USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=14 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 Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0312 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 TYR OH : rot 147:sc= -0.158 USER MOD Single : A 17 THR OG1 : rot 92:sc= 0.591 USER MOD Single : A 23 GLN : amide:sc= -0.038 X(o=-0.038,f=0) USER MOD Single : A 24 GLN : amide:sc= 1.03 K(o=1,f=-0.0097) USER MOD Single : A 35 TYR OH : rot 180:sc= -1.19 USER MOD Single : A 37 THR OG1 : rot -88:sc= 1.16 USER MOD Single : B 10 THR OG1 : rot 180:sc= 0.0241 USER MOD Single : B 14 GLN : amide:sc= -2.9! C(o=-2.9!,f=-6.3!) USER MOD Single : B 16 TYR OH : rot 180:sc= -0.0303 USER MOD Single : B 17 THR OG1 : rot 99:sc= 1.17 USER MOD Single : B 23 GLN : amide:sc= -0.0118 X(o=-0.012,f=0) USER MOD Single : B 24 GLN : amide:sc= 0.273 K(o=0.27,f=-0.93) USER MOD Single : B 35 TYR OH : rot 180:sc= 0 USER MOD Single : B 37 THR OG1 : rot -93:sc= 0.383 USER MOD Single : C 595 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0058) USER MOD Single : C 596 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 602 ASN : amide:sc= -1.04 K(o=-1,f=-2.4!) USER MOD Single : C 605 LYS NZ :NH3+ 136:sc= -0.957 (180deg=-2.61!) USER MOD Single : C 607 GLN : amide:sc= -2.59 K(o=-2.6,f=-1.6) USER MOD Single : C 609 MET CE :methyl -143:sc= -0.37 (180deg=-2.18!) USER MOD Single : C 610 THR OG1 : rot 180:sc= 0 USER MOD Single : C 613 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 120 N GLN A 4 -18.433 7.631 -8.733 1.00 0.00 N ATOM 121 CA GLN A 4 -17.876 8.965 -8.925 1.00 0.00 C ATOM 122 C GLN A 4 -16.687 9.219 -8.001 1.00 0.00 C ATOM 123 O GLN A 4 -16.803 9.077 -6.784 1.00 0.00 O ATOM 124 CB GLN A 4 -18.954 10.035 -8.705 1.00 0.00 C ATOM 125 CG GLN A 4 -19.725 9.878 -7.402 1.00 0.00 C ATOM 126 CD GLN A 4 -20.460 11.143 -7.001 1.00 0.00 C ATOM 127 OE1 GLN A 4 -21.595 11.375 -7.419 1.00 0.00 O ATOM 128 NE2 GLN A 4 -19.814 11.970 -6.187 1.00 0.00 N ATOM 0 HA GLN A 4 -17.519 9.025 -9.953 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -18.484 11.018 -8.721 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -19.657 10.004 -9.537 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -20.442 9.063 -7.505 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -19.034 9.597 -6.607 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -18.874 11.738 -5.865 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -20.257 12.837 -5.884 1.00 0.00 H new ATOM 137 N ILE A 5 -15.548 9.598 -8.577 1.00 0.00 N ATOM 138 CA ILE A 5 -14.346 9.875 -7.787 1.00 0.00 C ATOM 139 C ILE A 5 -14.699 10.686 -6.528 1.00 0.00 C ATOM 140 O ILE A 5 -14.961 11.886 -6.615 1.00 0.00 O ATOM 141 CB ILE A 5 -13.289 10.648 -8.615 1.00 0.00 C ATOM 142 CG1 ILE A 5 -12.844 9.824 -9.832 1.00 0.00 C ATOM 143 CG2 ILE A 5 -12.086 11.007 -7.750 1.00 0.00 C ATOM 144 CD1 ILE A 5 -12.348 8.436 -9.485 1.00 0.00 C ATOM 0 H ILE A 5 -15.430 9.720 -9.583 1.00 0.00 H new ATOM 0 HA ILE A 5 -13.924 8.914 -7.494 1.00 0.00 H new ATOM 0 HB ILE A 5 -13.746 11.571 -8.972 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -13.681 9.737 -10.525 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -12.052 10.362 -10.353 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -11.355 11.549 -8.350 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -12.410 11.633 -6.919 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -11.632 10.095 -7.362 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -12.052 7.917 -10.397 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -11.490 8.513 -8.817 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.144 7.878 -8.992 1.00 0.00 H new ATOM 156 N PRO A 6 -14.729 10.040 -5.342 1.00 0.00 N ATOM 157 CA PRO A 6 -15.071 10.714 -4.081 1.00 0.00 C ATOM 158 C PRO A 6 -14.332 12.040 -3.884 1.00 0.00 C ATOM 159 O PRO A 6 -13.120 12.050 -3.683 1.00 0.00 O ATOM 160 CB PRO A 6 -14.635 9.699 -3.019 1.00 0.00 C ATOM 161 CG PRO A 6 -14.802 8.380 -3.683 1.00 0.00 C ATOM 162 CD PRO A 6 -14.446 8.601 -5.130 1.00 0.00 C ATOM 0 HA PRO A 6 -16.127 10.983 -4.043 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.602 9.862 -2.713 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -15.249 9.773 -2.122 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.153 7.630 -3.231 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -15.825 8.019 -3.583 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.400 8.365 -5.326 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -15.044 7.973 -5.791 1.00 0.00 H new ATOM 170 N PRO A 7 -15.044 13.186 -3.926 1.00 0.00 N ATOM 171 CA PRO A 7 -14.418 14.497 -3.731 1.00 0.00 C ATOM 172 C PRO A 7 -13.538 14.529 -2.483 1.00 0.00 C ATOM 173 O PRO A 7 -13.832 13.858 -1.494 1.00 0.00 O ATOM 174 CB PRO A 7 -15.616 15.443 -3.574 1.00 0.00 C ATOM 175 CG PRO A 7 -16.715 14.778 -4.327 1.00 0.00 C ATOM 176 CD PRO A 7 -16.501 13.298 -4.151 1.00 0.00 C ATOM 0 HA PRO A 7 -13.757 14.766 -4.555 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -15.879 15.580 -2.525 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -15.398 16.431 -3.979 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -17.689 15.080 -3.943 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -16.688 15.054 -5.381 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -17.069 12.908 -3.307 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -16.815 12.739 -5.032 1.00 0.00 H new ATOM 184 N GLY A 8 -12.461 15.309 -2.527 1.00 0.00 N ATOM 185 CA GLY A 8 -11.567 15.406 -1.382 1.00 0.00 C ATOM 186 C GLY A 8 -10.517 14.306 -1.351 1.00 0.00 C ATOM 187 O GLY A 8 -9.465 14.469 -0.732 1.00 0.00 O ATOM 0 H GLY A 8 -12.191 15.875 -3.332 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -11.069 16.375 -1.398 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.155 15.365 -0.465 1.00 0.00 H new ATOM 191 N LEU A 9 -10.795 13.187 -2.016 1.00 0.00 N ATOM 192 CA LEU A 9 -9.859 12.068 -2.054 1.00 0.00 C ATOM 193 C LEU A 9 -8.507 12.512 -2.596 1.00 0.00 C ATOM 194 O LEU A 9 -7.461 12.116 -2.084 1.00 0.00 O ATOM 195 CB LEU A 9 -10.429 10.931 -2.907 1.00 0.00 C ATOM 196 CG LEU A 9 -9.731 9.572 -2.736 1.00 0.00 C ATOM 197 CD1 LEU A 9 -10.715 8.429 -2.942 1.00 0.00 C ATOM 198 CD2 LEU A 9 -8.558 9.437 -3.698 1.00 0.00 C ATOM 0 H LEU A 9 -11.659 13.032 -2.535 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.715 11.705 -1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.485 10.812 -2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.372 11.221 -3.956 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.348 9.520 -1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.199 7.477 -2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.519 8.505 -2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -11.133 