLN A 14 -2.347 17.947 -3.769 1.00 0.00 C ATOM 284 OE1 GLN A 14 -3.364 18.241 -3.140 1.00 0.00 O ATOM 285 NE2 GLN A 14 -1.835 18.726 -4.703 1.00 0.00 N ATOM 0 H GLN A 14 -3.478 13.873 -1.885 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.913 14.266 -2.906 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.246 15.757 -2.462 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.072 16.544 -1.425 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.558 16.859 -3.338 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.679 16.013 -4.386 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.990 18.441 -5.198 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.284 19.613 -4.930 1.00 0.00 H new ATOM 294 N GLY A 15 -1.164 14.697 0.353 1.00 0.00 N ATOM 295 CA GLY A 15 -0.374 14.808 1.563 1.00 0.00 C ATOM 296 C GLY A 15 0.710 13.752 1.636 1.00 0.00 C ATOM 297 O GLY A 15 1.853 14.048 1.977 1.00 0.00 O ATOM 0 H GLY A 15 -2.171 14.636 0.502 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.081 15.797 1.609 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.027 14.717 2.431 1.00 0.00 H new ATOM 301 N TYR A 16 0.345 12.519 1.311 1.00 0.00 N ATOM 302 CA TYR A 16 1.299 11.416 1.336 1.00 0.00 C ATOM 303 C TYR A 16 2.287 11.519 0.173 1.00 0.00 C ATOM 304 O TYR A 16 3.493 11.351 0.351 1.00 0.00 O ATOM 305 CB TYR A 16 0.562 10.076 1.280 1.00 0.00 C ATOM 306 CG TYR A 16 1.481 8.885 1.117 1.00 0.00 C ATOM 307 CD1 TYR A 16 2.151 8.347 2.208 1.00 0.00 C ATOM 308 CD2 TYR A 16 1.683 8.302 -0.129 1.00 0.00 C ATOM 309 CE1 TYR A 16 2.992 7.262 2.062 1.00 0.00 C ATOM 310 CE2 TYR A 16 2.523 7.217 -0.281 1.00 0.00 C ATOM 311 CZ TYR A 16 3.175 6.700 0.817 1.00 0.00 C ATOM 312 OH TYR A 16 4.013 5.618 0.670 1.00 0.00 O ATOM 0 H TYR A 16 -0.599 12.257 1.028 1.00 0.00 H new ATOM 0 HA TYR A 16 1.860 11.476 2.269 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.020 9.953 2.193 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.146 10.094 0.451 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.012 8.784 3.186 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.174 8.705 -0.992 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.505 6.855 2.921 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.668 6.776 -1.256 1.00 0.00 H new ATOM 0 HH TYR A 16 3.902 5.012 1.432 1.00 0.00 H new ATOM 322 N THR A 17 1.759 11.762 -1.022 1.00 0.00 N ATOM 323 CA THR A 17 2.581 11.853 -2.227 1.00 0.00 C ATOM 324 C THR A 17 3.671 12.924 -2.118 1.00 0.00 C ATOM 325 O THR A 17 4.858 12.623 -2.227 1.00 0.00 O ATOM 326 CB THR A 17 1.694 12.129 -3.444 1.00 0.00 C ATOM 327 OG1 THR A 17 0.478 11.411 -3.349 1.00 0.00 O ATOM 328 CG2 THR A 17 2.338 11.752 -4.763 1.00 0.00 C ATOM 0 H THR A 17 0.761 11.900 -1.184 1.00 0.00 H new ATOM 0 HA THR A 17 3.086 10.894 -2.345 1.00 0.00 H new ATOM 0 HB THR A 17 1.527 13.206 -3.434 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.183 11.950 -2.867 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.652 11.975 -5.580 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.257 12.322 -4.895 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.569 10.687 -4.764 1.00 0.00 H new ATOM 336 N VAL A 18 3.262 14.176 -1.913 1.00 0.00 N ATOM 337 CA VAL A 18 4.212 15.288 -1.806 1.00 0.00 C ATOM 338 C VAL A 18 5.333 14.978 -0.818 1.00 0.00 C ATOM 339 O VAL A 18 6.431 15.527 -0.925 1.00 0.00 O ATOM 340 CB VAL A 18 3.516 16.593 -1.361 1.00 0.00 C ATOM 341 CG1 VAL A 18 2.507 17.044 -2.409 1.00 0.00 C ATOM 342 CG2 VAL A 18 2.863 16.423 0.013 1.00 0.00 C ATOM 0 H VAL A 18 2.283 14.447 -1.818 1.00 0.00 H new ATOM 0 HA VAL A 18 4.632 15.423 -2.803 1.00 0.00 H new ATOM 0 HB VAL A 18 4.271 17.374 -1.268 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.026 17.965 -2.079 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.019 17.221 -3.355 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.752 16.269 -2.545 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.380 17.356 0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.119 15.628 -0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.625 16.164 0.748 1.00 0.00 H new ATOM 352 N GLU A 19 5.060 14.109 0.146 1.00 0.00 N ATOM 353 CA GLU A 19 6.059 13.750 1.147 1.00 0.00 C ATOM 354 C GLU A 19 7.101 12.791 0.579 1.00 0.00 C ATOM 355 O GLU A 19 8.272 12.850 0.954 1.00 0.00 O ATOM 356 CB GLU A 19 5.387 13.130 2.373 1.00 0.00 C ATOM 357 CG GLU A 19 4.506 14.105 3.144 1.00 0.00 C ATOM 358 CD GLU A 19 5.277 14.910 4.173 1.00 0.00 C ATOM 359 OE1 GLU A 19 6.438 15.277 3.893 1.00 0.00 O ATOM 360 OE2 GLU A 19 4.719 15.177 5.258 1.00 0.00 O ATOM 0 H GLU A 19 4.161 13.641 0.257 1.00 0.00 H new ATOM 0 HA GLU A 19 6.571 14.665 1.445 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.783 12.281 2.055 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.156 12.742 3.041 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.026 14.787 2.442 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.711 13.551 3.644 1.00 0.00 H new ATOM 367 N VAL A 20 6.679 11.901 -0.316 1.00 0.00 N ATOM 368 CA VAL A 20 7.601 10.937 -0.908 1.00 0.00 C ATOM 369 C VAL A 20 8.658 11.630 -1.768 1.00 0.00 C ATOM 370 O VAL A 20 9.816 11.213 -1.796 1.00 0.00 O ATOM 371 CB VAL A 20 6.857 9.854 -1.738 1.00 0.00 C ATOM 372 CG1 VAL A 20 6.716 10.255 -3.205 1.00 0.00 C ATOM 373 CG2 VAL A 20 7.575 8.517 -1.618 1.00 0.00 C ATOM 0 H VAL A 20 5.716 11.828 -0.644 1.00 0.00 H new ATOM 0 HA VAL A 20 8.103 10.437 -0.080 1.00 0.00 H new ATOM 0 HB VAL A 20 5.851 9.759 -1.330 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.190 9.470 -3.748 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.152 11.185 -3.275 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.705 10.397 -3.640 1.00 0.00 H new ATOM 0 HG21 VAL A 20 7.045 7.766 -2.203 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.594 8.616 -1.992 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.601 8.210 -0.572 1.00 0.00 H new ATOM 383 N LEU A 21 8.256 12.688 -2.463 1.00 0.00 N ATOM 384 CA LEU A 21 9.177 13.435 -3.316 1.00 0.00 C ATOM 385 C LEU A 21 10.141 14.255 -2.460 1.00 0.00 C ATOM 386 O LEU A 21 11.331 14.347 -2.763 1.00 0.00 O ATOM 387 CB LEU A 21 8.399 14.343 -4.286 1.00 0.00 C ATOM 388 CG LEU A 21 8.295 13.805 -5.718 1.00 0.00 C ATOM 389 CD1 LEU A 21 7.423 12.563 -5.762 1.00 0.00 C ATOM 390 CD2 LEU A 21 7.756 14.868 -6.667 1.00 0.00 C ATOM 0 H LEU A 21 7.302 13.048 -2.454 1.00 0.00 H new ATOM 0 HA LEU A 21 9.758 12.727 -3.908 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.393 14.494 -3.894 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.880 15.321 -4.313 1.00 0.00 H new ATOM 0 HG LEU A 21 9.299 13.536 -6.047 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.362 12.197 -6.787 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.857 11.791 -5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.423 12.808 -5.404 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.693 14.458 -7.675 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.764 15.179 -6.339 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.425 15.729 -6.667 1.00 0.00 H new ATOM 402 N ARG A 22 9.615 14.857 -1.398 1.00 0.00 N ATOM 403 CA ARG A 22 10.419 15.683 -0.499 1.00 0.00 C ATOM 404 C ARG A 22 11.186 14.854 0.538 1.00 0.00 C ATOM 405 O ARG A 22 12.179 15.325 1.091 1.00 0.00 O ATOM 406 CB ARG A 22 9.520 16.692 0.224 1.00 0.00 C ATOM 407 CG ARG A 22 10.254 17.943 0.705 1.00 0.00 C ATOM 408 CD ARG A 22 10.192 19.060 -0.325 1.00 0.00 C ATOM 409 NE ARG A 22 8.814 19.445 -0.619 1.00 0.00 N ATOM 410 CZ ARG A 22 8.071 20.221 0.169 1.00 0.00 C ATOM 411 NH1 ARG A 22 8.561 20.689 1.312 1.00 0.00 N ATOM 412 NH2 ARG A 22 6.829 20.522 -0.183 1.00 0.00 N ATOM 0 H ARG A 22 8.631 14.789 -1.137 1.00 0.00 H new ATOM 0 HA ARG A 22 11.155 16.200 -1.115 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.714 16.991 -0.446 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.057 16.202 1.081 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.814 18.286 1.641 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.295 17.697 0.913 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.742 19.926 0.043 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.684 18.737 -1.243 1.00 0.00 H new ATOM 0 HE ARG A 22 8.394 19.098 -1.481 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.513 20.455 1.592 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.985 21.282 1.909 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.444 20.160 -1.055 1.00 0.00 H new ATOM 0 HH22 ARG A 22 6.258 21.116 0.419 1.00 0.00 H new ATOM 426 N GLN A 23 10.711 13.639 0.826 1.00 0.00 N ATOM 427 CA GLN A 23 11.351 12.783 1.831 1.00 0.00 C ATOM 428 C GLN A 23 12.068 11.595 1.198 1.00 0.00 C ATOM 429 O GLN A 23 13.239 11.347 1.483 1.00 0.00 O ATOM 430 CB GLN A 23 10.302 12.284 2.833 1.00 0.00 C ATOM 431 CG GLN A 23 10.887 11.862 4.172 1.00 0.00 C ATOM 432 CD GLN A 23 11.890 10.732 4.042 1.00 0.00 C ATOM 433 OE1 GLN A 23 13.174 11.068 4.102 1.00 0.00 O flip ATOM 434 NE2 GLN A 23 11.516 9.569 3.891 1.00 0.00 N flip ATOM 0 H GLN A 23 9.891 13.227 0.381 1.00 0.00 H new ATOM 0 HA GLN A 23 12.101 13.384 2.346 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.568 13.072 3.000 1.00 0.00 H new ATOM 0 HB3 GLN A 23 9.769 11.439 2.397 1.00 0.00 H new ATOM 0 HG2 GLN A 23 11.371 12.720 4.639 1.00 0.00 H new ATOM 0 HG3 GLN A 23 10.080 11.551 4.835 1.00 0.00 H new ATOM 0 HE21 GLN A 23 10.520 9.355 3.850 1.00 0.00 H new ATOM 0 HE22 GLN A 23 12.203 8.819 3.807 1.00 0.00 H new ATOM 443 N GLN A 24 11.353 10.855 0.359 1.00 0.00 N ATOM 444 CA GLN A 24 11.915 9.680 -0.297 1.00 0.00 C ATOM 445 C GLN A 24 12.217 8.589 0.737 1.00 0.00 C ATOM 446 O GLN A 24 13.324 8.523 1.271 1.00 0.00 O ATOM 447 CB GLN A 24 13.190 10.038 -1.071 1.00 0.00 C ATOM 448 CG GLN A 24 13.056 11.283 -1.938 1.00 0.00 C ATOM 449 CD GLN A 24 12.313 11.021 -3.234 1.00 0.00 C ATOM 450 OE1 GLN A 24 11.893 9.896 -3.507 1.00 0.00 O ATOM 451 NE2 GLN A 24 12.148 12.063 -4.039 1.00 0.00 N ATOM 0 H GLN A 24 10.381 11.048 0.116 1.00 0.00 H new ATOM 0 HA GLN A 24 11.178 9.305 -1.007 1.00 0.00 H new ATOM 0 HB2 GLN A 24 14.004 10.187 -0.362 1.00 0.00 H new ATOM 0 HB3 GLN A 24 13.468 9.195 -1.703 