8.485 -3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.081 8.467 -3.557 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.917 9.519 -4.724 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.834 10.229 -3.503 1.00 0.00 H new ATOM 210 N THR A 10 -8.538 13.334 -3.638 1.00 0.00 N ATOM 211 CA THR A 10 -7.315 13.830 -4.255 1.00 0.00 C ATOM 212 C THR A 10 -6.430 14.537 -3.232 1.00 0.00 C ATOM 213 O THR A 10 -5.212 14.373 -3.235 1.00 0.00 O ATOM 214 CB THR A 10 -7.658 14.783 -5.405 1.00 0.00 C ATOM 215 OG1 THR A 10 -8.801 14.325 -6.108 1.00 0.00 O ATOM 216 CG2 THR A 10 -6.537 14.940 -6.410 1.00 0.00 C ATOM 0 H THR A 10 -9.397 13.671 -4.073 1.00 0.00 H new ATOM 0 HA THR A 10 -6.761 12.977 -4.648 1.00 0.00 H new ATOM 0 HB THR A 10 -7.840 15.749 -4.935 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.007 14.946 -6.838 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.847 15.628 -7.197 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.653 15.336 -5.910 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.303 13.970 -6.848 1.00 0.00 H new ATOM 224 N GLU A 11 -7.052 15.325 -2.362 1.00 0.00 N ATOM 225 CA GLU A 11 -6.320 16.063 -1.338 1.00 0.00 C ATOM 226 C GLU A 11 -5.685 15.122 -0.316 1.00 0.00 C ATOM 227 O GLU A 11 -4.618 15.414 0.225 1.00 0.00 O ATOM 228 CB GLU A 11 -7.252 17.048 -0.629 1.00 0.00 C ATOM 229 CG GLU A 11 -6.529 18.021 0.287 1.00 0.00 C ATOM 230 CD GLU A 11 -7.481 18.853 1.122 1.00 0.00 C ATOM 231 OE1 GLU A 11 -8.321 19.565 0.533 1.00 0.00 O ATOM 232 OE2 GLU A 11 -7.388 18.793 2.366 1.00 0.00 O ATOM 0 H GLU A 11 -8.062 15.469 -2.345 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.520 16.613 -1.834 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.808 17.612 -1.378 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.982 16.488 -0.045 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.863 17.466 0.947 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.904 18.683 -0.313 1.00 0.00 H new ATOM 239 N LEU A 12 -6.344 13.999 -0.045 1.00 0.00 N ATOM 240 CA LEU A 12 -5.835 13.030 0.924 1.00 0.00 C ATOM 241 C LEU A 12 -4.595 12.316 0.389 1.00 0.00 C ATOM 242 O LEU A 12 -3.624 12.106 1.118 1.00 0.00 O ATOM 243 CB LEU A 12 -6.920 12.005 1.287 1.00 0.00 C ATOM 244 CG LEU A 12 -7.731 12.324 2.549 1.00 0.00 C ATOM 245 CD1 LEU A 12 -6.877 12.156 3.802 1.00 0.00 C ATOM 246 CD2 LEU A 12 -8.307 13.733 2.476 1.00 0.00 C ATOM 0 H LEU A 12 -7.228 13.737 -0.480 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.554 13.577 1.824 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.608 11.917 0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.447 11.031 1.416 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.559 11.617 2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.475 12.388 4.683 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.522 11.127 3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.024 12.832 3.754 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.879 13.940 3.381 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.494 14.454 2.388 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.960 13.814 1.607 1.00 0.00 H new ATOM 258 N LEU A 13 -4.641 11.936 -0.883 1.00 0.00 N ATOM 259 CA LEU A 13 -3.530 11.234 -1.515 1.00 0.00 C ATOM 260 C LEU A 13 -2.351 12.176 -1.757 1.00 0.00 C ATOM 261 O LEU A 13 -1.194 11.757 -1.720 1.00 0.00 O ATOM 262 CB LEU A 13 -3.991 10.603 -2.839 1.00 0.00 C ATOM 263 CG LEU A 13 -4.613 9.206 -2.724 1.00 0.00 C ATOM 264 CD1 LEU A 13 -5.670 9.176 -1.625 1.00 0.00 C ATOM 265 CD2 LEU A 13 -5.208 8.774 -4.063 1.00 0.00 C ATOM 0 H LEU A 13 -5.438 12.103 -1.498 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.196 10.444 -0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.718 11.268 -3.304 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.135 10.546 -3.512 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.827 8.500 -2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.099 8.176 -1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.211 9.437 -0.671 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.457 9.894 -1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.645 7.780 -3.963 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.981 9.482 -4.363 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.423 8.751 -4.819 1.00 0.00 H new ATOM 277 N GLN A 14 -2.652 13.446 -2.016 1.00 0.00 N ATOM 278 CA GLN A 14 -1.617 14.440 -2.279 1.00 0.00 C ATOM 279 C GLN A 14 -0.719 14.637 -1.066 1.00 0.00 C ATOM 280 O GLN A 14 0.504 14.691 -1.194 1.00 0.00 O ATOM 281 CB GLN A 14 -2.246 15.783 -2.690 1.00 0.00 C ATOM 282 CG GLN A 14 -1.408 16.586 -3.689 1.00 0.00 C ATOM 283 CD GLN A 14 -1.051 17.975 -3.185 1.00 0.00 C ATOM 284 OE1 GLN A 14 -0.226 18.125 -2.283 1.00 0.00 O ATOM 285 NE2 GLN A 14 -1.673 18.997 -3.764 1.00 0.00 N ATOM 0 H GLN A 14 -3.604 13.810 -2.049 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.005 14.069 -3.101 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.228 15.594 -3.125 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.404 16.387 -1.796 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.491 16.039 -3.908 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.958 16.676 -4.626 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.350 18.827 -4.508 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.474 19.951 -3.464 1.00 0.00 H new ATOM 294 N GLY A 15 -1.325 14.735 0.110 1.00 0.00 N ATOM 295 CA GLY A 15 -0.554 14.915 1.324 1.00 0.00 C ATOM 296 C GLY A 15 0.517 13.855 1.473 1.00 0.00 C ATOM 297 O GLY A 15 1.660 14.158 1.808 1.00 0.00 O ATOM 0 H GLY A 15 -2.335 14.693 0.245 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.090 15.901 1.317 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.220 14.882 2.186 1.00 0.00 H new ATOM 301 N TYR A 16 0.141 12.606 1.216 1.00 0.00 N ATOM 302 CA TYR A 16 1.086 11.499 1.318 1.00 0.00 C ATOM 303 C TYR A 16 2.072 11.504 0.152 1.00 0.00 C ATOM 304 O TYR A 16 3.283 11.425 0.350 1.00 0.00 O ATOM 305 CB TYR A 16 0.351 10.160 1.362 1.00 0.00 C ATOM 306 CG TYR A 16 1.271 8.989 1.641 1.00 0.00 C ATOM 307 CD1 TYR A 16 2.002 8.932 2.819 1.00 0.00 C ATOM 308 CD2 TYR A 16 1.416 7.949 0.729 1.00 0.00 C ATOM 309 CE1 TYR A 16 2.849 7.876 3.084 1.00 0.00 C ATOM 310 CE2 TYR A 16 2.261 6.886 0.989 1.00 0.00 C ATOM 311 CZ TYR A 16 2.976 6.855 2.167 1.00 0.00 C ATOM 312 OH TYR A 16 3.823 5.802 2.430 1.00 0.00 O ATOM 0 H TYR A 16 -0.803 12.336 0.938 1.00 0.00 H new ATOM 0 HA TYR A 16 1.643 11.631 2.246 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.420 10.200 2.131 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.156 9.998 0.411 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.906 9.729 3.542 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.860 7.972 -0.197 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.410 7.849 4.006 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.360 6.084 0.273 1.00 0.00 H new ATOM 0 HH TYR A 16 3.458 4.982 2.037 1.00 0.00 H new ATOM 322 N THR A 17 1.542 11.586 -1.066 1.00 0.00 N ATOM 323 CA THR A 17 2.369 11.582 -2.272 1.00 0.00 C ATOM 324 C THR A 17 3.481 12.625 -2.204 1.00 0.00 C ATOM 325 O THR A 17 4.663 12.297 -2.311 1.00 0.00 O ATOM 326 CB THR A 17 1.504 11.828 -3.510 1.00 0.00 C ATOM 327 OG1 THR A 17 0.342 11.021 -3.476 1.00 0.00 O ATOM 328 CG2 THR A 17 2.219 11.540 -4.816 1.00 0.00 C ATOM 0 H THR A 17 0.540 11.656 -1.245 1.00 0.00 H new ATOM 0 HA THR A 17 2.836 10.599 -2.342 1.00 0.00 H new ATOM 0 HB THR A 17 1.256 12.889 -3.478 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.385 11.513 -3.040 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.546 11.736 -5.650 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.097 12.181 -4.899 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.529 10.495 -4.838 1.00 0.00 H new ATOM 336 N VAL A 18 3.090 13.884 -2.039 1.00 0.00 N ATOM 337 CA VAL A 18 4.046 14.983 -1.970 1.00 0.00 C ATOM 338 C VAL A 18 5.075 14.764 -0.863 1.00 0.00 C ATOM 339 O VAL A 18 6.222 15.184 -0.989 1.00 0.00 O ATOM 340 CB VAL A 18 3.330 16.333 -1.737 1.00 0.00 C ATOM 341 CG1 VAL A 18 2.846 16.455 -0.294 1.00 0.00 C ATOM 342 CG2 VAL A 18 4.244 17.495 -2.100 1.00 0.00 C ATOM 0 H VAL A 18 2.115 14.169 -1.950 1.00 0.00 H new ATOM 0 HA VAL A 18 4.562 15.010 -2.930 1.00 0.00 H new ATOM 0 HB VAL A 18 2.456 16.368 -2.388 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.346 17.414 -0.158 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.148 15.647 -0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.698 16.391 0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.721 18.436 -1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.140 17.460 -1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.526 17.422 -3.150 1.00 0.00 H new ATOM 352 N GLU A 19 4.658 14.118 0.221 1.00 0.00 N ATOM 353 CA GLU A 19 5.552 13.864 1.348 1.00 0.00 C ATOM 354 C GLU A 19 6.529 12.728 1.044 1.00 0.00 C ATOM 355 O GLU A 19 7.719 12.824 1.342 1.00 0.00 O ATOM 356 CB GLU A 19 4.740 13.538 2.604 1.00 0.00 C ATOM 357 CG GLU A 19 5.522 13.713 3.897 1.00 0.00 C ATOM 358 CD GLU A 19 5.701 15.171 4.280 1.00 0.00 C ATOM 359 OE1 GLU A 19 4.709 15.928 4.216 1.00 0.00 O ATOM 360 OE2 GLU A 19 6.832 15.554 4.645 1.00 0.00 O ATOM 0 H GLU A 19 3.710 13.761 0.344 1.00 0.00 H new ATOM 0 HA GLU A 19 6.134 14.769 1.521 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.858 14.178 2.633 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.385 12.509 2.540 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.006 13.191 4.703 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.501 13.247 3.791 1.00 0.00 H new ATOM 367 N VAL A 20 6.016 11.653 0.453 1.00 0.00 N ATOM 368 CA VAL A 20 6.840 10.497 0.113 1.00 0.00 C ATOM 369 C VAL A 20 8.041 10.896 -0.743 1.00 0.00 C ATOM 370 O VAL A 20 9.159 10.446 -0.506 1.00 0.00 O ATOM 371 CB VAL A 20 6.014 9.426 -0.642 1.00 0.00 C ATOM 372 CG1 VAL A 20 6.900 8.267 -1.090 1.00 0.00 C ATOM 373 CG2 VAL A 20 4.855 8.920 0.222 1.00 0.00 C ATOM 0 H VAL A 20 5.033 11.558 0.199 1.00 0.00 H new ATOM 0 HA VAL A 20 7.200 10.080 1.053 1.00 0.00 H new ATOM 0 HB VAL A 20 5.594 9.894 -1.533 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.295 7.529 -1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.679 8.640 -1.755 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.360 7.802 -0.218 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.290 8.169 -0.330 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.249 8.477 1.137 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.199 9.753 0.475 1.00 0.00 H new ATOM 383 N LEU A 21 7.798 11.731 -1.747 1.00 0.00 N ATOM 384 CA LEU A 21 8.847 12.179 -2.652 1.00 0.00 C ATOM 385 C LEU A 21 9.754 13.227 -2.005 1.00 0.00 C ATOM 386 O LEU A 21 10.946 13.291 -2.303 1.00 0.00 O ATOM 387 CB LEU A 21 8.204 12.734 -3.920 1.00 0.00 C ATOM 388 CG LEU A 21 9.177 13.236 -4.987 1.00 0.00 C ATOM 389 CD1 LEU A 21 10.291 12.221 -5.240 1.00 0.00 C ATOM 390 CD2 LEU A 21 8.426 13.560 -6.279 1.00 0.00 C ATOM 0 H LEU A 21 6.875 12.113 -1.955 1.00 0.00 H new ATOM 0 HA LEU A 21 9.479 11.326 -2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.580 11.956 -4.360 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.543 13.554 -3.642 1.00 0.00 H new ATOM 0 HG LEU A 21 9.644 14.150 -4.621 1.00 0.00 H new ATOM 0 HD11 LEU A 21 10.967 12.606 -6.003 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.845 12.051 -4.317 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.856 11.281 -5.581 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.131 13.916 -7.030 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.928 12.662 -6.645 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.683 14.333 -6.084 1.00 0.00 H new ATOM 402 N ARG A 22 9.192 14.054 -1.130 1.00 0.00 N ATOM 403 CA ARG A 22 9.962 15.096 -0.465 1.00 0.00 C ATOM 404 C ARG A 22 11.106 14.523 0.370 1.00 0.00 C ATOM 405 O ARG A 22 12.192 15.102 0.418 1.00 0.00 O ATOM 406 CB ARG A 22 9.033 15.919 0.424 1.00 0.00 C ATOM 407 CG ARG A 22 9.566 17.297 0.779 1.00 0.00 C ATOM 408 CD ARG A 22 8.436 18.231 1.177 1.00 0.00 C ATOM 409 NE ARG A 22 7.725 18.748 0.011 1.00 0.00 N ATOM 410 CZ ARG A 22 6.879 19.775 0.050 1.00 0.00 C ATOM 411 NH1 ARG A 22 6.619 20.392 1.198 1.00 0.00 N ATOM 412 NH2 ARG A 22 6.284 20.185 -1.062 1.00 0.00 N ATOM 0 H ARG A 22 8.207 14.022 -0.866 1.00 0.00 H new ATOM 0 HA ARG A 22 10.407 15.727 -1.234 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.073 16.032 -0.080 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.846 15.366 1.345 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.280 17.215 1.598 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.104 17.713 -0.073 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.737 17.701 1.824 1.00 0.00 H new ATOM 0 HD3 ARG A 22 8.838 19.062 1.756 1.00 0.00 H new ATOM 0 HE ARG A 22 7.886 18.294 -0.888 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.069 20.079 2.058 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.969 21.178 1.219 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.475 19.713 -1.946 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.636 20.972 -1.033 1.00 0.00 H new ATOM 426 N GLN A 23 10.854 13.401 1.046 1.00 0.00 N ATOM 427 CA GLN A 23 11.865 12.771 1.901 1.00 0.00 C ATOM 428 C GLN A 23 12.355 11.442 1.330 1.00 0.00 C ATOM 429 O GLN A 23 13.457 10.996 1.650 1.00 0.00 O ATOM 430 CB GLN A 23 11.296 12.556 3.306 1.00 0.00 C ATOM 431 CG GLN A 23 12.352 12.202 4.350 1.00 0.00 C ATOM 432 CD GLN A 23 11.952 