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.534 12.057 -1.376 1.00 0.00 H new ATOM 0 HG3 GLN A 24 14.049 11.670 -2.166 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.513 12.977 -3.771 1.00 0.00 H new ATOM 0 HE22 GLN A 24 11.656 11.950 -4.925 1.00 0.00 H new ATOM 460 N PRO A 25 11.228 7.730 1.049 1.00 0.00 N ATOM 461 CA PRO A 25 11.373 6.660 2.033 1.00 0.00 C ATOM 462 C PRO A 25 11.788 5.327 1.408 1.00 0.00 C ATOM 463 O PRO A 25 11.689 5.146 0.194 1.00 0.00 O ATOM 464 CB PRO A 25 9.957 6.571 2.592 1.00 0.00 C ATOM 465 CG PRO A 25 9.082 6.835 1.409 1.00 0.00 C ATOM 466 CD PRO A 25 9.868 7.742 0.484 1.00 0.00 C ATOM 0 HA PRO A 25 12.151 6.863 2.769 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.759 5.590 3.023 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.793 7.305 3.381 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.818 5.904 0.907 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.149 7.308 1.715 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.858 7.373 -0.541 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.452 8.749 0.464 1.00 0.00 H new ATOM 474 N PRO A 26 12.257 4.368 2.233 1.00 0.00 N ATOM 475 CA PRO A 26 12.678 3.052 1.752 1.00 0.00 C ATOM 476 C PRO A 26 11.502 2.095 1.557 1.00 0.00 C ATOM 477 O PRO A 26 11.577 1.169 0.749 1.00 0.00 O ATOM 478 CB PRO A 26 13.591 2.566 2.878 1.00 0.00 C ATOM 479 CG PRO A 26 12.987 3.149 4.109 1.00 0.00 C ATOM 480 CD PRO A 26 12.416 4.487 3.700 1.00 0.00 C ATOM 0 HA PRO A 26 13.158 3.098 0.774 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.621 1.477 2.925 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.616 2.908 2.736 1.00 0.00 H new ATOM 0 HG2 PRO A 26 12.209 2.498 4.508 1.00 0.00 H new ATOM 0 HG3 PRO A 26 13.736 3.267 4.892 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.463 4.683 4.191 1.00 0.00 H new ATOM 0 HD3 PRO A 26 13.085 5.306 3.965 1.00 0.00 H new ATOM 488 N ASP A 27 10.419 2.319 2.305 1.00 0.00 N ATOM 489 CA ASP A 27 9.230 1.475 2.218 1.00 0.00 C ATOM 490 C ASP A 27 7.969 2.324 2.105 1.00 0.00 C ATOM 491 O ASP A 27 7.823 3.338 2.789 1.00 0.00 O ATOM 492 CB ASP A 27 9.141 0.557 3.441 1.00 0.00 C ATOM 493 CG ASP A 27 10.171 -0.556 3.400 1.00 0.00 C ATOM 494 OD1 ASP A 27 10.000 -1.494 2.594 1.00 0.00 O ATOM 495 OD2 ASP A 27 11.148 -0.489 4.175 1.00 0.00 O ATOM 0 H ASP A 27 10.343 3.081 2.979 1.00 0.00 H new ATOM 0 HA ASP A 27 9.312 0.862 1.320 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.282 1.147 4.347 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.142 0.123 3.496 1.00 0.00 H new ATOM 500 N LEU A 28 7.066 1.902 1.229 1.00 0.00 N ATOM 501 CA LEU A 28 5.814 2.615 1.006 1.00 0.00 C ATOM 502 C LEU A 28 4.806 2.324 2.115 1.00 0.00 C ATOM 503 O LEU A 28 4.232 3.240 2.702 1.00 0.00 O ATOM 504 CB LEU A 28 5.220 2.220 -0.351 1.00 0.00 C ATOM 505 CG LEU A 28 6.179 2.339 -1.546 1.00 0.00 C ATOM 506 CD1 LEU A 28 5.708 1.469 -2.703 1.00 0.00 C ATOM 507 CD2 LEU A 28 6.306 3.788 -1.992 1.00 0.00 C ATOM 0 H LEU A 28 7.178 1.064 0.658 1.00 0.00 H new ATOM 0 HA LEU A 28 6.029 3.683 1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.868 1.190 -0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.347 2.844 -0.543 1.00 0.00 H new ATOM 0 HG LEU A 28 7.161 1.988 -1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.401 1.568 -3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.671 0.427 -2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.714 1.788 -3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.989 3.849 -2.839 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.327 4.165 -2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.693 4.389 -1.169 1.00 0.00 H new ATOM 519 N VAL A 29 4.588 1.041 2.389 1.00 0.00 N ATOM 520 CA VAL A 29 3.640 0.626 3.419 1.00 0.00 C ATOM 521 C VAL A 29 3.982 1.236 4.776 1.00 0.00 C ATOM 522 O VAL A 29 3.096 1.677 5.508 1.00 0.00 O ATOM 523 CB VAL A 29 3.582 -0.913 3.544 1.00 0.00 C ATOM 524 CG1 VAL A 29 4.887 -1.465 4.105 1.00 0.00 C ATOM 525 CG2 VAL A 29 2.398 -1.338 4.403 1.00 0.00 C ATOM 0 H VAL A 29 5.055 0.270 1.912 1.00 0.00 H new ATOM 0 HA VAL A 29 2.661 0.992 3.109 1.00 0.00 H new ATOM 0 HB VAL A 29 3.445 -1.329 2.546 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.819 -2.550 4.183 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.710 -1.199 3.441 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.067 -1.041 5.093 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.375 -2.425 4.479 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.498 -0.907 5.399 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.473 -0.986 3.947 1.00 0.00 H new ATOM 535 N GLU A 30 5.269 1.258 5.110 1.00 0.00 N ATOM 536 CA GLU A 30 5.717 1.816 6.381 1.00 0.00 C ATOM 537 C GLU A 30 5.522 3.326 6.406 1.00 0.00 C ATOM 538 O GLU A 30 4.972 3.878 7.358 1.00 0.00 O ATOM 539 CB GLU A 30 7.189 1.478 6.624 1.00 0.00 C ATOM 540 CG GLU A 30 7.486 -0.012 6.600 1.00 0.00 C ATOM 541 CD GLU A 30 8.969 -0.312 6.717 1.00 0.00 C ATOM 542 OE1 GLU A 30 9.695 0.510 7.312 1.00 0.00 O ATOM 543 OE2 GLU A 30 9.401 -1.370 6.214 1.00 0.00 O ATOM 0 H GLU A 30 6.018 0.897 4.520 1.00 0.00 H new ATOM 0 HA GLU A 30 5.116 1.373 7.175 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.796 1.973 5.866 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.491 1.884 7.589 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.955 -0.498 7.418 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.104 -0.440 5.673 1.00 0.00 H new ATOM 550 N PHE A 31 5.985 3.990 5.355 1.00 0.00 N ATOM 551 CA PHE A 31 5.869 5.437 5.253 1.00 0.00 C ATOM 552 C PHE A 31 4.410 5.886 5.209 1.00 0.00 C ATOM 553 O PHE A 31 4.088 7.020 5.563 1.00 0.00 O ATOM 554 CB PHE A 31 6.607 5.932 4.012 1.00 0.00 C ATOM 555 CG PHE A 31 6.852 7.412 4.017 1.00 0.00 C ATOM 556 CD1 PHE A 31 7.757 7.969 4.905 1.00 0.00 C ATOM 557 CD2 PHE A 31 6.178 8.246 3.140 1.00 0.00 C ATOM 558 CE1 PHE A 31 7.988 9.329 4.918 1.00 0.00 C ATOM 559 CE2 PHE A 31 6.404 9.610 3.148 1.00 0.00 C ATOM 560 CZ PHE A 31 7.311 10.151 4.040 1.00 0.00 C ATOM 0 H PHE A 31 6.445 3.547 4.560 1.00 0.00 H new ATOM 0 HA PHE A 31 6.322 5.871 6.144 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.562 5.413 3.935 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.029 5.670 3.126 1.00 0.00 H new ATOM 0 HD1 PHE A 31 8.288 7.331 5.596 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.468 7.826 2.442 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.698 9.750 5.615 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.873 10.251 2.459 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.490 11.216 4.050 1.00 0.00 H new ATOM 570 N ALA A 32 3.530 5.001 4.756 1.00 0.00 N ATOM 571 CA ALA A 32 2.109 5.317 4.652 1.00 0.00 C ATOM 572 C ALA A 32 1.399 5.248 5.999 1.00 0.00 C ATOM 573 O ALA A 32 0.620 6.136 6.337 1.00 0.00 O ATOM 574 CB ALA A 32 1.448 4.401 3.642 1.00 0.00 C ATOM 0 H ALA A 32 3.775 4.058 4.454 1.00 0.00 H new ATOM 0 HA ALA A 32 2.024 6.348 4.309 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.388 4.643 3.570 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.918 4.535 2.667 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.563 3.365 3.961 1.00 0.00 H new ATOM 580 N VAL A 33 1.674 4.208 6.780 1.00 0.00 N ATOM 581 CA VAL A 33 1.048 4.074 8.091 1.00 0.00 C ATOM 582 C VAL A 33 1.639 5.098 9.052 1.00 0.00 C ATOM 583 O VAL A 33 0.926 5.625 9.904 1.00 0.00 O ATOM 584 CB VAL A 33 1.212 2.638 8.657 1.00 0.00 C ATOM 585 CG1 VAL A 33 2.574 2.447 9.313 1.00 0.00 C ATOM 586 CG2 VAL A 33 0.093 2.311 9.637 1.00 0.00 C ATOM 0 H VAL A 33 2.317 3.455 6.533 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.020 4.261 7.979 1.00 0.00 H new ATOM 0 HB VAL A 33 1.149 1.946 7.818 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.653 1.430 9.698 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.360 2.619 8.577 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.685 3.155 10.134 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.229 1.300 10.020 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.116 3.019 10.465 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.868 2.380 9.128 1.00 0.00 H new ATOM 596 N GLU A 34 2.923 5.399 8.921 1.00 0.00 N ATOM 597 CA GLU A 34 3.543 6.383 9.801 1.00 0.00 C ATOM 598 C GLU A 34 2.962 7.772 9.530 1.00 0.00 C ATOM 599 O GLU A 34 2.808 8.581 10.444 1.00 0.00 O ATOM 600 CB GLU A 34 5.072 6.378 9.636 1.00 0.00 C ATOM 601 CG GLU A 34 5.597 7.320 8.562 1.00 0.00 C ATOM 602 CD GLU A 34 7.082 7.142 8.309 1.00 0.00 C ATOM 603 OE1 GLU A 34 7.554 5.986 8.337 1.00 0.00 O ATOM 604 OE2 GLU A 34 7.772 8.158 8.084 1.00 0.00 O ATOM 0 H GLU A 34 3.547 4.986 8.228 1.00 0.00 H new ATOM 0 HA GLU A 34 3.323 6.115 10.834 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.528 6.645 10.589 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.396 5.364 9.401 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.051 7.149 7.634 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.403 8.350 8.861 1.00 0.00 H new ATOM 611 N TYR A 35 2.634 8.034 8.265 1.00 0.00 N ATOM 612 CA TYR A 35 2.062 9.319 7.865 1.00 0.00 C ATOM 613 C TYR A 35 0.570 9.404 8.199 1.00 0.00 C ATOM 614 O TYR A 35 0.107 10.409 8.736 1.00 0.00 O ATOM 615 CB TYR A 35 2.267 9.555 6.365 1.00 0.00 C ATOM 616 CG TYR A 35 1.622 10.831 5.862 1.00 0.00 C ATOM 617 CD1 TYR A 35 0.292 10.843 5.455 1.00 0.00 C ATOM 618 CD2 TYR A 35 2.336 12.023 5.804 1.00 0.00 C ATOM 619 CE1 TYR A 35 -0.305 12.005 5.004 1.00 0.00 C ATOM 620 CE2 TYR A 35 1.742 13.190 5.356 1.00 0.00 C ATOM 621 CZ TYR A 35 0.424 13.174 4.958 1.00 0.00 C ATOM 622 OH TYR A 35 -0.169 14.334 4.517 1.00 0.00 O ATOM 0 H TYR A 35 2.755 7.372 7.499 1.00 0.00 H new ATOM 0 HA TYR A 35 2.582 10.093 8.429 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.336 9.589 6.153 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.859 8.708 5.813 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.283 9.930 5.492 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.371 12.038 6.114 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.338 11.997 4.689 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.309 14.108 5.319 1.00 0.00 H new ATOM 0 HH TYR A 35 0.482 15.066 4.547 