12.617 5.754 1.00 0.00 C ATOM 433 OE1 GLN A 23 11.742 11.775 6.627 1.00 0.00 O ATOM 434 NE2 GLN A 23 11.844 13.922 5.975 1.00 0.00 N ATOM 0 H GLN A 23 9.961 12.910 1.019 1.00 0.00 H new ATOM 0 HA GLN A 23 12.722 13.443 1.946 1.00 0.00 H new ATOM 0 HB2 GLN A 23 10.777 13.461 3.620 1.00 0.00 H new ATOM 0 HB3 GLN A 23 10.553 11.759 3.269 1.00 0.00 H new ATOM 0 HG2 GLN A 23 12.530 11.127 4.330 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.293 12.685 4.087 1.00 0.00 H new ATOM 0 HE21 GLN A 23 12.028 14.584 5.221 1.00 0.00 H new ATOM 0 HE22 GLN A 23 11.577 14.262 6.899 1.00 0.00 H new ATOM 443 N GLN A 24 11.538 10.807 0.493 1.00 0.00 N ATOM 444 CA GLN A 24 11.912 9.527 -0.104 1.00 0.00 C ATOM 445 C GLN A 24 12.278 8.510 0.981 1.00 0.00 C ATOM 446 O GLN A 24 13.448 8.372 1.339 1.00 0.00 O ATOM 447 CB GLN A 24 13.091 9.720 -1.067 1.00 0.00 C ATOM 448 CG GLN A 24 12.726 10.496 -2.332 1.00 0.00 C ATOM 449 CD GLN A 24 13.856 11.380 -2.832 1.00 0.00 C ATOM 450 OE1 GLN A 24 15.008 10.953 -2.902 1.00 0.00 O ATOM 451 NE2 GLN A 24 13.531 12.622 -3.181 1.00 0.00 N ATOM 0 H GLN A 24 10.620 11.154 0.214 1.00 0.00 H new ATOM 0 HA GLN A 24 11.057 9.143 -0.661 1.00 0.00 H new ATOM 0 HB2 GLN A 24 13.892 10.245 -0.547 1.00 0.00 H new ATOM 0 HB3 GLN A 24 13.482 8.743 -1.350 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.448 9.792 -3.116 1.00 0.00 H new ATOM 0 HG3 GLN A 24 11.850 11.113 -2.133 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.563 12.936 -3.107 1.00 0.00 H new ATOM 0 HE22 GLN A 24 14.250 13.260 -3.522 1.00 0.00 H new ATOM 460 N PRO A 25 11.281 7.788 1.531 1.00 0.00 N ATOM 461 CA PRO A 25 11.511 6.797 2.582 1.00 0.00 C ATOM 462 C PRO A 25 11.928 5.436 2.021 1.00 0.00 C ATOM 463 O PRO A 25 11.852 5.210 0.813 1.00 0.00 O ATOM 464 CB PRO A 25 10.144 6.713 3.258 1.00 0.00 C ATOM 465 CG PRO A 25 9.173 6.940 2.147 1.00 0.00 C ATOM 466 CD PRO A 25 9.849 7.886 1.180 1.00 0.00 C ATOM 0 HA PRO A 25 12.324 7.076 3.252 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.991 5.742 3.729 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.039 7.466 4.039 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.916 6.001 1.657 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.244 7.367 2.524 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.670 7.595 0.145 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.479 8.905 1.293 1.00 0.00 H new ATOM 474 N PRO A 26 12.377 4.506 2.888 1.00 0.00 N ATOM 475 CA PRO A 26 12.806 3.173 2.461 1.00 0.00 C ATOM 476 C PRO A 26 11.627 2.254 2.136 1.00 0.00 C ATOM 477 O PRO A 26 11.742 1.364 1.294 1.00 0.00 O ATOM 478 CB PRO A 26 13.596 2.628 3.673 1.00 0.00 C ATOM 479 CG PRO A 26 13.668 3.756 4.656 1.00 0.00 C ATOM 480 CD PRO A 26 12.516 4.665 4.342 1.00 0.00 C ATOM 0 HA PRO A 26 13.393 3.218 1.544 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.096 1.762 4.108 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.594 2.304 3.376 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.602 3.385 5.679 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.616 4.287 4.570 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.610 4.370 4.871 1.00 0.00 H new ATOM 0 HD3 PRO A 26 12.726 5.698 4.620 1.00 0.00 H new ATOM 488 N ASP A 27 10.499 2.469 2.815 1.00 0.00 N ATOM 489 CA ASP A 27 9.305 1.652 2.604 1.00 0.00 C ATOM 490 C ASP A 27 8.063 2.519 2.446 1.00 0.00 C ATOM 491 O ASP A 27 7.892 3.519 3.144 1.00 0.00 O ATOM 492 CB ASP A 27 9.118 0.681 3.773 1.00 0.00 C ATOM 493 CG ASP A 27 10.210 -0.369 3.830 1.00 0.00 C ATOM 494 OD1 ASP A 27 11.305 -0.059 4.343 1.00 0.00 O ATOM 495 OD2 ASP A 27 9.970 -1.501 3.360 1.00 0.00 O ATOM 0 H ASP A 27 10.388 3.202 3.515 1.00 0.00 H new ATOM 0 HA ASP A 27 9.444 1.086 1.683 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.106 1.240 4.708 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.149 0.190 3.683 1.00 0.00 H new ATOM 500 N LEU A 28 7.198 2.117 1.524 1.00 0.00 N ATOM 501 CA LEU A 28 5.957 2.838 1.259 1.00 0.00 C ATOM 502 C LEU A 28 4.889 2.452 2.281 1.00 0.00 C ATOM 503 O LEU A 28 4.293 3.311 2.931 1.00 0.00 O ATOM 504 CB LEU A 28 5.455 2.537 -0.169 1.00 0.00 C ATOM 505 CG LEU A 28 5.558 3.690 -1.176 1.00 0.00 C ATOM 506 CD1 LEU A 28 4.573 4.799 -0.830 1.00 0.00 C ATOM 507 CD2 LEU A 28 6.984 4.227 -1.248 1.00 0.00 C ATOM 0 H LEU A 28 7.333 1.290 0.943 1.00 0.00 H new ATOM 0 HA LEU A 28 6.154 3.907 1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.018 1.689 -0.559 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.412 2.226 -0.108 1.00 0.00 H new ATOM 0 HG LEU A 28 5.298 3.303 -2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.664 5.606 -1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.558 4.403 -0.851 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.792 5.182 0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.029 5.043 -1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.285 4.593 -0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.658 3.429 -1.560 1.00 0.00 H new ATOM 519 N VAL A 29 4.651 1.149 2.408 1.00 0.00 N ATOM 520 CA VAL A 29 3.652 0.634 3.339 1.00 0.00 C ATOM 521 C VAL A 29 3.886 1.150 4.758 1.00 0.00 C ATOM 522 O VAL A 29 2.948 1.584 5.429 1.00 0.00 O ATOM 523 CB VAL A 29 3.638 -0.910 3.355 1.00 0.00 C ATOM 524 CG1 VAL A 29 4.993 -1.465 3.777 1.00 0.00 C ATOM 525 CG2 VAL A 29 2.536 -1.427 4.267 1.00 0.00 C ATOM 0 H VAL A 29 5.139 0.429 1.875 1.00 0.00 H new ATOM 0 HA VAL A 29 2.685 0.995 2.988 1.00 0.00 H new ATOM 0 HB VAL A 29 3.435 -1.256 2.342 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.955 -2.554 3.780 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.758 -1.130 3.076 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.237 -1.108 4.778 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.543 -2.517 4.264 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.704 -1.066 5.282 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.570 -1.069 3.910 1.00 0.00 H new ATOM 535 N GLU A 30 5.132 1.100 5.212 1.00 0.00 N ATOM 536 CA GLU A 30 5.471 1.567 6.552 1.00 0.00 C ATOM 537 C GLU A 30 5.241 3.068 6.672 1.00 0.00 C ATOM 538 O GLU A 30 4.503 3.529 7.544 1.00 0.00 O ATOM 539 CB GLU A 30 6.929 1.237 6.879 1.00 0.00 C ATOM 540 CG GLU A 30 7.283 1.436 8.344 1.00 0.00 C ATOM 541 CD GLU A 30 6.556 0.469 9.258 1.00 0.00 C ATOM 542 OE1 GLU A 30 5.409 0.772 9.650 1.00 0.00 O ATOM 543 OE2 GLU A 30 7.133 -0.590 9.580 1.00 0.00 O ATOM 0 H GLU A 30 5.922 0.742 4.675 1.00 0.00 H new ATOM 0 HA GLU A 30 4.823 1.056 7.264 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.130 0.202 6.603 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.580 1.862 6.268 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.358 1.313 8.474 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.041 