1.00 0.00 H new ATOM 632 N PHE A 36 -0.183 8.357 7.861 1.00 0.00 N ATOM 633 CA PHE A 36 -1.623 8.343 8.114 1.00 0.00 C ATOM 634 C PHE A 36 -1.934 8.321 9.613 1.00 0.00 C ATOM 635 O PHE A 36 -2.753 9.107 10.090 1.00 0.00 O ATOM 636 CB PHE A 36 -2.282 7.148 7.405 1.00 0.00 C ATOM 637 CG PHE A 36 -2.803 7.483 6.030 1.00 0.00 C ATOM 638 CD1 PHE A 36 -3.967 8.220 5.882 1.00 0.00 C ATOM 639 CD2 PHE A 36 -2.129 7.069 4.889 1.00 0.00 C ATOM 640 CE1 PHE A 36 -4.449 8.538 4.626 1.00 0.00 C ATOM 641 CE2 PHE A 36 -2.609 7.384 3.632 1.00 0.00 C ATOM 642 CZ PHE A 36 -3.769 8.119 3.500 1.00 0.00 C ATOM 0 H PHE A 36 0.177 7.514 7.415 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.039 9.265 7.707 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.557 6.338 7.324 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.105 6.780 8.018 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.504 8.550 6.759 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.220 6.494 4.985 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.357 9.114 4.526 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.076 7.055 2.752 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.144 8.366 2.518 1.00 0.00 H new ATOM 652 N THR A 37 -1.290 7.424 10.355 1.00 0.00 N ATOM 653 CA THR A 37 -1.525 7.329 11.796 1.00 0.00 C ATOM 654 C THR A 37 -1.346 8.688 12.469 1.00 0.00 C ATOM 655 O THR A 37 -2.239 9.173 13.163 1.00 0.00 O ATOM 656 CB THR A 37 -0.579 6.312 12.445 1.00 0.00 C ATOM 657 OG1 THR A 37 0.770 6.606 12.134 1.00 0.00 O ATOM 658 CG2 THR A 37 -0.845 4.881 12.037 1.00 0.00 C ATOM 0 H THR A 37 -0.609 6.759 9.989 1.00 0.00 H new ATOM 0 HA THR A 37 -2.553 6.994 11.935 1.00 0.00 H new ATOM 0 HB THR A 37 -0.767 6.401 13.515 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.965 6.318 11.218 1.00 0.00 H new ATOM 0 HG21 THR A 37 -0.135 4.222 12.537 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.860 4.604 12.322 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.732 4.783 10.957 1.00 0.00 H new ATOM 666 N ARG A 38 -0.181 9.293 12.264 1.00 0.00 N ATOM 667 CA ARG A 38 0.128 10.593 12.856 1.00 0.00 C ATOM 668 C ARG A 38 -0.911 11.644 12.465 1.00 0.00 C ATOM 669 O ARG A 38 -1.388 12.394 13.313 1.00 0.00 O ATOM 670 CB ARG A 38 1.536 11.050 12.434 1.00 0.00 C ATOM 671 CG ARG A 38 2.615 10.750 13.463 1.00 0.00 C ATOM 672 CD ARG A 38 2.761 9.255 13.708 1.00 0.00 C ATOM 673 NE ARG A 38 3.679 8.966 14.809 1.00 0.00 N ATOM 674 CZ ARG A 38 3.380 9.146 16.095 1.00 0.00 C ATOM 675 NH1 ARG A 38 2.191 9.613 16.452 1.00 0.00 N ATOM 676 NH2 ARG A 38 4.278 8.857 17.028 1.00 0.00 N ATOM 0 H ARG A 38 0.568 8.904 11.691 1.00 0.00 H new ATOM 0 HA ARG A 38 0.101 10.483 13.940 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.799 10.564 11.494 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.517 12.123 12.244 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.567 11.157 13.121 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.373 11.250 14.401 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.783 8.827 13.930 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.122 8.773 12.800 1.00 0.00 H new ATOM 0 HE ARG A 38 4.605 8.605 14.579 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.496 9.838 15.740 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.971 9.747 17.439 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.194 8.498 16.760 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.052 8.994 18.013 1.00 0.00 H new ATOM 690 N LEU A 39 -1.249 11.701 11.181 1.00 0.00 N ATOM 691 CA LEU A 39 -2.225 12.677 10.692 1.00 0.00 C ATOM 692 C LEU A 39 -3.483 12.682 11.562 1.00 0.00 C ATOM 693 O LEU A 39 -3.872 13.719 12.098 1.00 0.00 O ATOM 694 CB LEU A 39 -2.590 12.380 9.232 1.00 0.00 C ATOM 695 CG LEU A 39 -3.091 13.585 8.430 1.00 0.00 C ATOM 696 CD1 LEU A 39 -3.183 13.241 6.949 1.00 0.00 C ATOM 697 CD2 LEU A 39 -4.439 14.058 8.957 1.00 0.00 C ATOM 0 H LEU A 39 -0.866 11.088 10.461 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.770 13.666 10.749 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.714 11.969 8.731 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.359 11.607 9.216 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.375 14.398 8.549 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.541 14.109 6.395 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.198 12.956 6.580 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.876 12.412 6.811 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.777 14.915 8.374 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.167 13.251 8.872 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.339 14.348 10.003 1.00 0.00 H new ATOM 709 N ARG A 40 -4.111 11.520 11.702 1.00 0.00 N ATOM 710 CA ARG A 40 -5.320 11.394 12.509 1.00 0.00 C ATOM 711 C ARG A 40 -5.042 11.730 13.977 1.00 0.00 C ATOM 712 O ARG A 40 -5.770 12.507 14.595 1.00 0.00 O ATOM 713 CB ARG A 40 -5.887 9.972 12.391 1.00 0.00 C ATOM 714 CG ARG A 40 -7.352 9.927 11.993 1.00 0.00 C ATOM 715 CD ARG A 40 -7.896 8.514 12.073 1.00 0.00 C ATOM 716 NE ARG A 40 -8.017 8.069 13.457 1.00 0.00 N ATOM 717 CZ ARG A 40 -8.279 6.814 13.818 1.00 0.00 C ATOM 718 NH1 ARG A 40 -8.456 5.874 12.898 1.00 0.00 N ATOM 719 NH2 ARG A 40 -8.365 6.500 15.103 1.00 0.00 N ATOM 0 H ARG A 40 -3.803 10.651 11.267 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.055 12.105 12.132 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.303 9.418 11.656 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.764 9.461 13.346 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.930 10.580 12.647 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.468 10.308 10.978 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.871 8.470 11.588 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.238 7.837 11.528 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.893 8.763 14.195 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.392 6.111 11.908 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.656 4.915 13.181 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.231 7.219 15.814 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.566 5.539 15.381 1.00 0.00 H new ATOM 963 N PRO B 7 8.903 4.069 -8.464 1.00 0.00 N ATOM 964 CA PRO B 7 8.190 3.031 -9.219 1.00 0.00 C ATOM 965 C PRO B 7 7.523 1.989 -8.320 1.00 0.00 C ATOM 966 O PRO B 7 8.168 1.051 -7.852 1.00 0.00 O ATOM 967 CB PRO B 7 9.303 2.398 -10.059 1.00 0.00 C ATOM 968 CG PRO B 7 10.249 3.520 -10.308 1.00 0.00 C ATOM 969 CD PRO B 7 10.223 4.368 -9.060 1.00 0.00 C ATOM 0 HA PRO B 7 7.368 3.442 -9.805 1.00 0.00 H new ATOM 0 HB2 PRO B 7 9.787 1.578 -9.528 1.00 0.00 H new ATOM 0 HB3 PRO B 7 8.915 1.988 -10.992 1.00 0.00 H new ATOM 0 HG2 PRO B 7 11.254 3.147 -10.506 1.00 0.00 H new ATOM 0 HG3 PRO B 7 9.947 4.099 -11.180 1.00 0.00 H new ATOM 0 HD2 PRO B 7 11.037 4.109 -8.382 1.00 0.00 H new ATOM 0 HD3 PRO B 7 10.327 5.428 -9.293 1.00 0.00 H new ATOM 977 N GLY B 8 6.222 2.164 -8.087 1.00 0.00 N ATOM 978 CA GLY B 8 5.473 1.238 -7.248 1.00 0.00 C ATOM 979 C GLY B 8 4.437 1.942 -6.393 1.00 0.00 C ATOM 980 O GLY B 8 3.401 1.367 -6.061 1.00 0.00 O ATOM 0 H GLY B 8 5.671 2.934 -8.466 1.00 0.00 H new ATOM 0 HA2 GLY B 8 4.979 0.499 -7.879 1.00 0.00 H new ATOM 0 HA3 GLY B 8 6.164 0.695 -6.603 1.00 0.00 H new ATOM 984 N LEU B 9 4.719 3.191 -6.040 1.00 0.00 N ATOM 985 CA LEU B 9 3.805 3.979 -5.218 1.00 0.00 C ATOM 986 C LEU B 9 2.442 4.111 -5.887 1.00 0.00 C ATOM 987 O LEU B 9 1.409 4.033 -5.220 1.00 0.00 O ATOM 988 CB LEU B 9 4.396 5.366 -4.956 1.00 0.00 C ATOM 989 CG LEU B 9 3.739 6.149 -3.806 1.00 0.00 C ATOM 990 CD1 LEU B 9 4.767 7.011 -3.084 1.00 0.00 C ATOM 991 CD2 LEU B 9 2.592 7.009 -4.322 1.00 0.00 C ATOM 0 H LEU B 9 5.572 3.680 -6.309 1.00 0.00 H new ATOM 0 HA LEU B 9 3.670 3.461 -4.269 1.00 0.00 H new ATOM 0 HB2 LEU B 9 5.459 5.256 -4.739 1.00 0.00 H new ATOM 0 HB3 LEU B 9 4.316 5.956 -5.869 1.00 0.00 H new ATOM 0 HG LEU B 9 3.334 5.428 -3.096 1.00 0.00 H new ATOM 0 HD11 LEU B 9 4.281 7.556 -2.275 1.00 0.00 H new ATOM 0 HD12 LEU B 9 5.551 6.375 -2.673 1.00 0.00 H new ATOM 0 HD13 LEU B 9 5.205 7.720 -3.787 1.00 0.00 H new ATOM 0 HD21 LEU B 9 2.143 7.553 -3.491 1.00 0.00 H new ATOM 0 HD22 LEU B 9 2.971 7.718 -5.058 1.00 0.00 H new ATOM 0 HD23 LEU B 9 1.840 6.372 -4.787 1.00 0.00 H new ATOM 1003 N THR B 10 2.432 4.306 -7.201 1.00 0.00 N ATOM 1004 CA THR B 10 1.175 4.440 -7.930 1.00 0.00 C ATOM 1005 C THR B 10 0.245 3.273 -7.615 1.00 0.00 C ATOM 1006 O THR B 10 -0.948 3.460 -7.386 1.00 0.00 O ATOM 1007 CB THR B 10 1.424 4.514 -9.441 1.00 0.00 C ATOM 1008 OG1 THR B 10 2.446 5.452 -9.731 1.00 0.00 O ATOM 1009 CG2 THR B 10 0.189 4.906 -10.247 1.00 0.00 C ATOM 0 H THR B 10 3.270 4.374 -7.779 1.00 0.00 H new ATOM 0 HA THR B 10 0.700 5.367 -7.610 1.00 0.00 H new ATOM 0 HB THR B 10 1.714 3.505 -9.734 1.00 0.00 H new ATOM 0 HG1 THR B 10 2.594 5.486 -10.699 1.00 0.00 H new ATOM 0 HG21 THR B 10 0.441 4.938 -11.307 1.00 0.00 H new ATOM 0 HG22 THR B 10 -0.600 4.172 -10.084 1.00 0.00 H new ATOM 0 HG23 THR B 10 -0.158 5.889 -9.927 1.00 0.00 H new ATOM 1017 N GLU B 11 0.808 2.068 -7.604 1.00 0.00 N ATOM 1018 CA GLU B 11 0.042 0.860 -7.317 1.00 0.00 C ATOM 1019 C GLU B 11 -0.505 0.868 -5.890 1.00 0.00 C ATOM 1020 O GLU B 11 -1.635 0.446 -5.648 1.00 0.00 O ATOM 1021 CB GLU B 11 0.912 -0.380 -7.534 1.00 0.00 C ATOM 1022 CG GLU B 11 0.124 -1.680 -7.564 1.00 0.00 C ATOM 1023 CD GLU B 11 0.953 -2.854 -8.048 1.00 0.00 C ATOM 1024 OE1 GLU B 11 1.595 -3.516 -7.205 1.00 0.00 O ATOM 1025 OE2 GLU B 11 0.961 -3.112 -9.270 1.00 0.00 O ATOM 0 H GLU B 11 1.797 1.902 -7.792 1.00 0.00 H new ATOM 0 HA GLU B 11 -0.805 0.834 -8.002 1.00 0.00 H new ATOM 0 HB2 GLU B 11 1.455 -0.273 -8.473 1.00 0.00 H new ATOM 0 HB3 GLU B 11 1.656 -0.435 -6.740 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -0.254 -1.895 -6.564 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -0.743 -1.560 -8.214 1.00 0.00 H new ATOM 1032 N LEU B 12 0.304 1.344 -4.945 1.00 0.00 N ATOM 1033 CA LEU B 12 -0.102 1.394 -3.542 1.00 0.00 C ATOM 1034 C LEU B 12 -1.342 2.271 -3.363 1.00 0.00 C ATOM 1035 O LEU B 12 -2.368 1.808 -2.866 1.00 0.00 O ATOM 1036 CB LEU B 12 1.052 1.910 -2.669 1.00 0.00 C ATOM 