2.458 8.637 1.00 0.00 H new ATOM 550 N PHE A 31 5.880 3.824 5.788 1.00 0.00 N ATOM 551 CA PHE A 31 5.757 5.276 5.780 1.00 0.00 C ATOM 552 C PHE A 31 4.297 5.716 5.689 1.00 0.00 C ATOM 553 O PHE A 31 3.946 6.814 6.121 1.00 0.00 O ATOM 554 CB PHE A 31 6.557 5.853 4.615 1.00 0.00 C ATOM 555 CG PHE A 31 6.659 7.351 4.646 1.00 0.00 C ATOM 556 CD1 PHE A 31 7.423 7.984 5.612 1.00 0.00 C ATOM 557 CD2 PHE A 31 5.992 8.123 3.712 1.00 0.00 C ATOM 558 CE1 PHE A 31 7.520 9.362 5.646 1.00 0.00 C ATOM 559 CE2 PHE A 31 6.084 9.501 3.739 1.00 0.00 C ATOM 560 CZ PHE A 31 6.848 10.121 4.708 1.00 0.00 C ATOM 0 H PHE A 31 6.493 3.452 5.062 1.00 0.00 H new ATOM 0 HA PHE A 31 6.157 5.656 6.720 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.560 5.428 4.627 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.092 5.547 3.678 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.949 7.394 6.348 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.392 7.643 2.953 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.120 9.844 6.404 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.559 10.093 3.003 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.920 11.198 4.732 1.00 0.00 H new ATOM 570 N ALA A 32 3.452 4.859 5.128 1.00 0.00 N ATOM 571 CA ALA A 32 2.034 5.167 4.985 1.00 0.00 C ATOM 572 C ALA A 32 1.331 5.189 6.337 1.00 0.00 C ATOM 573 O ALA A 32 0.552 6.097 6.625 1.00 0.00 O ATOM 574 CB ALA A 32 1.378 4.176 4.046 1.00 0.00 C ATOM 0 H ALA A 32 3.724 3.946 4.765 1.00 0.00 H new ATOM 0 HA ALA A 32 1.942 6.165 4.557 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.319 4.415 3.946 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.856 4.230 3.068 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.486 3.168 4.447 1.00 0.00 H new ATOM 580 N VAL A 33 1.636 4.211 7.178 1.00 0.00 N ATOM 581 CA VAL A 33 1.056 4.152 8.512 1.00 0.00 C ATOM 582 C VAL A 33 1.571 5.333 9.328 1.00 0.00 C ATOM 583 O VAL A 33 0.783 6.138 9.826 1.00 0.00 O ATOM 584 CB VAL A 33 1.433 2.829 9.213 1.00 0.00 C ATOM 585 CG1 VAL A 33 0.883 2.781 10.629 1.00 0.00 C ATOM 586 CG2 VAL A 33 0.940 1.640 8.399 1.00 0.00 C ATOM 0 H VAL A 33 2.280 3.450 6.961 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.030 4.198 8.431 1.00 0.00 H new ATOM 0 HB VAL A 33 2.520 2.777 9.279 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.165 1.838 11.097 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.293 3.609 11.207 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.204 2.861 10.600 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.213 0.714 8.905 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.144 1.692 8.298 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.398 1.661 7.410 1.00 0.00 H new ATOM 596 N GLU A 34 2.883 5.439 9.462 1.00 0.00 N ATOM 597 CA GLU A 34 3.486 6.533 10.223 1.00 0.00 C ATOM 598 C GLU A 34 2.885 7.885 9.826 1.00 0.00 C ATOM 599 O GLU A 34 2.733 8.775 10.663 1.00 0.00 O ATOM 600 CB GLU A 34 5.002 6.555 10.008 1.00 0.00 C ATOM 601 CG GLU A 34 5.709 5.312 10.525 1.00 0.00 C ATOM 602 CD GLU A 34 7.219 5.446 10.496 1.00 0.00 C ATOM 603 OE1 GLU A 34 7.755 6.296 11.237 1.00 0.00 O ATOM 604 OE2 GLU A 34 7.867 4.700 9.730 1.00 0.00 O ATOM 0 H GLU A 34 3.553 4.785 9.057 1.00 0.00 H new ATOM 0 HA GLU A 34 3.273 6.362 11.278 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.208 6.663 8.943 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.418 7.432 10.504 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.385 5.113 11.546 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.412 4.453 9.923 1.00 0.00 H new ATOM 611 N TYR A 35 2.550 8.034 8.547 1.00 0.00 N ATOM 612 CA TYR A 35 1.970 9.279 8.038 1.00 0.00 C ATOM 613 C TYR A 35 0.483 9.399 8.372 1.00 0.00 C ATOM 614 O TYR A 35 0.035 10.430 8.872 1.00 0.00 O ATOM 615 CB TYR A 35 2.166 9.371 6.523 1.00 0.00 C ATOM 616 CG TYR A 35 1.590 10.633 5.907 1.00 0.00 C ATOM 617 CD1 TYR A 35 0.221 10.761 5.693 1.00 0.00 C ATOM 618 CD2 TYR A 35 2.412 11.691 5.533 1.00 0.00 C ATOM 619 CE1 TYR A 35 -0.309 11.904 5.126 1.00 0.00 C ATOM 620 CE2 TYR A 35 1.887 12.838 4.965 1.00 0.00 C ATOM 621 CZ TYR A 35 0.527 12.939 4.765 1.00 0.00 C ATOM 622 OH TYR A 35 0.001 14.078 4.200 1.00 0.00 O ATOM 0 H TYR A 35 2.670 7.308 7.841 1.00 0.00 H new ATOM 0 HA TYR A 35 2.489 10.102 8.529 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.232 9.323 6.300 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.702 8.504 6.053 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.438 9.953 5.975 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.478 11.616 5.689 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.374 11.986 4.966 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.539 13.650 4.680 1.00 0.00 H new ATOM 0 HH TYR A 35 0.724 14.710 4.005 1.00 0.00 H new ATOM 632 N PHE A 36 -0.284 8.351 8.075 1.00 0.00 N ATOM 633 CA PHE A 36 -1.723 8.362 8.329 1.00 0.00 C ATOM 634 C PHE A 36 -2.035 8.361 9.826 1.00 0.00 C ATOM 635 O PHE A 36 -2.938 9.065 10.276 1.00 0.00 O ATOM 636 CB PHE A 36 -2.397 7.167 7.635 1.00 0.00 C ATOM 637 CG PHE A 36 -2.891 7.483 6.245 1.00 0.00 C ATOM 638 CD1 PHE A 36 -4.027 8.257 6.065 1.00 0.00 C ATOM 639 CD2 PHE A 36 -2.223 7.015 5.123 1.00 0.00 C ATOM 640 CE1 PHE A 36 -4.485 8.559 4.796 1.00 0.00 C ATOM 641 CE2 PHE A 36 -2.678 7.312 3.852 1.00 0.00 C ATOM 642 CZ PHE A 36 -3.810 8.084 3.689 1.00 0.00 C ATOM 0 H PHE A 36 0.065 7.487 7.660 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.126 9.286 7.913 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.689 6.340 7.582 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.236 6.829 8.243 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.561 8.629 6.927 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.336 6.411 5.244 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.370 9.166 4.671 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.148 6.940 2.987 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.168 8.316 2.697 1.00 0.00 H new ATOM 652 N THR A 37 -1.291 7.573 10.596 1.00 0.00 N ATOM 653 CA THR A 37 -1.511 7.500 12.037 1.00 0.00 C ATOM 654 C THR A 37 -1.343 8.872 12.684 1.00 0.00 C ATOM 655 O THR A 37 -2.218 9.335 13.413 1.00 0.00 O ATOM 656 CB THR A 37 -0.554 6.497 12.681 1.00 0.00 C ATOM 657 OG1 THR A 37 0.789 6.782 12.328 1.00 0.00 O ATOM 658 CG2 THR A 37 -0.841 5.066 12.288 1.00 0.00 C ATOM 0 H THR A 37 -0.536 6.980 10.250 1.00 0.00 H new ATOM 0 HA THR A 37 -2.534 7.162 12.201 1.00 0.00 H new ATOM 0 HB THR A 37 -0.706 6.600 13.755 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.012 6.323 11.491 1.00 0.00 H new ATOM 0 HG21 THR A 37 -0.127 4.404 12.778 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.853 4.800 12.595 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.750 4.960 11.207 1.00 0.00 H new ATOM 666 N ARG A 38 -0.214 9.520 12.408 1.00 0.00 N ATOM 667 CA ARG A 38 0.063 10.844 12.962 1.00 0.00 C ATOM 668 C ARG A 38 -1.115 11.787 12.717 1.00 0.00 C ATOM 669 O ARG A 38 -1.663 12.370 13.653 1.00 0.00 O ATOM 670 CB ARG A 38 1.350 11.425 12.347 1.00 0.00 C ATOM 671 CG ARG A 38 2.551 11.400 13.285 1.00 0.00 C ATOM 672 CD ARG A 38 2.905 9.982 13.723 1.00 0.00 C ATOM 673 NE ARG A 38 4.347 9.810 13.893 1.00 0.00 N ATOM 674 CZ ARG A 38 4.938 8.633 14.086 1.00 0.00 C ATOM 675 NH1 ARG A 38 4.215 7.521 14.148 1.00 0.00 N ATOM 676 NH2 ARG A 38 6.255 8.567 14.220 1.00 0.00 N ATOM 0 H ARG A 38 0.522 9.152 11.806 1.00 0.00 H new ATOM 0 HA ARG A 38 0.206 10.743 14.038 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.595 10.864 11.445 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.162 12.454 12.041 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.409 11.850 12.787 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.337 12.008 14.164 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.399 9.754 14.661 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.539 9.271 12.982 1.00 0.00 H new ATOM 0 HE ARG A 38 4.936 10.642 13.862 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.201 7.566 14.048 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.674 6.622 14.296 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.815 9.418 14.175 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.708 7.665 14.368 1.00 0.00 H new ATOM 690 N LEU A 39 -1.500 11.923 11.450 1.00 0.00 N ATOM 691 CA LEU A 39 -2.616 12.788 11.076 1.00 0.00 C ATOM 692 C LEU A 39 -3.849 12.478 11.926 1.00 0.00 C ATOM 693 O LEU A 39 -4.397 13.360 12.588 1.00 0.00 O ATOM 694 CB LEU A 39 -2.938 12.621 9.585 1.00 0.00 C ATOM 695 CG LEU A 39 -3.581 13.838 8.916 1.00 0.00 C ATOM 696 CD1 LEU A 39 -3.710 13.615 7.417 1.00 0.00 C ATOM 697 CD2 LEU A 39 -4.941 14.134 9.535 1.00 0.00 C ATOM 0 H LEU A 39 -1.056 11.446 10.666 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.327 13.823 11.259 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.016 12.380 9.056 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.605 11.767 9.467 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.937 14.702 9.080 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.169 14.490 6.957 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.721 13.455 6.986 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.332 12.739 7.232 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.382 15.003 9.046 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.596 13.272 9.404 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.820 14.339 10.599 1.00 0.00 H new ATOM 709 N ARG A 40 -4.272 11.216 11.909 1.00 0.00 N ATOM 710 CA ARG A 40 -5.432 10.788 12.683 1.00 0.00 C ATOM 711 C ARG A 40 -5.249 11.107 14.164 1.00 0.00 C ATOM 712 O ARG A 40 -6.107 11.731 14.788 1.00 0.00 O ATOM 713 CB ARG A 40 -5.663 9.286 12.504 1.00 0.00 C ATOM 714 CG ARG A 40 -7.014 8.816 13.025 1.00 0.00 C ATOM 715 CD ARG A 40 -8.155 9.661 12.471 1.00 0.00 C ATOM 716 NE ARG A 40 -9.392 8.908 12.361 1.00 0.00 N ATOM 717 CZ ARG A 40 -10.183 8.611 13.392 1.00 0.00 C ATOM 718 NH1 ARG A 40 -9.841 8.960 14.626 1.00 0.00 N ATOM 719 NH2 ARG A 40 -11.317 7.957 13.186 1.00 0.00 N ATOM 0 H ARG A 40 -3.829 10.474 11.368 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.301 11.333 12.316 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.583 9.037 11.446 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.873 8.740 13.020 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.167 7.772 12.750 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.021 8.864 14.114 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.313 10.524 13.118 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.877 10.045 11.490 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.674 8.586 11.435 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.967 9.459 14.791 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.452 8.729 15.409 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.583 7.682 12.240 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.924 7.728 13.973 1.00 0.00 H new ATOM 963 N PRO B 7 8.901 4.730 -8.242 1.00 0.00 N ATOM 964 CA PRO B 7 8.088 3.604 -8.704 1.00 0.00 C ATOM 965 C PRO B 7 7.370 2.883 -7.563 1.00 0.00 C ATOM 966 O PRO B 7 7.874 2.823 -6.443 1.00 0.00 O ATOM 967 CB PRO B 7 9.136 2.696 -9.340 1.00 0.00 C ATOM 968 CG PRO B 7 10.339 2.882 -8.480 1.00 0.00 C ATOM 969 CD PRO B 7 10.308 4.324 -8.023 1.00 0.00 C ATOM 0 HA PRO B 7 7.286 3.913 -9.374 1.00 0.00 H new ATOM 0 HB2 PRO B 7 8.810 1.656 -9.352 1.00 0.00 H new ATOM 0 HB3 PRO B 7 9.336 2.979 -10.374 1.00 0.00 H new ATOM 0 HG2 PRO B 7 10.318 2.202 -7.628 1.00 0.00 H new ATOM 0 HG3 PRO B 7 11.252 2.669 -9.036 1.00 0.00 H new ATOM 0 HD2 PRO B 7 10.594 4.419 -6.975 1.00 0.00 H new ATOM 0 HD3 PRO B 7 10.997 4.942 -8.599 1.00 0.00 H new ATOM 977 N GLY B 8 6.189 2.339 -7.857 1.00 0.00 N ATOM 978 CA GLY B 8 5.422 1.629 -6.843 1.00 0.00 C ATOM 979 C GLY B 8 4.375 2.510 -6.192 1.00 0.00 C ATOM 980 O GLY B 8 3.290 2.044 -5.843 1.00 0.00 O ATOM 0 H GLY B 8 5.750 2.377 -8.777 1.00 0.00 H new ATOM 0 HA2 GLY B 8 4.936 0.765 -7.297 1.00 0.00 H new ATOM 0 HA3 GLY B 8 6.099 1.248 -6.079 1.00 0.00 H new ATOM 984 N LEU B 9 4.698 3.788 -6.035 1.00 0.00 N ATOM 985 CA LEU B 9 3.777 4.745 -5.427 1.00 0.00 C ATOM 986 C LEU B 9 2.418 4.705 -6.126 1.00 0.00 C ATOM 987 O LEU B 9 1.376 4.739 -5.472 1.00 0.00 O ATOM 988 CB LEU B 9 4.363 6.168 -5.497 1.00 0.00 C ATOM 989 CG LEU B 9 4.792 6.768 -4.154 1.00 0.00 C ATOM 990 CD1 LEU B 9 5.663 8.001 -4.370 1.00 0.00 C ATOM 991 CD2 LEU B 9 3.570 7.112 -3.311 1.00 0.00 C ATOM 0 H LEU B 9 5.592 4.188 -6.320 1.00 0.00 H new ATOM 0 HA LEU B 9 3.638 4.469 -4.382 1.00 0.00 H new ATOM 0 HB2 LEU B 9 5.226 6.155 -6.162 1.00 0.00 H new ATOM 0 HB3 LEU B 9 3.622 6.826 -5.950 1.00 0.00 H new ATOM 0 HG LEU B 9 5.382 6.025 -3.617 1.00 0.00 H new ATOM 0 HD11 LEU B 9 5.957 8.412 -3.404 1.00 0.00 H new ATOM 0 HD12 LEU B 9 6.554 7.723 -4.933 1.00 0.00 H new ATOM 0 HD13 LEU B 9 5.101 8.750 -4.927 1.00 0.00 H new ATOM 0 HD21 LEU B 9 3.892 7.537 -2.360 1.00 0.00 H new ATOM 0 HD22 LEU B 9 2.954 7.837 -3.843 1.00 0.00 H new ATOM 0 HD23 LEU B 9 2.989 6.208 -3.126 1.00 0.00 H new ATOM 1003 N THR B 10 2.431 4.638 -7.449 1.00 0.00 N ATOM 1004 CA THR B 10 1.189 4.601 -8.208 1.00 0.00 C ATOM 1005 C THR B 10 0.339 3.390 -7.823 1.00 0.00 C ATOM 1006 O THR B 10 -0.843 3.519 -7.508 1.00 0.00 O ATOM 1007 CB THR B 10 1.468 4.593 -9.717 1.00 0.00 C ATOM 1008 OG1 THR B 10 2.615 5.370 -10.015 1.00 0.00 O ATOM 1009 CG2 THR B 10 0.317 5.139 -10.546 1.00 0.00 C ATOM 0 H THR B 10 3.279 4.608 -8.015 1.00 0.00 H new ATOM 0 HA THR B 10 0.629 5.503 -7.962 