1037 CG LEU B 12 1.950 0.825 -2.059 1.00 0.00 C ATOM 1038 CD1 LEU B 12 1.199 0.025 -1.000 1.00 0.00 C ATOM 1039 CD2 LEU B 12 2.488 -0.097 -3.144 1.00 0.00 C ATOM 0 H LEU B 12 1.243 1.700 -5.125 1.00 0.00 H new ATOM 0 HA LEU B 12 -0.354 0.382 -3.224 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.672 2.575 -3.271 1.00 0.00 H new ATOM 0 HB3 LEU B 12 0.634 2.509 -1.860 1.00 0.00 H new ATOM 0 HG LEU B 12 2.793 1.318 -1.575 1.00 0.00 H new ATOM 0 HD11 LEU B 12 1.858 -0.737 -0.584 1.00 0.00 H new ATOM 0 HD12 LEU B 12 0.870 0.694 -0.205 1.00 0.00 H new ATOM 0 HD13 LEU B 12 0.331 -0.454 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU B 12 3.122 -0.859 -2.692 1.00 0.00 H new ATOM 0 HD22 LEU B 12 1.656 -0.576 -3.660 1.00 0.00 H new ATOM 0 HD23 LEU B 12 3.072 0.484 -3.858 1.00 0.00 H new ATOM 1051 N LEU B 13 -1.250 3.531 -3.777 1.00 0.00 N ATOM 1052 CA LEU B 13 -2.380 4.447 -3.663 1.00 0.00 C ATOM 1053 C LEU B 13 -3.557 3.928 -4.481 1.00 0.00 C ATOM 1054 O LEU B 13 -4.715 4.091 -4.100 1.00 0.00 O ATOM 1055 CB LEU B 13 -1.988 5.850 -4.140 1.00 0.00 C ATOM 1056 CG LEU B 13 -0.873 6.529 -3.336 1.00 0.00 C ATOM 1057 CD1 LEU B 13 -0.607 7.930 -3.877 1.00 0.00 C ATOM 1058 CD2 LEU B 13 -1.232 6.577 -1.854 1.00 0.00 C ATOM 0 H LEU B 13 -0.412 3.939 -4.191 1.00 0.00 H new ATOM 0 HA LEU B 13 -2.672 4.507 -2.615 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -1.675 5.787 -5.182 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -2.873 6.486 -4.111 1.00 0.00 H new ATOM 0 HG LEU B 13 0.039 5.942 -3.443 1.00 0.00 H new ATOM 0 HD11 LEU B 13 0.187 8.400 -3.296 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -0.303 7.865 -4.922 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -1.515 8.528 -3.800 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -0.428 7.062 -1.300 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -2.156 7.140 -1.721 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -1.369 5.562 -1.480 1.00 0.00 H new ATOM 1070 N GLN B 14 -3.243 3.295 -5.605 1.00 0.00 N ATOM 1071 CA GLN B 14 -4.259 2.740 -6.486 1.00 0.00 C ATOM 1072 C GLN B 14 -4.911 1.525 -5.839 1.00 0.00 C ATOM 1073 O GLN B 14 -6.101 1.273 -6.026 1.00 0.00 O ATOM 1074 CB GLN B 14 -3.625 2.365 -7.826 1.00 0.00 C ATOM 1075 CG GLN B 14 -4.631 2.007 -8.903 1.00 0.00 C ATOM 1076 CD GLN B 14 -5.049 0.554 -8.853 1.00 0.00 C ATOM 1077 OE1 GLN B 14 -6.339 0.312 -9.007 1.00 0.00 O flip ATOM 1078 NE2 GLN B 14 -4.220 -0.339 -8.676 1.00 0.00 N flip ATOM 0 H GLN B 14 -2.286 3.154 -5.928 1.00 0.00 H new ATOM 0 HA GLN B 14 -5.033 3.487 -6.660 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -3.016 3.199 -8.174 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -2.953 1.520 -7.675 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -5.513 2.638 -8.795 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -4.202 2.224 -9.881 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -3.234 -0.104 -8.562 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -4.519 -1.314 -8.643 1.00 0.00 H new ATOM 1087 N GLY B 15 -4.126 0.783 -5.067 1.00 0.00 N ATOM 1088 CA GLY B 15 -4.639 -0.392 -4.388 1.00 0.00 C ATOM 1089 C GLY B 15 -5.635 -0.039 -3.299 1.00 0.00 C ATOM 1090 O GLY B 15 -6.572 -0.790 -3.032 1.00 0.00 O ATOM 0 H GLY B 15 -3.139 0.975 -4.899 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -5.116 -1.049 -5.115 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -3.809 -0.948 -3.952 1.00 0.00 H new ATOM 1094 N TYR B 16 -5.426 1.113 -2.668 1.00 0.00 N ATOM 1095 CA TYR B 16 -6.308 1.583 -1.603 1.00 0.00 C ATOM 1096 C TYR B 16 -7.565 2.224 -2.184 1.00 0.00 C ATOM 1097 O TYR B 16 -8.675 1.975 -1.715 1.00 0.00 O ATOM 1098 CB TYR B 16 -5.567 2.590 -0.712 1.00 0.00 C ATOM 1099 CG TYR B 16 -6.467 3.378 0.226 1.00 0.00 C ATOM 1100 CD1 TYR B 16 -6.994 2.791 1.371 1.00 0.00 C ATOM 1101 CD2 TYR B 16 -6.784 4.709 -0.032 1.00 0.00 C ATOM 1102 CE1 TYR B 16 -7.808 3.505 2.232 1.00 0.00 C ATOM 1103 CE2 TYR B 16 -7.599 5.429 0.824 1.00 0.00 C ATOM 1104 CZ TYR B 16 -8.106 4.822 1.952 1.00 0.00 C ATOM 1105 OH TYR B 16 -8.915 5.537 2.805 1.00 0.00 O ATOM 0 H TYR B 16 -4.650 1.741 -2.877 1.00 0.00 H new ATOM 0 HA TYR B 16 -6.607 0.725 -1.001 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -4.824 2.055 -0.120 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -5.024 3.289 -1.348 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -6.764 1.759 1.592 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -6.387 5.188 -0.915 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -8.208 3.034 3.118 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -7.836 6.460 0.609 1.00 0.00 H new ATOM 0 HH TYR B 16 -8.576 6.453 2.886 1.00 0.00 H new ATOM 1115 N THR B 17 -7.380 3.076 -3.187 1.00 0.00 N ATOM 1116 CA THR B 17 -8.498 3.780 -3.805 1.00 0.00 C ATOM 1117 C THR B 17 -9.541 2.823 -4.397 1.00 0.00 C ATOM 1118 O THR B 17 -10.729 3.131 -4.414 1.00 0.00 O ATOM 1119 CB THR B 17 -8.000 4.754 -4.876 1.00 0.00 C ATOM 1120 OG1 THR B 17 -6.790 5.367 -4.464 1.00 0.00 O ATOM 1121 CG2 THR B 17 -8.990 5.863 -5.197 1.00 0.00 C ATOM 0 H THR B 17 -6.468 3.295 -3.589 1.00 0.00 H new ATOM 0 HA THR B 17 -8.991 4.343 -3.013 1.00 0.00 H new ATOM 0 HB THR B 17 -7.859 4.150 -5.772 1.00 0.00 H new ATOM 0 HG1 THR B 17 -6.030 4.869 -4.831 1.00 0.00 H new ATOM 0 HG21 THR B 17 -8.570 6.515 -5.963 1.00 0.00 H new ATOM 0 HG22 THR B 17 -9.920 5.426 -5.561 1.00 0.00 H new ATOM 0 HG23 THR B 17 -9.190 6.444 -4.297 1.00 0.00 H new ATOM 1129 N VAL B 18 -9.111 1.668 -4.888 1.00 0.00 N ATOM 1130 CA VAL B 18 -10.059 0.717 -5.467 1.00 0.00 C ATOM 1131 C VAL B 18 -11.103 0.293 -4.435 1.00 0.00 C ATOM 1132 O VAL B 18 -12.219 -0.083 -4.788 1.00 0.00 O ATOM 1133 CB VAL B 18 -9.372 -0.544 -6.038 1.00 0.00 C ATOM 1134 CG1 VAL B 18 -8.728 -0.243 -7.382 1.00 0.00 C ATOM 1135 CG2 VAL B 18 -8.346 -1.099 -5.062 1.00 0.00 C ATOM 0 H VAL B 18 -8.136 1.369 -4.899 1.00 0.00 H new ATOM 0 HA VAL B 18 -10.541 1.239 -6.294 1.00 0.00 H new ATOM 0 HB VAL B 18 -10.138 -1.305 -6.187 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -8.250 -1.144 -7.766 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -9.492 0.091 -8.085 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -7.980 0.540 -7.260 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -7.879 -1.986 -5.490 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -7.583 -0.345 -4.868 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -8.840 -1.365 -4.127 1.00 0.00 H new ATOM 1145 N GLU B 19 -10.731 0.368 -3.159 1.00 0.00 N ATOM 1146 CA GLU B 19 -11.636 -0.002 -2.072 1.00 0.00 C ATOM 1147 C GLU B 19 -12.653 1.109 -1.805 1.00 0.00 C ATOM 1148 O GLU B 19 -13.860 0.866 -1.813 1.00 0.00 O ATOM 1149 CB GLU B 19 -10.842 -0.315 -0.802 1.00 0.00 C ATOM 1150 CG GLU B 19 -10.055 -1.615 -0.885 1.00 0.00 C ATOM 1151 CD GLU B 19 -9.598 -2.116 0.473 1.00 0.00 C ATOM 1152 OE1 GLU B 19 -9.807 -1.397 1.472 1.00 0.00 O ATOM 1153 OE2 GLU B 19 -9.034 -3.227 0.535 1.00 0.00 O ATOM 0 H GLU B 19 -9.810 0.681 -2.852 1.00 0.00 H new ATOM 0 HA GLU B 19 -12.182 -0.896 -2.373 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -10.153 0.506 -0.602 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -11.529 -0.368 0.043 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -10.672 -2.378 -1.359 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -9.184 -1.467 -1.524 1.00 0.00 H new ATOM 1160 N VAL B 20 -12.166 2.328 -1.577 1.00 0.00 N ATOM 1161 CA VAL B 20 -13.054 3.462 -1.320 1.00 0.00 C ATOM 1162 C VAL B 20 -14.051 3.626 -2.462 1.00 0.00 C ATOM 1163 O VAL B 20 -15.228 3.899 -2.241 1.00 0.00 O ATOM 1164 CB VAL B 20 -12.274 4.783 -1.125 1.00 0.00 C ATOM 1165 CG1 VAL B 20 -11.414 4.716 0.128 1.00 0.00 C ATOM 1166 CG2 VAL B 20 -11.430 5.098 -2.344 1.00 0.00 C ATOM 0 H VAL B 20 -11.172 2.555 -1.565 1.00 0.00 H new ATOM 0 HA VAL B 20 -13.585 3.245 -0.393 1.00 0.00 H new ATOM 0 HB VAL B 20 -12.996 5.590 -1.000 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -10.873 5.654 0.248 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -12.050 4.550 0.997 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -10.702 3.896 0.037 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -10.891 6.032 -2.182 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -10.716 4.291 -2.511 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -12.075 5.198 -3.217 1.00 0.00 H new ATOM 1176 N LEU B 21 -13.570 3.444 -3.686 1.00 0.00 N ATOM 1177 CA LEU B 21 -14.423 3.556 -4.864 1.00 0.00 C ATOM 1178 C LEU B 21 -15.575 2.550 -4.785 1.00 0.00 C ATOM 1179 O LEU B 21 -16.710 2.858 -5.150 1.00 0.00 O ATOM 1180 CB LEU B 21 -13.596 3.321 -6.144 1.00 0.00 C ATOM 1181 CG LEU B 21 -13.052 4.582 -6.841 1.00 0.00 C ATOM 1182 CD1 LEU B 21 -14.149 5.287 -7.626 1.00 0.00 C ATOM 1183 CD2 LEU B 21 -12.409 5.531 -5.838 1.00 0.00 C ATOM 0 H LEU B 21 -12.596 3.219 -3.889 1.00 0.00 H new ATOM 0 HA LEU B 21 -14.842 4.562 -4.897 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -12.753 2.677 -5.894 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -14.214 2.775 -6.856 1.00 0.00 H new ATOM 0 HG LEU B 21 -12.282 4.266 -7.544 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -13.739 6.174 -8.108 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -14.545 4.612 -8.385 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -14.950 5.581 -6.948 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -12.034 6.412 -6.359 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -13.150 5.835 -5.098 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -11.582 5.026 -5.338 1.00 0.00 H new ATOM 1195 N ARG B 22 -15.263 1.338 -4.327 1.00 0.00 N ATOM 1196 CA ARG B 22 -16.256 0.269 -4.220 1.00 0.00 C ATOM 1197 C ARG B 22 -17.263 0.484 -3.085 1.00 0.00 C ATOM 1198 O ARG B 22 -18.457 0.248 -3.267 1.00 0.00 O ATOM 1199 CB ARG B 22 -15.555 -1.077 -4.008 1.00 0.00 C ATOM 1200 CG ARG B 22 -14.677 -1.519 -5.178 1.00 0.00 C ATOM 1201 CD ARG B 22 -15.299 -2.669 -5.954 1.00 0.00 C ATOM 1202 NE ARG B 22 -16.601 -2.319 -6.517 1.00 0.00 N ATOM 1203 CZ ARG B 22 -17.366 -3.168 -7.199 1.00 0.00 C ATOM 1204 NH1 ARG B 22 -16.963 -4.417 -7.404 1.00 0.00 N ATOM 1205 NH2 ARG B 22 -18.536 -2.769 -7.678 1.00 0.00 N ATOM 0 H ARG B 22 -14.327 1.071 -4.023 1.00 0.00 H new ATOM 0 HA ARG B 22 -16.813 0.278 -5.157 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -14.940 -1.016 -3.110 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -16.310 -1.842 -3.826 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -14.515 -0.675 -5.848 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -13.699 -1.821 -4.803 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -14.626 -2.967 -6.758 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -15.410 -3.530 -5.295 1.00 0.00 H new ATOM 0 HE ARG B 22 -16.944 -1.368 -6.379 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -16.064 -4.729 -7.038 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -17.553 -5.064 -7.927 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -18.850 -1.811 -7.524 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -19.122 -3.420 -8.201 1.00 0.00 H new ATOM 1219 N GLN B 23 -16.784 0.888 -1.905 1.00 0.00 N ATOM 1220 CA GLN B 23 -17.663 1.073 -0.744 1.00 0.00 C ATOM 1221 C GLN B 23 -17.923 2.542 -0.442 1.00 0.00 C ATOM 1222 O GLN B 23 -19.060 2.936 -0.190 1.00 0.00 O ATOM 1223 CB GLN B 23 -17.048 0.396 0.483 1.00 0.00 C ATOM 1224 CG GLN B 23 -16.983 -1.123 0.373 1.00 0.00 C ATOM 1225 CD GLN B 23 -15.916 -1.730 1.262 1.00 0.00 C ATOM 1226 OE1 GLN B 23 -16.210 -2.529 2.151 1.00 0.00 O ATOM 1227 NE2 GLN B 23 -14.667 -1.352 1.023 1.00 0.00 N ATOM 0 H GLN B 23 -15.801 1.092 -1.728 1.00 0.00 H new ATOM 0 HA GLN B 23 -18.622 0.615 -0.986 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -16.041 0.784 0.635 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -17.630 0.664 1.365 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -17.953 -1.544 0.638 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -16.787 -1.400 -0.663 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -14.470 -0.687 0.275 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -13.904 -1.726 1.587 1.00 0.00 H new ATOM 1236 N GLN B 24 -16.864 3.342 -0.449 1.00 0.00 N ATOM 1237 CA GLN B 24 -16.972 4.768 -0.156 1.00 0.00 C ATOM 1238 C GLN B 24 -17.210 4.981 1.343 1.00 0.00 C ATOM 1239 O GLN B 24 -18.321 5.306 1.760 1.00 0.00 O ATOM 1240 CB GLN B 24 -18.107 5.423 -0.966 1.00 0.00 C ATOM 1241 CG GLN B 24 -18.162 5.005 -2.440 1.00 0.00 C ATOM 1242 CD GLN B 24 -17.581 6.047 -3.381 1.00 0.00 C ATOM 1243 OE1 GLN B 24 -17.603 7.244 -3.095 1.00 0.00 O ATOM 1244 NE2 GLN B 24 -17.060 5.590 -4.514 1.00 0.00 N ATOM 0 H GLN B 24 -15.916 3.027 -0.655 1.00 0.00 H new ATOM 0 HA GLN B 24 -16.034 5.241 -0.445 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -19.059 5.177 -0.496 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -17.995 6.506 -0.913 1.00 0.00 H new ATOM 0 HG2 GLN B 24 -17.619 4.068 -2.566 1.00 0.00 H new ATOM 0 HG3 GLN B 24 -19.198 4.812 -2.718 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -17.063 4.589 -4.710 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -16.656 6.240 -5.188 1.00 0.00 H new ATOM 1253 N PRO B 25 -16.171 4.783 2.180 1.00 0.00 N ATOM 1254 CA PRO B 25 -16.289 4.937 3.638 1.00 0.00 C ATOM 1255 C PRO B 25 -16.599 6.374 4.060 1.00 0.00 C ATOM 1256 O PRO B 25 -16.557 7.291 3.239 1.00 0.00 O ATOM 1257 CB PRO B 25 -14.913 4.498 4.160 1.00 0.00 C ATOM 1258 CG PRO B 25 -13.996 4.688 3.004 1.00 0.00 C ATOM 1259 CD PRO B 25 -14.810 4.376 1.783 1.00 0.00 C ATOM 0 HA PRO B 25 -17.115 4.350 4.039 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -14.603 5.099 5.015 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -14.927 3.459 4.489 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -13.615 5.709 2.970 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -13.132 4.028 3.077 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -14.461 4.931 0.912 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -14.764 3.318 1.526 1.00 0.00 H new ATOM 1267 N PRO B 26 -16.920 6.592 5.354 1.00 0.00 N ATOM 1268 CA PRO B 26 -17.240 7.922 5.876 1.00 0.00 C ATOM 1269 C PRO B 26 -16.001 8.797 6.046 1.00 0.00 C ATOM 1270 O PRO B 26 -16.080 10.020 5.941 1.00 0.00 O ATOM 1271 CB PRO B 26 -17.892 7.639 7.248 1.00 0.00 C ATOM 1272 CG PRO B 26 -18.044 6.152 7.328 1.00 0.00 C ATOM 1273 CD PRO B 26 -17.005 5.575 6.412 1.00 0.00 C ATOM 0 HA PRO B 26 -17.887 8.473 5.193 1.00 0.00 H new ATOM 0 HB2 PRO B 26 -17.270 8.013 8.061 1.00 0.00 H new ATOM 0 HB3 PRO B 26 -18.858 8.136 7.332 1.00 0.00 H new ATOM 0 HG2 PRO B 26 -17.901 5.800 8.350 1.00 0.00 H new ATOM 0 HG3 PRO B 26 -19.045 5.846 7.023 1.00 0.00 H new ATOM 0 HD2 PRO B 26 -16.050 5.434 6.918 1.00 0.00 H new ATOM 0 HD3 PRO B 26 -17.304 4.603 6.019 1.00 0.00 H new ATOM 1281 N ASP B 27 -14.857 8.164 6.319 1.00 0.00 N ATOM 1282 CA ASP B 27 -13.606 8.892 6.514 1.00 0.00 C ATOM 1283 C ASP B 27 -12.474 8.263 5.712 1.00 0.00 C ATOM 1284 O ASP B 27 -12.269 7.051 5.745 1.00 0.00 O ATOM 1285 CB ASP B 27 -13.242 8.928 8.001 1.00 0.00 C ATOM 1286 CG ASP B 27 -14.172 9.818 8.802 1.00 0.00 C ATOM 1287 OD1 ASP B 27 -13.921 11.040 8.860 1.00 0.00 O ATOM 1288 OD2 ASP B 27 -15.152 9.293 9.370 1.00 0.00 O ATOM 0 H ASP B 27 -14.774 7.151 6.409 1.00 0.00 H new ATOM 0 HA ASP B 27 -13.749 9.912 6.157 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -13.275 7.916 8.405 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -12.218 9.283 8.113 1.00 0.00 H new ATOM 1293 N LEU B 28 -11.744 9.107 4.993 1.00 0.00 N ATOM 1294 CA LEU B 28 -10.630 8.657 4.173 1.00 0.00 C ATOM 1295 C LEU B 28 -9.398 8.389 5.034 1.00 0.00 C ATOM 1296 O LEU B 28 -8.762 7.342 4.915 1.00 0.00 O ATOM 1297 CB LEU B 28 -10.318 9.711 3.110 1.00 0.00 C ATOM 1298 CG LEU B 28 -11.376 9.846 2.007 1.00 0.00 C ATOM 1299 CD1 LEU B 28 -11.354 11.245 1.405 1.00 0.00 C ATOM 1300 CD2 LEU B 28 -11.163 8.792 0.926 1.00 0.00 C ATOM 0 H LEU B 28 -11.907 10.113 4.963 1.00 0.00 H new ATOM 0 HA LEU B 28 -10.908 7.724 3.683 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -10.200 10.677 3.600 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -9.361 9.469 2.648 1.00 0.00 H new ATOM 0 HG LEU B 28 -12.357 9.684 2.455 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -12.112 11.318 0.625 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -11.562 11.979 2.183 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -10.372 11.441 0.975 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -11.923 8.905 0.153 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -10.175 8.919 0.484 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -11.238 7.798 1.367 1.00 0.00 H new ATOM 1312 N VAL B 29 -9.067 9.343 5.901 1.00 0.00 N ATOM 1313 CA VAL B 29 -7.911 9.206 6.780 1.00 0.00 C ATOM 1314 C VAL B 29 -8.043 7.973 7.670 1.00 0.00 C ATOM 1315 O VAL B 29 -7.072 7.254 7.891 1.00 0.00 O ATOM 1316 CB VAL B 29 -7.715 10.460 7.665 1.00 0.00 C ATOM 1317 CG1 VAL B 29 -8.911 10.671 8.583 1.00 0.00 C ATOM 1318 CG2 VAL B 29 -6.423 10.359 8.470 1.00 0.00 C ATOM 0 H VAL B 29 -9.582 10.216 6.013 1.00 0.00 H new ATOM 0 HA VAL B 29 -7.037 9.094 6.138 1.00 0.00 H new ATOM 0 HB VAL B 29 -7.638 11.327 7.009 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -8.748 11.559 9.194 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -9.811 10.804 7.983 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -9.031 9.802 9.230 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -6.306 11.252 9.085 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -6.462 9.479 9.112 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -5.576 10.274 7.789 1.00 0.00 H new ATOM 1328 N GLU B 30 -9.249 7.738 8.179 1.00 0.00 N ATOM 1329 CA GLU B 30 -9.507 6.595 9.047 1.00 0.00 C ATOM 1330 C GLU B 30 -9.355 5.281 8.283 1.00 0.00 C ATOM 1331 O GLU B 30 -8.579 4.408 8.673 1.00 0.00 O ATOM 1332 CB GLU B 30 -10.915 6.693 9.641 1.00 0.00 C ATOM 1333 CG GLU B 30 -11.126 5.812 10.862 1.00 0.00 C ATOM 1334 CD GLU B 30 -12.593 5.656 11.222 1.00 0.00 C ATOM 1335 OE1 GLU B 30 -13.239 4.728 10.691 1.00 0.00 O ATOM 1336 OE2 GLU B 30 -13.094 6.463 12.033 1.00 0.00 O ATOM 0 H GLU B 30 -10.064 8.326 8.004 1.00 0.00 H new ATOM 0 HA GLU B 30 -8.774 6.609 9.854 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -11.114 7.730 9.913 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -11.642 6.419 8.876 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -10.695 4.829 10.675 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -10.591 6.239 11.710 1.00 0.00 H new ATOM 1343 N PHE B 31 -10.109 5.151 7.199 1.00 0.00 N ATOM 1344 CA PHE B 31 -10.077 3.950 6.371 1.00 0.00 C ATOM 1345 C PHE B 31 -8.670 3.646 5.858 1.00 0.00 C ATOM 1346 O PHE B 31 -8.353 2.500 5.538 1.00 0.00 O ATOM 1347 CB PHE B 31 -11.039 4.114 5.196 1.00 0.00 C ATOM 1348 CG PHE B 31 -11.247 2.852 4.408 1.00 0.00 C ATOM 1349 CD1 PHE B 31 -11.857 1.754 4.990 1.00 0.00 C ATOM 1350 CD2 PHE B 31 -10.838 2.766 3.088 1.00 0.00 C ATOM 1351 CE1 PHE B 31 -12.055 0.591 4.270 1.00 0.00 C ATOM 1352 CE2 PHE B 31 -11.033 1.607 2.361 1.00 0.00 C ATOM 1353 CZ PHE B 31 -11.642 0.518 2.954 1.00 0.00 C ATOM 0 H PHE B 31 -10.755 5.868 6.870 1.00 0.00 H new ATOM 0 HA PHE B 31 -10.387 3.108 6.990 1.00 0.00 H new ATOM 0 HB2 PHE B 31 -12.002 4.461 5.571 1.00 0.00 H new ATOM 0 HB3 PHE B 31 -10.658 4.889 4.531 1.00 0.00 H new ATOM 0 HD1 PHE B 31 -12.182 1.807 6.019 1.00 0.00 H new ATOM 0 HD2 PHE B 31 -10.361 3.615 2.621 1.00 0.00 H new ATOM 0 HE1 PHE B 31 -12.532 -0.259 4.735 1.00 0.00 H new ATOM 0 HE2 PHE B 31 -10.710 1.553 1.332 1.00 0.00 H new ATOM 0 HZ PHE B 31 -11.795 -0.390 2.389 1.00 0.00 H new ATOM 1363 N ALA B 32 -7.837 4.676 5.762 1.00 0.00 N ATOM 1364 CA ALA B 32 -6.472 4.517 5.265 1.00 0.00 C ATOM 1365 C ALA B 32 -5.533 3.905 6.301 1.00 0.00 C ATOM 1366 O ALA B 32 -4.732 3.030 5.975 1.00 0.00 O ATOM 1367 CB ALA B 32 -5.938 5.859 4.793 1.00 0.00 C ATOM 0 H ALA B 32 -8.082 5.632 6.022 1.00 0.00 H new ATOM 0 HA ALA B 32 -6.510 3.819 4.429 1.00 0.00 H new ATOM 0 HB1 ALA B 32 -4.920 5.736 4.423 1.00 0.00 H new ATOM 0 HB2 ALA B 32 -6.571 6.241 3.992 1.00 0.00 H new ATOM 0 HB3 ALA B 32 -5.939 6.564 5.624 1.00 0.00 H new ATOM 1373 N VAL B 33 -5.618 4.367 7.543 1.00 0.00 N ATOM 1374 CA VAL B 33 -4.743 3.844 8.595 1.00 0.00 C ATOM 1375 C VAL B 33 -4.903 2.332 8.736 1.00 0.00 C ATOM 1376 O VAL B 33 -3.946 1.577 8.576 1.00 0.00 O ATOM 1377 CB VAL B 33 -4.977 4.514 9.981 1.00 0.00 C ATOM 1378 CG1 VAL B 33 -3.662 4.651 10.736 1.00 0.00 C ATOM 1379 CG2 VAL B 33 -5.646 5.875 9.840 1.00 0.00 C ATOM 0 H VAL B 33 -6.270 5.090 7.847 1.00 0.00 H new ATOM 0 HA VAL B 33 -3.728 4.086 8.280 1.00 0.00 H new ATOM 0 HB VAL B 33 -5.647 3.869 10.549 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -3.845 5.121 11.702 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -3.226 3.664 10.889 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -2.973 5.266 10.158 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -5.793 6.312 10.828 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -5.013 6.532 9.243 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -6.611 5.757 9.348 1.00 0.00 H new ATOM 1389 N GLU B 34 -6.125 1.902 9.037 1.00 0.00 N ATOM 1390 CA GLU B 34 -6.426 0.482 9.207 1.00 0.00 C ATOM 1391 C GLU B 34 -5.968 -0.339 8.002 1.00 0.00 C ATOM 1392 O GLU B 34 -5.447 -1.444 8.152 1.00 0.00 O ATOM 1393 CB GLU B 34 -7.928 0.285 9.428 1.00 0.00 C ATOM 1394 CG GLU B 34 -8.451 0.958 10.688 1.00 0.00 C ATOM 1395 CD GLU B 34 -9.886 0.581 10.996 1.00 0.00 C ATOM 1396 OE1 GLU B 34 -10.746 0.739 10.104 1.00 0.00 O ATOM 1397 OE2 GLU B 34 -10.152 0.130 12.130 1.00 0.00 O ATOM 0 H GLU B 34 -6.927 2.519 9.169 1.00 0.00 H new ATOM 0 HA GLU B 34 -5.879 0.130 10.082 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -8.468 0.677 8.566 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -8.142 -0.782 9.480 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -7.818 0.684 11.532 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -8.380 2.040 10.574 1.00 0.00 H new ATOM 1404 N TYR B 35 -6.170 0.207 6.808 1.00 0.00 N ATOM 1405 CA TYR B 35 -5.783 -0.476 5.576 1.00 0.00 C ATOM 1406 C TYR B 35 -4.271 -0.686 5.514 1.00 0.00 C ATOM 1407 O TYR B 35 -3.807 -1.792 5.238 1.00 0.00 O ATOM 1408 CB TYR B 35 -6.251 0.331 4.361 1.00 0.00 C ATOM 1409 CG TYR B 35 -5.792 -0.234 3.030 1.00 0.00 C ATOM 1410 CD1 TYR B 35 -4.493 -0.033 2.580 1.00 0.00 C ATOM 1411 CD2 TYR B 35 -6.659 -0.961 2.220 1.00 0.00 C ATOM 1412 CE1 TYR B 35 -4.070 -0.540 1.367 1.00 0.00 C ATOM 1413 CE2 TYR B 35 -6.243 -1.470 1.004 1.00 0.00 C ATOM 1414 CZ TYR B 35 -4.948 -1.257 0.583 1.00 0.00 C ATOM 1415 OH TYR B 35 -4.529 -1.763 -0.628 1.00 0.00 O ATOM 0 H TYR B 35 -6.600 1.121 6.666 1.00 0.00 H new ATOM 0 HA TYR B 35 -6.262 -1.455 5.565 1.00 0.00 H new ATOM 0 HB2 TYR B 35 -7.340 0.379 4.367 1.00 0.00 H new ATOM 0 HB3 TYR B 35 -5.886 1.354 4.455 1.00 0.00 H new ATOM 0 HD1 TYR B 35 -3.802 0.530 3.190 1.00 0.00 H new ATOM 0 HD2 TYR B 35 -7.674 -1.130 2.547 1.00 0.00 H new ATOM 0 HE1 TYR B 35 -3.056 -0.375 1.034 1.00 0.00 H new ATOM 0 HE2 TYR B 35 -6.929 -2.032 0.387 1.00 0.00 H new ATOM 0 HH TYR B 35 -5.269 -2.243 -1.055 1.00 0.00 H new ATOM 1425 N PHE B 36 -3.505 0.370 5.759 1.00 0.00 N ATOM 1426 CA PHE B 36 -2.049 0.276 5.711 1.00 0.00 C ATOM 1427 C PHE B 36 -1.506 -0.600 6.842 1.00 0.00 C ATOM 1428 O PHE B 36 -0.431 -1.186 6.716 1.00 0.00 O ATOM 1429 CB PHE B 36 -1.423 1.676 5.750 1.00 0.00 C ATOM 1430 CG PHE B 36 -1.359 2.327 4.392 1.00 0.00 C ATOM 1431 CD1 PHE B 36 -0.500 1.837 3.422 1.00 0.00 C ATOM 1432 CD2 PHE B 36 -2.162 3.416 4.080 1.00 0.00 C ATOM 1433 CE1 PHE B 36 -0.442 2.416 2.169 1.00 0.00 C ATOM 1434 CE2 PHE B 36 -2.105 3.999 2.828 1.00 0.00 C ATOM 1435 CZ PHE B 36 -1.244 3.498 1.871 1.00 0.00 C ATOM 0 H PHE B 36 -3.863 1.296 5.992 1.00 0.00 H new ATOM 0 HA PHE B 36 -1.773 -0.201 4.771 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -2.001 2.308 6.424 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -0.416 1.607 6.162 1.00 0.00 H new ATOM 0 HD1 PHE B 36 0.133 0.991 3.648 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -2.838 3.812 4.823 1.00 0.00 H new ATOM 0 HE1 PHE B 36 0.231 2.021 1.423 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -2.734 4.846 2.598 1.00 0.00 H new ATOM 0 HZ PHE B 36 -1.199 3.952 0.892 1.00 0.00 H new ATOM 1445 N THR B 37 -2.255 -0.704 7.938 1.00 0.00 N ATOM 1446 CA THR B 37 -1.835 -1.533 9.068 1.00 0.00 C ATOM 1447 C THR B 37 -2.080 -3.007 8.760 1.00 0.00 C ATOM 1448 O THR B 37 -1.255 -3.866 9.070 1.00 0.00 O ATOM 1449 CB THR B 37 -2.589 -1.138 10.340 1.00 0.00 C ATOM 1450 OG1 THR B 37 -3.986 -1.254 10.151 1.00 0.00 O ATOM 1451 CG2 THR B 37 -2.304 0.276 10.801 1.00 0.00 C ATOM 0 H THR B 37 -3.148 -0.229 8.068 1.00 0.00 H new ATOM 0 HA THR B 37 -0.769 -1.373 9.230 1.00 0.00 H new ATOM 0 HB THR B 37 -2.233 -1.827 11.106 1.00 0.00 H new ATOM 0 HG1 THR B 37 -4.175 -1.417 9.203 1.00 0.00 H new ATOM 0 HG21 THR B 37 -2.873 0.485 11.707 1.00 0.00 H new ATOM 0 HG22 THR B 37 -1.239 0.384 11.008 1.00 0.00 H new ATOM 0 HG23 THR B 37 -2.594 0.979 10.020 1.00 0.00 H new ATOM 1459 N ARG B 38 -3.221 -3.285 8.136 1.00 0.00 N ATOM 1460 CA ARG B 38 -3.583 -4.654 7.771 1.00 0.00 C ATOM 1461 C ARG B 38 -2.497 -5.263 6.884 1.00 0.00 C ATOM 1462 O ARG B 38 -2.107 -6.416 7.063 1.00 0.00 O ATOM 1463 CB ARG B 38 -4.947 -4.685 7.053 1.00 0.00 C ATOM 1464 CG ARG B 38 -6.008 -5.497 7.784 1.00 0.00 C ATOM 1465 CD ARG B 38 -7.370 -5.363 7.119 1.00 0.00 C ATOM 1466 NE ARG B 38 -8.437 -5.951 7.927 1.00 0.00 N ATOM 1467 CZ ARG B 38 -8.665 -7.261 8.027 1.00 0.00 C ATOM 1468 NH1 ARG B 38 -7.897 -8.131 7.379 1.00 0.00 N ATOM 1469 NH2 ARG B 38 -9.662 -7.702 8.779 1.00 0.00 N ATOM 0 H ARG B 38 -3.911 -2.582 7.872 1.00 0.00 H new ATOM 0 HA ARG B 38 -3.667 -5.246 8.682 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -5.306 -3.663 6.930 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -4.812 -5.098 6.053 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -5.714 -6.546 7.805 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -6.073 -5.163 8.820 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -7.586 -4.309 6.946 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -7.346 -5.848 6.143 1.00 0.00 H new ATOM 0 HE ARG B 38 -9.046 -5.319 8.447 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -7.126 -7.798 6.800 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -8.078 -9.131 7.461 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -10.254 -7.040 9.281 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -9.838 -8.704 8.857 1.00 0.00 H new ATOM 1483 N LEU B 39 -2.019 -4.475 5.927 1.00 0.00 N ATOM 1484 CA LEU B 39 -0.981 -4.929 5.009 1.00 0.00 C ATOM 1485 C LEU B 39 0.310 -5.239 5.764 1.00 0.00 C ATOM 1486 O LEU B 39 0.900 -6.304 5.588 1.00 0.00 O ATOM 1487 CB LEU B 39 -0.728 -3.871 3.925 1.00 0.00 C ATOM 1488 CG LEU B 39 -1.657 -3.956 2.704 1.00 0.00 C ATOM 1489 CD1 LEU B 39 -1.658 -2.642 1.937 1.00 0.00 C ATOM 1490 CD2 LEU B 39 -1.246 -5.105 1.790 1.00 0.00 C ATOM 0 H LEU B 39 -2.334 -3.518 5.767 1.00 0.00 H new ATOM 0 HA LEU B 39 -1.324 -5.845 4.529 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -0.831 -2.882 4.373 1.00 0.00 H new ATOM 0 HB3 LEU B 39 0.304 -3.961 3.585 1.00 0.00 H new ATOM 0 HG LEU B 39 -2.669 -4.147 3.062 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -2.322 -2.724 1.076 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -2.006 -1.840 2.589 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -0.647 -2.419 1.595 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -1.918 -5.146 0.932 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -0.225 -4.947 1.444 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -1.302 -6.045 2.339 1.00 0.00 H new ATOM 1502 N ARG B 40 0.742 -4.306 6.606 1.00 0.00 N ATOM 1503 CA ARG B 40 1.964 -4.489 7.385 1.00 0.00 C ATOM 1504 C ARG B 40 1.811 -5.650 8.368 1.00 0.00 C ATOM 1505 O ARG B 40 2.728 -6.452 8.542 1.00 0.00 O ATOM 1506 CB ARG B 40 2.332 -3.196 8.137 1.00 0.00 C ATOM 1507 CG ARG B 40 3.657 -2.588 7.697 1.00 0.00 C ATOM 1508 CD ARG B 40 4.061 -1.412 8.578 1.00 0.00 C ATOM 1509 NE ARG B 40 4.740 -1.851 9.793 1.00 0.00 N ATOM 1510 CZ ARG B 40 5.304 -1.022 10.669 1.00 0.00 C ATOM 1511 NH1 ARG B 40 5.266 0.290 10.471 1.00 0.00 N ATOM 1512 NH2 ARG B 40 5.906 -1.506 11.747 1.00 0.00 N ATOM 0 H ARG B 40 0.267 -3.418 6.767 1.00 0.00 H new ATOM 0 HA ARG B 40 2.772 -4.727 6.693 1.00 0.00 H new ATOM 0 HB2 ARG B 40 1.539 -2.463 7.990 1.00 0.00 H new ATOM 0 HB3 ARG B 40 2.376 -3.408 9.205 1.00 0.00 H new ATOM 0 HG2 ARG B 40 4.435 -3.350 7.729 1.00 0.00 H new ATOM 0 HG3 ARG B 40 3.579 -2.256 6.662 1.00 0.00 H new ATOM 0 HD2 ARG B 40 4.716 -0.746 8.016 1.00 0.00 H new ATOM 0 HD3 ARG B 40 3.174 -0.837 8.845 1.00 0.00 H new ATOM 0 HE ARG B 40 4.785 -2.852 9.982 1.00 0.00 H new ATOM 0 HH11 ARG B 40 4.803 0.668 9.644 1.00 0.00 H new ATOM 0 HH12 ARG B 40 5.700 0.920 11.145 1.00 0.00 H new ATOM 0 HH21 ARG B 40 5.937 -2.513 11.905 1.00 0.00 H new ATOM 0 HH22 ARG B 40 6.338 -0.871 12.418 1.00 0.00 H new ATOM 1754 N GLU C 591 -13.830 -3.993 -14.318 1.00 0.00 N ATOM 1755 CA GLU C 591 -13.223 -3.112 -15.316 1.00 0.00 C ATOM 1756 C GLU C 591 -13.433 -1.629 -15.006 1.00 0.00 C ATOM 1757 O GLU C 591 -12.525 -0.820 -15.198 1.00 0.00 O ATOM 1758 CB GLU C 591 -13.781 -3.428 -16.705 1.00 0.00 C ATOM 1759 CG GLU C 591 -15.251 -3.072 -16.871 1.00 0.00 C ATOM 1760 CD GLU C 591 -15.859 -3.670 -18.125 1.00 0.00 C ATOM 1761 OE1 GLU C 591 -15.530 -3.191 -19.231 1.00 0.00 O ATOM 1762 OE2 GLU C 591 -16.663 -4.617 -18.002 1.00 0.00 O ATOM 0 HA GLU C 591 -12.150 -3.300 -15.289 1.00 0.00 H new ATOM 0 HB2 GLU C 591 -13.199 -2.888 -17.452 1.00 0.00 H new ATOM 0 HB3 GLU C 591 -13.649 -4.491 -16.906 1.00 0.00 H new ATOM 0 HG2 GLU C 591 -15.806 -3.422 -16.000 1.00 0.00 H new ATOM 0 HG3 GLU C 591 -15.357 -1.988 -16.902 1.00 0.00 H new ATOM 1769 N GLU C 592 -14.631 -1.263 -14.560 1.00 0.00 N ATOM 1770 CA GLU C 592 -14.948 0.137 -14.270 1.00 0.00 C ATOM 1771 C GLU C 592 -14.284 0.642 -12.988 1.00 0.00 C ATOM 1772 O GLU C 592 -13.974 1.826 -12.868 1.00 0.00 O ATOM 1773 CB GLU C 592 -16.464 0.320 -14.171 1.00 0.00 C ATOM 1774 CG GLU C 592 -17.182 0.146 -15.498 1.00 0.00 C ATOM 1775 CD GLU C 592 -18.663 0.461 -15.406 1.00 0.00 C ATOM 1776 OE1 GLU C 592 -19.019 1.658 -15.444 1.00 0.00 O ATOM 1777 OE2 GLU C 592 -19.466 -0.490 -15.296 1.00 0.00 O ATOM 0 H GLU C 592 -15.399 -1.913 -14.391 1.00 0.00 H new ATOM 0 HA GLU C 592 -14.550 0.729 -15.094 1.00 0.00 H new ATOM 0 