1.00 0.00 H new ATOM 0 HB THR B 10 1.617 3.545 -9.978 1.00 0.00 H new ATOM 0 HG1 THR B 10 2.780 5.353 -10.981 1.00 0.00 H new ATOM 0 HG21 THR B 10 0.581 5.104 -11.603 1.00 0.00 H new ATOM 0 HG22 THR B 10 -0.574 4.534 -10.375 1.00 0.00 H new ATOM 0 HG23 THR B 10 0.117 6.170 -10.256 1.00 0.00 H new ATOM 1017 N GLU B 11 0.952 2.210 -7.858 1.00 0.00 N ATOM 1018 CA GLU B 11 0.261 0.969 -7.521 1.00 0.00 C ATOM 1019 C GLU B 11 -0.295 0.995 -6.096 1.00 0.00 C ATOM 1020 O GLU B 11 -1.430 0.585 -5.859 1.00 0.00 O ATOM 1021 CB GLU B 11 1.205 -0.224 -7.686 1.00 0.00 C ATOM 1022 CG GLU B 11 0.505 -1.569 -7.608 1.00 0.00 C ATOM 1023 CD GLU B 11 1.440 -2.731 -7.884 1.00 0.00 C ATOM 1024 OE1 GLU B 11 2.055 -2.753 -8.970 1.00 0.00 O ATOM 1025 OE2 GLU B 11 1.556 -3.619 -7.013 1.00 0.00 O ATOM 0 H GLU B 11 1.931 2.087 -8.118 1.00 0.00 H new ATOM 0 HA GLU B 11 -0.580 0.868 -8.207 1.00 0.00 H new ATOM 0 HB2 GLU B 11 1.714 -0.144 -8.647 1.00 0.00 H new ATOM 0 HB3 GLU B 11 1.973 -0.178 -6.914 1.00 0.00 H new ATOM 0 HG2 GLU B 11 0.066 -1.689 -6.618 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -0.315 -1.589 -8.325 1.00 0.00 H new ATOM 1032 N LEU B 12 0.511 1.464 -5.149 1.00 0.00 N ATOM 1033 CA LEU B 12 0.091 1.525 -3.751 1.00 0.00 C ATOM 1034 C LEU B 12 -1.175 2.367 -3.589 1.00 0.00 C ATOM 1035 O LEU B 12 -2.179 1.889 -3.060 1.00 0.00 O ATOM 1036 CB LEU B 12 1.226 2.083 -2.874 1.00 0.00 C ATOM 1037 CG LEU B 12 2.131 1.031 -2.219 1.00 0.00 C ATOM 1038 CD1 LEU B 12 1.355 0.192 -1.208 1.00 0.00 C ATOM 1039 CD2 LEU B 12 2.775 0.141 -3.277 1.00 0.00 C ATOM 0 H LEU B 12 1.456 1.807 -5.322 1.00 0.00 H new ATOM 0 HA LEU B 12 -0.138 0.511 -3.424 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.845 2.740 -3.485 1.00 0.00 H new ATOM 0 HB3 LEU B 12 0.786 2.699 -2.089 1.00 0.00 H new ATOM 0 HG LEU B 12 2.922 1.555 -1.683 1.00 0.00 H new ATOM 0 HD11 LEU B 12 2.021 -0.545 -0.759 1.00 0.00 H new ATOM 0 HD12 LEU B 12 0.954 0.840 -0.429 1.00 0.00 H new ATOM 0 HD13 LEU B 12 0.535 -0.319 -1.712 1.00 0.00 H new ATOM 0 HD21 LEU B 12 3.413 -0.598 -2.792 1.00 0.00 H new ATOM 0 HD22 LEU B 12 1.997 -0.368 -3.846 1.00 0.00 H new ATOM 0 HD23 LEU B 12 3.376 0.753 -3.950 1.00 0.00 H new ATOM 1051 N LEU B 13 -1.131 3.612 -4.050 1.00 0.00 N ATOM 1052 CA LEU B 13 -2.289 4.496 -3.953 1.00 0.00 C ATOM 1053 C LEU B 13 -3.481 3.889 -4.694 1.00 0.00 C ATOM 1054 O LEU B 13 -4.632 4.092 -4.308 1.00 0.00 O ATOM 1055 CB LEU B 13 -1.951 5.881 -4.524 1.00 0.00 C ATOM 1056 CG LEU B 13 -1.342 6.865 -3.523 1.00 0.00 C ATOM 1057 CD1 LEU B 13 -0.060 6.304 -2.930 1.00 0.00 C ATOM 1058 CD2 LEU B 13 -1.078 8.208 -4.189 1.00 0.00 C ATOM 0 H LEU B 13 -0.313 4.031 -4.492 1.00 0.00 H new ATOM 0 HA LEU B 13 -2.555 4.610 -2.902 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -1.256 5.755 -5.354 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -2.861 6.320 -4.934 1.00 0.00 H new ATOM 0 HG LEU B 13 -2.056 7.015 -2.713 1.00 0.00 H new ATOM 0 HD11 LEU B 13 0.356 7.020 -2.221 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -0.276 5.368 -2.416 1.00 0.00 H new ATOM 0 HD13 LEU B 13 0.661 6.122 -3.727 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -0.645 8.896 -3.462 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -0.384 8.073 -5.019 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -2.016 8.619 -4.563 1.00 0.00 H new ATOM 1070 N GLN B 14 -3.195 3.143 -5.755 1.00 0.00 N ATOM 1071 CA GLN B 14 -4.244 2.504 -6.546 1.00 0.00 C ATOM 1072 C GLN B 14 -4.929 1.401 -5.741 1.00 0.00 C ATOM 1073 O GLN B 14 -6.150 1.264 -5.774 1.00 0.00 O ATOM 1074 CB GLN B 14 -3.661 1.925 -7.842 1.00 0.00 C ATOM 1075 CG GLN B 14 -3.505 2.945 -8.959 1.00 0.00 C ATOM 1076 CD GLN B 14 -2.807 2.370 -10.176 1.00 0.00 C ATOM 1077 OE1 GLN B 14 -1.761 2.865 -10.597 1.00 0.00 O ATOM 1078 NE2 GLN B 14 -3.383 1.320 -10.747 1.00 0.00 N ATOM 0 H GLN B 14 -2.248 2.965 -6.088 1.00 0.00 H new ATOM 0 HA GLN B 14 -4.986 3.260 -6.802 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -2.687 1.486 -7.626 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -4.305 1.117 -8.189 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -4.488 3.315 -9.249 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -2.939 3.800 -8.590 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -4.250 0.943 -10.364 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -2.959 0.890 -11.569 1.00 0.00 H new ATOM 1087 N GLY B 15 -4.131 0.612 -5.029 1.00 0.00 N ATOM 1088 CA GLY B 15 -4.670 -0.480 -4.235 1.00 0.00 C ATOM 1089 C GLY B 15 -5.675 -0.029 -3.190 1.00 0.00 C ATOM 1090 O GLY B 15 -6.652 -0.725 -2.917 1.00 0.00 O ATOM 0 H GLY B 15 -3.116 0.709 -4.987 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -5.147 -1.201 -4.899 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -3.849 -0.998 -3.739 1.00 0.00 H new ATOM 1094 N TYR B 16 -5.425 1.131 -2.588 1.00 0.00 N ATOM 1095 CA TYR B 16 -6.308 1.669 -1.554 1.00 0.00 C ATOM 1096 C TYR B 16 -7.538 2.343 -2.160 1.00 0.00 C ATOM 1097 O TYR B 16 -8.664 2.092 -1.733 1.00 0.00 O ATOM 1098 CB TYR B 16 -5.544 2.669 -0.679 1.00 0.00 C ATOM 1099 CG TYR B 16 -6.429 3.472 0.255 1.00 0.00 C ATOM 1100 CD1 TYR B 16 -6.965 2.894 1.399 1.00 0.00 C ATOM 1101 CD2 TYR B 16 -6.729 4.804 -0.009 1.00 0.00 C ATOM 1102 CE1 TYR B 16 -7.774 3.620 2.253 1.00 0.00 C ATOM 1103 CE2 TYR B 16 -7.535 5.536 0.842 1.00 0.00 C ATOM 1104 CZ TYR B 16 -8.055 4.939 1.971 1.00 0.00 C ATOM 1105 OH TYR B 16 -8.859 5.665 2.820 1.00 0.00 O ATOM 0 H TYR B 16 -4.618 1.718 -2.798 1.00 0.00 H new ATOM 0 HA TYR B 16 -6.650 0.835 -0.941 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -4.805 2.128 -0.088 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -4.996 3.356 -1.324 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -6.746 1.861 1.625 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -6.325 5.274 -0.894 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -8.184 3.155 3.137 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -7.756 6.570 0.624 1.00 0.00 H new ATOM 0 HH TYR B 16 -8.957 6.578 2.477 1.00 0.00 H new ATOM 1115 N THR B 17 -7.314 3.206 -3.142 1.00 0.00 N ATOM 1116 CA THR B 17 -8.401 3.934 -3.795 1.00 0.00 C ATOM 1117 C THR B 17 -9.503 2.998 -4.291 1.00 0.00 C ATOM 1118 O THR B 17 -10.678 3.193 -3.979 1.00 0.00 O ATOM 1119 CB THR B 17 -7.852 4.759 -4.961 1.00 0.00 C ATOM 1120 OG1 THR B 17 -6.694 5.473 -4.565 1.00 0.00 O ATOM 1121 CG2 THR B 17 -8.844 5.764 -5.508 1.00 0.00 C ATOM 0 H THR B 17 -6.386 3.422 -3.507 1.00 0.00 H new ATOM 0 HA THR B 17 -8.844 4.597 -3.052 1.00 0.00 H new ATOM 0 HB THR B 17 -7.626 4.035 -5.744 1.00 0.00 H new ATOM 0 HG1 THR B 17 -5.895 4.990 -4.862 1.00 0.00 H new ATOM 0 HG21 THR B 17 -8.388 6.313 -6.332 1.00 0.00 H new ATOM 0 HG22 THR B 17 -9.731 5.242 -5.867 1.00 0.00 H new