HB2 GLU C 592 -16.863 -0.398 -13.454 1.00 0.00 H new ATOM 0 HB3 GLU C 592 -16.677 1.314 -13.779 1.00 0.00 H new ATOM 0 HG2 GLU C 592 -16.722 0.795 -16.243 1.00 0.00 H new ATOM 0 HG3 GLU C 592 -17.053 -0.879 -15.845 1.00 0.00 H new ATOM 1784 N ILE C 593 -14.082 -0.255 -12.029 1.00 0.00 N ATOM 1785 CA ILE C 593 -13.471 0.113 -10.752 1.00 0.00 C ATOM 1786 C ILE C 593 -11.969 0.338 -10.884 1.00 0.00 C ATOM 1787 O ILE C 593 -11.389 1.114 -10.126 1.00 0.00 O ATOM 1788 CB ILE C 593 -13.736 -0.960 -9.672 1.00 0.00 C ATOM 1789 CG1 ILE C 593 -15.205 -0.913 -9.228 1.00 0.00 C ATOM 1790 CG2 ILE C 593 -12.800 -0.788 -8.475 1.00 0.00 C ATOM 1791 CD1 ILE C 593 -15.573 0.318 -8.419 1.00 0.00 C ATOM 0 H ILE C 593 -14.331 -1.241 -12.109 1.00 0.00 H new ATOM 0 HA ILE C 593 -13.936 1.050 -10.446 1.00 0.00 H new ATOM 0 HB ILE C 593 -13.534 -1.938 -10.108 1.00 0.00 H new ATOM 0 HG12 ILE C 593 -15.841 -0.956 -10.112 1.00 0.00 H new ATOM 0 HG13 ILE C 593 -15.422 -1.802 -8.635 1.00 0.00 H new ATOM 0 HG21 ILE C 593 -13.012 -1.558 -7.734 1.00 0.00 H new ATOM 0 HG22 ILE C 593 -11.765 -0.878 -8.806 1.00 0.00 H new ATOM 0 HG23 ILE C 593 -12.954 0.195 -8.031 1.00 0.00 H new ATOM 0 HD11 ILE C 593 -16.627 0.272 -8.146 1.00 0.00 H new ATOM 0 HD12 ILE C 593 -14.965 0.354 -7.515 1.00 0.00 H new ATOM 0 HD13 ILE C 593 -15.391 1.213 -9.015 1.00 0.00 H new ATOM 1803 N TRP C 594 -11.334 -0.328 -11.845 1.00 0.00 N ATOM 1804 CA TRP C 594 -9.901 -0.166 -12.045 1.00 0.00 C ATOM 1805 C TRP C 594 -9.596 1.110 -12.809 1.00 0.00 C ATOM 1806 O TRP C 594 -8.686 1.856 -12.448 1.00 0.00 O ATOM 1807 CB TRP C 594 -9.303 -1.361 -12.786 1.00 0.00 C ATOM 1808 CG TRP C 594 -7.816 -1.257 -12.920 1.00 0.00 C ATOM 1809 CD1 TRP C 594 -7.122 -0.714 -13.962 1.00 0.00 C ATOM 1810 CD2 TRP C 594 -6.840 -1.689 -11.968 1.00 0.00 C ATOM 1811 NE1 TRP C 594 -5.772 -0.781 -13.716 1.00 0.00 N ATOM 1812 CE2 TRP C 594 -5.575 -1.380 -12.498 1.00 0.00 C ATOM 1813 CE3 TRP C 594 -6.916 -2.309 -10.720 1.00 0.00 C ATOM 1814 CZ2 TRP C 594 -4.394 -1.671 -11.818 1.00 0.00 C ATOM 1815 CZ3 TRP C 594 -5.744 -2.598 -10.048 1.00 0.00 C ATOM 1816 CH2 TRP C 594 -4.500 -2.279 -10.597 1.00 0.00 C ATOM 0 H TRP C 594 -11.785 -0.977 -12.490 1.00 0.00 H new ATOM 0 HA TRP C 594 -9.446 -0.105 -11.057 1.00 0.00 H new ATOM 0 HB2 TRP C 594 -9.555 -2.279 -12.255 1.00 0.00 H new ATOM 0 HB3 TRP C 594 -9.751 -1.433 -13.777 1.00 0.00 H new ATOM 0 HD1 TRP C 594 -7.569 -0.293 -14.851 1.00 0.00 H new ATOM 0 HE1 TRP C 594 -5.037 -0.441 -14.337 1.00 0.00 H new ATOM 0 HE3 TRP C 594 -7.874 -2.558 -10.287 1.00 0.00 H new ATOM 0 HZ2 TRP C 594 -3.430 -1.426 -12.239 1.00 0.00 H new ATOM 0 HZ3 TRP C 594 -5.791 -3.079 -9.082 1.00 0.00 H new ATOM 0 HH2 TRP C 594 -3.602 -2.517 -10.046 1.00 0.00 H new ATOM 1827 N LYS C 595 -10.366 1.370 -13.854 1.00 0.00 N ATOM 1828 CA LYS C 595 -10.170 2.574 -14.641 1.00 0.00 C ATOM 1829 C LYS C 595 -10.317 3.797 -13.744 1.00 0.00 C ATOM 1830 O LYS C 595 -9.525 4.736 -13.826 1.00 0.00 O ATOM 1831 CB LYS C 595 -11.175 2.632 -15.803 1.00 0.00 C ATOM 1832 CG LYS C 595 -10.635 2.059 -17.108 1.00 0.00 C ATOM 1833 CD LYS C 595 -11.744 1.827 -18.139 1.00 0.00 C ATOM 1834 CE LYS C 595 -11.996 0.345 -18.379 1.00 0.00 C ATOM 1835 NZ LYS C 595 -12.975 0.117 -19.478 1.00 0.00 N ATOM 0 H LYS C 595 -11.125 0.769 -14.174 1.00 0.00 H new ATOM 0 HA LYS C 595 -9.166 2.562 -15.066 1.00 0.00 H new ATOM 0 HB2 LYS C 595 -12.075 2.085 -15.521 1.00 0.00 H new ATOM 0 HB3 LYS C 595 -11.470 3.669 -15.966 1.00 0.00 H new ATOM 0 HG2 LYS C 595 -9.892 2.741 -17.523 1.00 0.00 H new ATOM 0 HG3 LYS C 595 -10.126 1.117 -16.906 1.00 0.00 H new ATOM 0 HD2 LYS C 595 -12.664 2.300 -17.795 1.00 0.00 H new ATOM 0 HD3 LYS C 595 -11.471 2.306 -19.079 1.00 0.00 H new ATOM 0 HE2 LYS C 595 -11.055 -0.148 -18.623 1.00 0.00 H new ATOM 0 HE3 LYS C 595 -12.367 -0.113 -17.462 1.00 0.00 H new ATOM 0 HZ1 LYS C 595 -13.118 -0.905 -19.609 1.00 0.00 H new ATOM 0 HZ2 LYS C 595 -13.881 0.565 -19.234 1.00 0.00 H new ATOM 0 HZ3 LYS C 595 -12.610 0.531 -20.359 1.00 0.00 H new ATOM 1849 N LYS C 596 -11.349 3.792 -12.906 1.00 0.00 N ATOM 1850 CA LYS C 596 -11.619 4.916 -12.013 1.00 0.00 C ATOM 1851 C LYS C 596 -10.502 5.131 -10.989 1.00 0.00 C ATOM 1852 O LYS C 596 -9.861 6.182 -10.987 1.00 0.00 O ATOM 1853 CB LYS C 596 -12.967 4.699 -11.290 1.00 0.00 C ATOM 1854 CG LYS C 596 -13.958 5.847 -11.449 1.00 0.00 C ATOM 1855 CD LYS C 596 -14.516 5.930 -12.865 1.00 0.00 C ATOM 1856 CE LYS C 596 -15.121 7.297 -13.148 1.00 0.00 C ATOM 1857 NZ LYS C 596 -15.533 7.439 -14.573 1.00 0.00 N ATOM 0 H LYS C 596 -12.013 3.022 -12.826 1.00 0.00 H new ATOM 0 HA LYS C 596 -11.668 5.815 -12.627 1.00 0.00 H new ATOM 0 HB2 LYS C 596 -13.425 3.785 -11.667 1.00 0.00 H new ATOM 0 HB3 LYS C 596 -12.775 4.545 -10.228 1.00 0.00 H new ATOM 0 HG2 LYS C 596 -14.779 5.717 -10.743 1.00 0.00 H new ATOM 0 HG3 LYS C 596 -13.467 6.787 -11.198 1.00 0.00 H new ATOM 0 HD2 LYS C 596 -13.721 5.727 -13.583 1.00 0.00 H new ATOM 0 HD3 LYS C 596 -15.275 5.160 -13.004 1.00 0.00 H new ATOM 0 HE2 LYS C 596 -15.986 7.452 -12.503 1.00 0.00 H new ATOM 0 HE3 LYS C 596 -14.396 8.073 -12.901 1.00 0.00 H new ATOM 0 HZ1 LYS C 596 -15.940 8.384 -14.724 1.00 0.00 H new ATOM 0 HZ2 LYS C 596 -14.703 7.317 -15.188 1.00 0.00 H new ATOM 0 HZ3 LYS C 596 -16.244 6.715 -14.803 1.00 0.00 H new ATOM 1871 N ALA C 597 -10.275 4.157 -10.101 1.00 0.00 N ATOM 1872 CA ALA C 597 -9.247 4.283 -9.071 1.00 0.00 C ATOM 1873 C ALA C 597 -7.908 4.747 -9.643 1.00 0.00 C ATOM 1874 O ALA C 597 -7.155 5.462 -8.980 1.00 0.00 O ATOM 1875 CB ALA C 597 -9.075 2.952 -8.355 1.00 0.00 C ATOM 0 H ALA C 597 -10.789 3.277 -10.077 1.00 0.00 H new ATOM 0 HA ALA C 597 -9.578 5.045 -8.366 1.00 0.00 H new ATOM 0 HB1 ALA C 597 -8.308 3.048 -7.587 1.00 0.00 H new ATOM 0 HB2 ALA C 597 -10.018 2.664 -7.891 1.00 0.00 H new ATOM 0 HB3 ALA C 597 -8.776 2.189 -9.073 1.00 0.00 H new ATOM 1881 N GLU C 598 -7.611 4.333 -10.873 1.00 0.00 N ATOM 1882 CA GLU C 598 -6.358 4.705 -11.524 1.00 0.00 C ATOM 1883 C GLU C 598 -6.306 6.215 -11.774 1.00 0.00 C ATOM 1884 O GLU C 598 -5.239 6.824 -11.699 1.00 0.00 O ATOM 1885 CB GLU C 598 -6.188 3.931 -12.842 1.00 0.00 C ATOM 1886 CG GLU C 598 -5.476 2.595 -12.680 1.00 0.00 C ATOM 1887 CD GLU C 598 -5.100 1.972 -14.010 1.00 0.00 C ATOM 1888 OE1 GLU C 598 -5.787 2.258 -15.014 1.00 0.00 O ATOM 1889 OE2 GLU C 598 -4.120 1.200 -14.047 1.00 0.00 O ATOM 0 H GLU C 598 -8.220 3.741 -11.438 1.00 0.00 H new ATOM 0 HA GLU C 598 -5.534 4.442 -10.861 1.00 0.00 H new ATOM 0 HB2 GLU C 598 -7.171 3.758 -13.281 1.00 0.00 H new ATOM 0 HB3 GLU C 598 -5.629 4.548 -13.546 1.00 0.00 H new ATOM 0 HG2 GLU C 598 -4.576 2.737 -12.082 1.00 0.00 H new ATOM 0 HG3 GLU C 598 -6.120 1.908 -12.130 1.00 0.00 H new ATOM 1896 N GLU C 599 -7.457 6.813 -12.059 1.00 0.00 N ATOM 1897 CA GLU C 599 -7.524 8.252 -12.305 1.00 0.00 C ATOM 1898 C GLU C 599 -7.218 9.020 -11.022 1.00 0.00 C ATOM 1899 O GLU C 599 -6.450 9.982 -11.034 1.00 0.00 O ATOM 1900 CB GLU C 599 -8.902 8.644 -12.842 1.00 0.00 C ATOM 1901 CG GLU C 599 -9.168 8.145 -14.253 1.00 0.00 C ATOM 1902 CD GLU C 599 -10.444 8.714 -14.842 1.00 0.00 C ATOM 1903 OE1 GLU C 599 -10.488 9.936 -15.096 1.00 0.00 O ATOM 1904 OE2 GLU C 599 -11.400 7.937 -15.048 1.00 0.00 O ATOM 0 H GLU C 599 -8.352 6.329 -12.126 1.00 0.00 H new ATOM 0 HA GLU C 599 -6.777 8.509 -13.056 1.00 0.00 H new ATOM 0 HB2 GLU C 599 -9.669 8.249 -12.175 1.00 0.00 H new ATOM 0 HB3 GLU C 599 -8.994 9.730 -12.826 1.00 0.00 H new ATOM 0 HG2 GLU C 599 -8.327 8.411 -14.893 1.00 0.00 H new ATOM 0 HG3 GLU C 599 -9.230 7.057 -14.244 1.00 0.00 H new ATOM 1911 N ALA C 600 -7.826 8.597 -9.920 1.00 0.00 N ATOM 1912 CA ALA C 600 -7.620 9.253 -8.632 1.00 0.00 C ATOM 1913 C ALA C 600 -6.139 9.359 -8.281 1.00 0.00 C ATOM 1914 O ALA C 600 -5.716 10.316 -7.633 1.00 0.00 O ATOM 1915 CB ALA C 600 -8.371 8.503 -7.540 1.00 0.00 C ATOM 0 H ALA C 600 -8.466 7.803 -9.891 1.00 0.00 H new ATOM 0 HA ALA C 600 -8.011 10.268 -8.708 1.00 0.00 H new ATOM 0 HB1 ALA C 600 -8.212 8.999 -6.583 1.00 0.00 H new ATOM 0 HB2 ALA C 600 -9.436 8.494 -7.771 1.00 0.00 H new ATOM 0 HB3 ALA C 600 -8.003 7.478 -7.483 1.00 0.00 H new ATOM 1921 N VAL C 601 -5.358 8.366 -8.691 1.00 0.00 N ATOM 1922 CA VAL C 601 -3.928 8.356 -8.389 1.00 0.00 C ATOM 1923 C VAL C 601 -3.120 9.189 -9.375 1.00 0.00 C ATOM 1924 O VAL C 601 -2.210 9.907 -8.979 1.00 0.00 O ATOM 1925 CB VAL C 601 -3.364 6.924 -8.341 1.00 0.00 C ATOM 1926 CG1 VAL C 601 -1.873 6.942 -8.032 1.00 0.00 C ATOM 1927 CG2 VAL C 601 -4.120 6.112 -7.306 1.00 0.00 C ATOM 0 H VAL C 601 -5.685 7.563 -9.229 1.00 0.00 H new ATOM 0 HA VAL C 601 -3.830 8.807 -7.402 1.00 0.00 H new ATOM 0 HB VAL C 601 -3.495 6.459 -9.318 1.00 0.00 H new ATOM 0 HG11 VAL C 601 -1.495 5.920 -8.003 1.00 0.00 H new ATOM 0 HG12 VAL C 601 -1.348 7.501 -8.806 1.00 0.00 H new ATOM 0 HG13 VAL C 601 -1.707 7.418 -7.065 1.00 0.00 H new ATOM 0 HG21 VAL C 601 -3.719 5.099 -7.274 1.00 0.00 H new ATOM 0 HG22 VAL C 601 -4.009 6.577 -6.327 1.00 0.00 H new ATOM 0 HG23 VAL C 601 -5.176 6.076 -7.573 1.00 0.00 H new ATOM 1937 N ASN C 602 -3.458 9.100 -10.653 1.00 0.00 N ATOM 1938 CA ASN C 602 -2.750 9.864 -11.675 1.00 0.00 C ATOM 1939 C ASN C 602 -2.973 11.359 -11.463 1.00 0.00 C ATOM 1940 O ASN C 602 -2.067 12.168 -11.663 1.00 0.00 O ATOM 1941 CB ASN C 602 -3.220 9.447 -13.073 1.00 0.00 C ATOM 1942 CG ASN C 602 -2.578 8.154 -13.541 1.00 0.00 C ATOM 1943 OD1 ASN C 602 -1.767 8.152 -14.467 1.00 0.00 O ATOM 1944 ND2 ASN C 602 -2.940 7.047 -12.904 1.00 0.00 N ATOM 0 H ASN C 602 -4.212 8.512 -11.007 1.00 0.00 H new ATOM 0 HA ASN C 602 -1.683 9.655 -11.592 1.00 0.00 H new ATOM 0 HB2 ASN C 602 -4.304 9.330 -13.068 1.00 0.00 H new ATOM 0 HB3 ASN C 602 -2.988 10.241 -13.783 1.00 0.00 H new ATOM 0 HD21 ASN C 602 -2.542 6.148 -13.177 1.00 0.00 H new ATOM 0 HD22 ASN C 602 -3.616 7.095 -12.142 1.00 0.00 H new ATOM 1951 N GLU C 603 -4.182 11.715 -11.056 1.00 0.00 N ATOM 1952 CA GLU C 603 -4.529 13.111 -10.813 1.00 0.00 C ATOM 1953 C GLU C 603 -3.761 13.673 -9.620 1.00 0.00 C ATOM 1954 O GLU C 603 -3.077 14.689 -9.748 1.00 0.00 O ATOM 1955 CB GLU C 603 -6.036 13.241 -10.577 1.00 0.00 C ATOM 1956 CG GLU C 603 -6.531 14.679 -10.570 1.00 0.00 C ATOM 1957 CD GLU C 603 -6.551 15.300 -11.954 1.00 0.00 C ATOM 1958 OE1 GLU C 603 -6.120 14.627 -12.914 1.00 0.00 O ATOM 1959 OE2 GLU C 603 -6.996 16.461 -12.077 1.00 0.00 O ATOM 0 H GLU C 603 -4.942 11.056 -10.886 1.00 0.00 H new ATOM 0 HA GLU C 603 -4.250 13.688 -11.695 1.00 0.00 H new ATOM 0 HB2 GLU C 603 -6.565 12.687 -11.352 1.00 0.00 H new ATOM 0 HB3 GLU C 603 -6.287 12.775 -9.624 1.00 0.00 H new ATOM 0 HG2 GLU C 603 -7.535 14.711 -10.148 1.00 0.00 H new ATOM 0 HG3 GLU C 603 -5.892 15.275 -9.918 1.00 0.00 H new ATOM 1966 N VAL C 604 -3.872 13.031 -8.460 1.00 0.00 N ATOM 1967 CA VAL C 604 -3.178 13.507 -7.269 1.00 0.00 C ATOM 1968 C VAL C 604 -1.660 13.495 -7.445 1.00 0.00 C ATOM 1969 O VAL C 604 -0.945 14.268 -6.807 1.00 0.00 O ATOM 1970 CB VAL C 604 -3.553 12.707 -6.012 1.00 0.00 C ATOM 1971 CG1 VAL C 604 -3.055 11.273 -6.104 1.00 0.00 C ATOM 1972 CG2 VAL C 604 -3.002 13.400 -4.779 1.00 0.00 C ATOM 0 H VAL C 604 -4.430 12.189 -8.321 1.00 0.00 H new ATOM 0 HA VAL C 604 -3.507 14.537 -7.132 1.00 0.00 H new ATOM 0 HB VAL C 604 -4.640 12.667 -5.935 1.00 0.00 H new ATOM 0 HG11 VAL C 604 -3.335 10.732 -5.200 1.00 0.00 H new ATOM 0 HG12 VAL C 604 -3.502 10.787 -6.971 1.00 0.00 H new ATOM 0 HG13 VAL C 604 -1.970 11.271 -6.206 1.00 0.00 H new ATOM 0 HG21 VAL C 604 -3.270 12.829 -3.890 1.00 0.00 H new ATOM 0 HG22 VAL C 604 -1.917 13.466 -4.853 1.00 0.00 H new ATOM 0 HG23 VAL C 604 -3.423 14.403 -4.707 1.00 0.00 H new ATOM 1982 N LYS C 605 -1.177 12.612 -8.319 1.00 0.00 N ATOM 1983 CA LYS C 605 0.253 12.489 -8.592 1.00 0.00 C ATOM 1984 C LYS C 605 0.749 13.690 -9.383 1.00 0.00 C ATOM 1985 O LYS C 605 1.713 14.351 -8.997 1.00 0.00 O ATOM 1986 CB LYS C 605 0.524 11.200 -9.380 1.00 0.00 C ATOM 1987 CG LYS C 605 1.820 10.503 -9.007 1.00 0.00 C ATOM 1988 CD LYS C 605 1.846 9.059 -9.501 1.00 0.00 C ATOM 1989 CE LYS C 605 1.159 8.119 -8.522 1.00 0.00 C ATOM 1990 NZ LYS C 605 1.995 7.845 -7.323 1.00 0.00 N ATOM 0 H LYS C 605 -1.761 11.968 -8.853 1.00 0.00 H new ATOM 0 HA LYS C 605 0.787 12.451 -7.643 1.00 0.00 H new ATOM 0 HB2 LYS C 605 -0.305 10.510 -9.222 1.00 0.00 H new ATOM 0 HB3 LYS C 605 0.544 11.436 -10.444 1.00 0.00 H new ATOM 0 HG2 LYS C 605 2.662 11.049 -9.433 1.00 0.00 H new ATOM 0 HG3 LYS C 605 1.944 10.520 -7.924 1.00 0.00 H new ATOM 0 HD2 LYS C 605 1.354 8.997 -10.472 1.00 0.00 H new ATOM 0 HD3 LYS C 605 2.879 8.742 -9.646 1.00 0.00 H new ATOM 0 HE2 LYS C 605 0.210 8.554 -8.209 1.00 0.00 H new ATOM 0 HE3 LYS C 605 0.929 7.179 -9.024 1.00 0.00 H new ATOM 0 HZ1 LYS C 605 2.243 6.835 -7.296 1.00 0.00 H new ATOM 0 HZ2 LYS C 605 2.864 8.414 -7.369 1.00 0.00 H new ATOM 0 HZ3 LYS C 605 1.463 8.094 -6.465 1.00 0.00 H new ATOM 2004 N ARG C 606 0.065 13.979 -10.479 1.00 0.00 N ATOM 2005 CA ARG C 606 0.417 15.119 -11.310 1.00 0.00 C ATOM 2006 C ARG C 606 0.307 16.403 -10.491 1.00 0.00 C ATOM 2007 O ARG C 606 0.984 17.392 -10.770 1.00 0.00 O ATOM 2008 CB ARG C 606 -0.500 15.183 -12.541 1.00 0.00 C ATOM 2009 CG ARG C 606 0.132 15.867 -13.747 1.00 0.00 C ATOM 2010 CD ARG C 606 0.311 17.367 -13.531 1.00 0.00 C ATOM 2011 NE ARG C 606 0.168 18.116 -14.779 1.00 0.00 N ATOM 2012 CZ ARG C 606 0.117 19.444 -14.847 1.00 0.00 C ATOM 2013 NH1 ARG C 606 0.208 20.176 -13.743 1.00 0.00 N ATOM 2014 NH2 ARG C 606 -0.022 20.043 -16.022 1.00 0.00 N ATOM 0 H ARG C 606 -0.735 13.441 -10.813 1.00 0.00 H new ATOM 0 HA ARG C 606 1.445 15.008 -11.656 1.00 0.00 H new ATOM 0 HB2 ARG C 606 -0.788 14.170 -12.820 1.00 0.00 H new ATOM 0 HB3 ARG C 606 -1.415 15.712 -12.273 1.00 0.00 H new ATOM 0 HG2 ARG C 606 1.101 15.413 -13.953 1.00 0.00 H new ATOM 0 HG3 ARG C 606 -0.492 15.700 -14.625 1.00 0.00 H new ATOM 0 HD2 ARG C 606 -0.425 17.721 -12.809 1.00 0.00 H new ATOM 0 HD3 ARG C 606 1.295 17.558 -13.103 1.00 0.00 H new ATOM 0 HE ARG C 606 0.103 17.589 -15.650 1.00 0.00 H new ATOM 0 HH11 ARG C 606 0.318 19.721 -12.837 1.00 0.00 H new ATOM 0 HH12 ARG C 606 0.168 21.194 -13.801 1.00 0.00 H new ATOM 0 HH21 ARG C 606 -0.090 19.486 -16.874 1.00 0.00 H new ATOM 0 HH22 ARG C 606 -0.061 21.061 -16.074 1.00 0.00 H new ATOM 2028 N GLN C 607 -0.558 16.378 -9.476 1.00 0.00 N ATOM 2029 CA GLN C 607 -0.764 17.538 -8.612 1.00 0.00 C ATOM 2030 C GLN C 607 0.344 17.681 -7.556 1.00 0.00 C ATOM 2031 O GLN C 607 0.981 18.728 -7.468 1.00 0.00 O ATOM 2032 CB GLN C 607 -2.137 17.450 -7.931 1.00 0.00 C ATOM 2033 CG GLN C 607 -3.268 18.057 -8.753 1.00 0.00 C ATOM 2034 CD GLN C 607 -4.647 17.626 -8.279 1.00 0.00 C ATOM 2035 OE1 GLN C 607 -5.559 17.445 -9.086 1.00 0.00 O ATOM 2036 NE2 GLN C 607 -4.811 17.468 -6.970 1.00 0.00 N ATOM 0 H GLN C 607 -1.126 15.567 -9.233 1.00 0.00 H new ATOM 0 HA GLN C 607 -0.726 18.426 -9.243 1.00 0.00 H new ATOM 0 HB2 GLN C 607 -2.367 16.404 -7.730 1.00 0.00 H new ATOM 0 HB3 GLN C 607 -2.088 17.956 -6.967 1.00 0.00 H new ATOM 0 HG2 GLN C 607 -3.198 19.144 -8.709 1.00 0.00 H new ATOM 0 HG3 GLN C 607 -3.144 17.772 -9.798 1.00 0.00 H new ATOM 0 HE21 GLN C 607 -4.029 17.628 -6.335 1.00 0.00 H new ATOM 0 HE22 GLN C 607 -5.719 17.187 -6.600 1.00 0.00 H new ATOM 2045 N ALA C 608 0.581 16.640 -6.747 1.00 0.00 N ATOM 2046 CA ALA C 608 1.614 16.689 -5.709 1.00 0.00 C ATOM 2047 C ALA C 608 2.937 17.226 -6.245 1.00 0.00 C ATOM 2048 O ALA C 608 3.670 17.921 -5.540 1.00 0.00 O ATOM 2049 CB ALA C 608 1.809 15.301 -5.125 1.00 0.00 C ATOM 0 H ALA C 608 0.072 15.757 -6.792 1.00 0.00 H new ATOM 0 HA ALA C 608 1.279 17.375 -4.931 1.00 0.00 H new ATOM 0 HB1 ALA C 608 2.577 15.336 -4.353 1.00 0.00 H new ATOM 0 HB2 ALA C 608 0.872 14.955 -4.689 1.00 0.00 H new ATOM 0 HB3 ALA C 608 2.118 14.615 -5.913 1.00 0.00 H new ATOM 2055 N MET C 609 3.236 16.903 -7.493 1.00 0.00 N ATOM 2056 CA MET C 609 4.476 17.361 -8.112 1.00 0.00 C ATOM 2057 C MET C 609 4.475 18.885 -8.269 1.00 0.00 C ATOM 2058 O MET C 609 5.521 19.523 -8.144 1.00 0.00 O ATOM 2059 CB MET C 609 4.708 16.667 -9.465 1.00 0.00 C ATOM 2060 CG MET C 609 4.196 17.447 -10.670 1.00 0.00 C ATOM 2061 SD MET C 609 4.016 16.423 -12.145 1.00 0.00 S ATOM 2062 CE MET C 609 5.718 16.317 -12.696 1.00 0.00 C ATOM 0 H MET C 609 2.645 16.330 -8.096 1.00 0.00 H new ATOM 0 HA MET C 609 5.301 17.090 -7.454 1.00 0.00 H new ATOM 0 HB2 MET C 609 5.776 16.490 -9.590 1.00 0.00 H new ATOM 0 HB3 MET C 609 4.223 15.691 -9.447 1.00 0.00 H new ATOM 0 HG2 MET C 609 3.233 17.894 -10.424 1.00 0.00 H new ATOM 0 HG3 MET C 609 4.882 18.266 -10.884 1.00 0.00 H new ATOM 0 HE1 MET C 609 5.770 15.713 -13.602 1.00 0.00 H new ATOM 0 HE2 MET C 609 6.096 17.318 -12.904 1.00 0.00 H new ATOM 0 HE3 MET C 609 6.325 15.855 -11.917 1.00 0.00 H new ATOM 2072 N THR C 610 3.305 19.471 -8.518 1.00 0.00 N ATOM 2073 CA THR C 610 3.203 20.924 -8.661 1.00 0.00 C ATOM 2074 C THR C 610 3.439 21.586 -7.305 1.00 0.00 C ATOM 2075 O THR C 610 4.111 22.612 -7.211 1.00 0.00 O ATOM 2076 CB THR C 610 1.832 21.328 -9.233 1.00 0.00 C ATOM 2077 OG1 THR C 610 0.938 20.233 -9.217 1.00 0.00 O ATOM 2078 CG2 THR C 610 1.898 21.836 -10.659 1.00 0.00 C ATOM 0 H THR C 610 2.423 18.970 -8.624 1.00 0.00 H new ATOM 0 HA THR C 610 3.965 21.263 -9.363 1.00 0.00 H new ATOM 0 HB THR C 610 1.484 22.136 -8.590 1.00 0.00 H new ATOM 0 HG1 THR C 610 0.919 19.840 -8.320 1.00 0.00 H new ATOM 0 HG21 THR C 610 0.897 22.102 -10.997 1.00 0.00 H new ATOM 0 HG22 THR C 610 2.541 22.715 -10.703 1.00 0.00 H new ATOM 0 HG23 THR C 610 2.304 21.057 -11.304 1.00 0.00 H new ATOM 2086 N GLU C 611 2.900 20.977 -6.255 1.00 0.00 N ATOM 2087 CA GLU C 611 3.075 21.500 -4.902 1.00 0.00 C ATOM 2088 C GLU C 611 4.565 21.609 -4.571 1.00 0.00 C ATOM 2089 O GLU C 611 4.982 22.431 -3.756 1.00 0.00 O ATOM 2090 CB GLU C 611 2.367 20.595 -3.890 1.00 0.00 C ATOM 2091 CG GLU C 611 0.855 20.751 -3.891 1.00 0.00 C ATOM 2092 CD GLU C 611 0.407 22.080 -3.317 1.00 0.00 C ATOM 2093 OE1 GLU C 611 0.432 23.086 -4.059 1.00 0.00 O ATOM 2094 OE2 GLU C 611 0.030 22.118 -2.127 1.00 0.00 O ATOM 0 H GLU C 611 2.341 20.126 -6.312 1.00 0.00 H new ATOM 0 HA GLU C 611 2.632 22.494 -4.847 1.00 0.00 H new ATOM 0 HB2 GLU C 611 2.617 19.556 -4.106 1.00 0.00 H new ATOM 0 HB3 GLU C 611 2.746 20.813 -2.892 1.00 0.00 H new ATOM 0 HG2 GLU C 611 0.484 20.656 -4.912 1.00 0.00 H new ATOM 0 HG3 GLU C 611 0.409 19.941 -3.314 1.00 0.00 H new ATOM 2101 N LEU C 612 5.353 20.763 -5.231 1.00 0.00 N ATOM 2102 CA LEU C 612 6.802 20.732 -5.045 1.00 0.00 C ATOM 2103 C LEU C 612 7.491 21.690 -6.012 1.00 0.00 C ATOM 2104 O LEU C 612 8.475 22.341 -5.664 1.00 0.00 O ATOM 2105 CB LEU C 612 7.337 19.304 -5.233 1.00 0.00 C ATOM 2106 CG LEU C 612 7.442 18.465 -3.938 1.00 0.00 C ATOM 2107 CD1 LEU C 612 6.576 17.216 -4.024 1.00 0.00 C ATOM 2108 CD2 LEU C 612 8.892 18.088 -3.653 1.00 0.00 C ATOM 0 H LEU C 612 5.007 20.082 -5.907 1.00 0.00 H new ATOM 0 HA LEU C 612 7.023 21.055 -4.028 1.00 0.00 H new ATOM 0 HB2 LEU C 612 6.689 18.780 -5.935 1.00 0.00 H new ATOM 0 HB3 LEU C 612 8.324 19.360 -5.692 1.00 0.00 H new ATOM 0 HG LEU C 612 7.076 19.077 -3.114 1.00 0.00 H new ATOM 0 HD11 LEU C 612 6.669 16.645 -3.100 1.00 0.00 H new ATOM 0 HD12 LEU C 612 5.535 17.504 -4.169 1.00 0.00 H new ATOM 0 HD13 LEU C 612 6.903 16.603 -4.864 1.00 0.00 H new ATOM 0 HD21 LEU C 612 8.941 17.498 -2.738 1.00 0.00 H new ATOM 0 HD22 LEU C 612 9.286 17.502 -4.484 1.00 0.00 H new ATOM 0 HD23 LEU C 612 9.487 18.994 -3.534 1.00 0.00 H new ATOM 2120 N GLN C 613 6.963 21.769 -7.229 1.00 0.00 N ATOM 2121 CA GLN C 613 7.523 22.645 -8.252 1.00 0.00 C ATOM 2122 C GLN C 613 7.322 24.118 -7.888 1.00 0.00 C ATOM 2123 O GLN C 613 7.910 25.003 -8.509 1.00 0.00 O ATOM 2124 CB GLN C 613 6.885 22.342 -9.616 1.00 0.00 C ATOM 2125 CG GLN C 613 7.831 22.544 -10.790 1.00 0.00 C ATOM 2126 CD GLN C 613 8.872 21.447 -10.897 1.00 0.00 C ATOM 2127 OE1 GLN C 613 9.990 21.585 -10.400 1.00 0.00 O ATOM 2128 NE2 GLN C 613 8.508 20.346 -11.546 1.00 0.00 N ATOM 0 H GLN C 613 6.147 21.236 -7.531 1.00 0.00 H new ATOM 0 HA GLN C 613 8.595 22.455 -8.311 1.00 0.00 H new ATOM 0 HB2 GLN C 613 6.529 21.312 -9.620 1.00 0.00 H new ATOM 0 HB3 GLN C 613 6.012 22.981 -9.749 1.00 0.00 H new ATOM 0 HG2 GLN C 613 7.254 22.583 -11.714 1.00 0.00 H new ATOM 0 HG3 GLN C 613 8.332 23.506 -10.686 1.00 0.00 H new ATOM 0 HE21 GLN C 613 7.571 20.274 -11.942 1.00 0.00 H new ATOM 0 HE22 GLN C 613 9.166 19.573 -11.648 1.00 0.00 H new