ATOM 0 HG23 THR B 17 -9.128 6.461 -4.720 1.00 0.00 H new ATOM 1129 N VAL B 18 -9.126 1.990 -5.072 1.00 0.00 N ATOM 1130 CA VAL B 18 -10.094 1.037 -5.617 1.00 0.00 C ATOM 1131 C VAL B 18 -11.069 0.540 -4.551 1.00 0.00 C ATOM 1132 O VAL B 18 -12.246 0.322 -4.831 1.00 0.00 O ATOM 1133 CB VAL B 18 -9.398 -0.188 -6.251 1.00 0.00 C ATOM 1134 CG1 VAL B 18 -8.623 0.214 -7.497 1.00 0.00 C ATOM 1135 CG2 VAL B 18 -8.486 -0.867 -5.238 1.00 0.00 C ATOM 0 H VAL B 18 -8.159 1.810 -5.343 1.00 0.00 H new ATOM 0 HA VAL B 18 -10.645 1.580 -6.385 1.00 0.00 H new ATOM 0 HB VAL B 18 -10.166 -0.901 -6.551 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -8.142 -0.665 -7.926 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -9.307 0.646 -8.228 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -7.864 0.950 -7.232 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -8.004 -1.728 -5.702 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -7.725 -0.162 -4.903 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -9.075 -1.198 -4.383 1.00 0.00 H new ATOM 1145 N GLU B 19 -10.570 0.371 -3.329 1.00 0.00 N ATOM 1146 CA GLU B 19 -11.399 -0.102 -2.222 1.00 0.00 C ATOM 1147 C GLU B 19 -12.358 0.987 -1.751 1.00 0.00 C ATOM 1148 O GLU B 19 -13.490 0.701 -1.358 1.00 0.00 O ATOM 1149 CB GLU B 19 -10.523 -0.577 -1.057 1.00 0.00 C ATOM 1150 CG GLU B 19 -9.773 -1.875 -1.342 1.00 0.00 C ATOM 1151 CD GLU B 19 -9.484 -2.676 -0.086 1.00 0.00 C ATOM 1152 OE1 GLU B 19 -9.457 -2.076 1.009 1.00 0.00 O ATOM 1153 OE2 GLU B 19 -9.287 -3.905 -0.198 1.00 0.00 O ATOM 0 H GLU B 19 -9.598 0.554 -3.080 1.00 0.00 H new ATOM 0 HA GLU B 19 -11.989 -0.944 -2.582 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -9.801 0.203 -0.815 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -11.150 -0.716 -0.176 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -10.360 -2.485 -2.029 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -8.834 -1.644 -1.844 1.00 0.00 H new ATOM 1160 N VAL B 20 -11.909 2.236 -1.800 1.00 0.00 N ATOM 1161 CA VAL B 20 -12.741 3.357 -1.385 1.00 0.00 C ATOM 1162 C VAL B 20 -13.942 3.492 -2.314 1.00 0.00 C ATOM 1163 O VAL B 20 -15.066 3.712 -1.872 1.00 0.00 O ATOM 1164 CB VAL B 20 -11.950 4.685 -1.382 1.00 0.00 C ATOM 1165 CG1 VAL B 20 -12.787 5.815 -0.795 1.00 0.00 C ATOM 1166 CG2 VAL B 20 -10.646 4.532 -0.609 1.00 0.00 C ATOM 0 H VAL B 20 -10.977 2.496 -2.122 1.00 0.00 H new ATOM 0 HA VAL B 20 -13.077 3.154 -0.368 1.00 0.00 H new ATOM 0 HB VAL B 20 -11.712 4.938 -2.415 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -12.208 6.739 -0.804 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -13.690 5.947 -1.391 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -13.062 5.569 0.231 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -10.104 5.478 -0.619 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -10.865 4.250 0.421 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -10.035 3.759 -1.075 1.00 0.00 H new ATOM 1176 N LEU B 21 -13.685 3.381 -3.607 1.00 0.00 N ATOM 1177 CA LEU B 21 -14.729 3.507 -4.613 1.00 0.00 C ATOM 1178 C LEU B 21 -15.832 2.460 -4.434 1.00 0.00 C ATOM 1179 O LEU B 21 -17.014 2.802 -4.382 1.00 0.00 O ATOM 1180 CB LEU B 21 -14.118 3.401 -6.013 1.00 0.00 C ATOM 1181 CG LEU B 21 -13.290 4.620 -6.447 1.00 0.00 C ATOM 1182 CD1 LEU B 21 -12.212 4.219 -7.445 1.00 0.00 C ATOM 1183 CD2 LEU B 21 -14.190 5.703 -7.035 1.00 0.00 C ATOM 0 H LEU B 21 -12.756 3.203 -3.987 1.00 0.00 H new ATOM 0 HA LEU B 21 -15.191 4.486 -4.489 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -13.483 2.516 -6.051 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -14.921 3.249 -6.734 1.00 0.00 H new ATOM 0 HG LEU B 21 -12.799 5.025 -5.562 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -11.640 5.100 -7.736 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -11.545 3.489 -6.987 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -12.678 3.781 -8.328 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -13.583 6.557 -7.336 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -14.715 5.307 -7.904 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -14.916 6.020 -6.286 1.00 0.00 H new ATOM 1195 N ARG B 22 -15.450 1.185 -4.369 1.00 0.00 N ATOM 1196 CA ARG B 22 -16.421 0.102 -4.231 1.00 0.00 C ATOM 1197 C ARG B 22 -17.075 0.042 -2.847 1.00 0.00 C ATOM 1198 O ARG B 22 -18.162 -0.517 -2.704 1.00 0.00 O ATOM 1199 CB ARG B 22 -15.759 -1.234 -4.537 1.00 0.00 C ATOM 1200 CG ARG B 22 -14.816 -1.718 -3.445 1.00 0.00 C ATOM 1201 CD ARG B 22 -13.655 -2.487 -4.033 1.00 0.00 C ATOM 1202 NE ARG B 22 -14.105 -3.486 -4.997 1.00 0.00 N ATOM 1203 CZ ARG B 22 -13.424 -4.587 -5.312 1.00 0.00 C ATOM 1204 NH1 ARG B 22 -12.233 -4.825 -4.775 1.00 0.00 N ATOM 1205 NH2 ARG B 22 -13.933 -5.451 -6.181 1.00 0.00 N ATOM 0 H ARG B 22 -14.478 0.878 -4.410 1.00 0.00 H new ATOM 0 HA ARG B 22 -17.215 0.309 -4.949 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -16.533 -1.985 -4.694 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -15.204 -1.148 -5.471 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -14.442 -0.865 -2.878 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -15.360 -2.352 -2.745 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -12.968 -1.794 -4.520 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -13.100 -2.977 -3.233 1.00 0.00 H new ATOM 0 HE ARG B 22 -15.000 -3.331 -5.460 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -11.830 -4.161 -4.114 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -11.721 -5.671 -5.024 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -14.843 -5.271 -6.606 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -13.414 -6.295 -6.424 1.00 0.00 H new ATOM 1219 N GLN B 23 -16.410 0.590 -1.827 1.00 0.00 N ATOM 1220 CA GLN B 23 -16.945 0.557 -0.462 1.00 0.00 C ATOM 1221 C GLN B 23 -17.430 1.929 -0.015 1.00 0.00 C ATOM 1222 O GLN B 23 -18.560 2.079 0.448 1.00 0.00 O ATOM 1223 CB GLN B 23 -15.875 0.044 0.506 1.00 0.00 C ATOM 1224 CG GLN B 23 -16.422 -0.325 1.876 1.00 0.00 C ATOM 1225 CD GLN B 23 -15.445 -1.146 2.695 1.00 0.00 C ATOM 1226 OE1 GLN B 23 -14.940 -0.690 3.721 1.00 0.00 O ATOM 1227 NE2 GLN B 23 -15.173 -2.365 2.243 1.00 0.00 N ATOM 0 H GLN B 23 -15.508 1.058 -1.918 1.00 0.00 H new ATOM 0 HA GLN B 23 -17.800 -0.119 -0.456 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -15.391 -0.830 0.070 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -15.107 0.808 0.624 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -16.671 0.586 2.421 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -17.348 -0.886 1.754 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -15.615 -2.702 1.388 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -14.522 -2.964 2.751 1.00 0.00 H new ATOM 1236 N GLN B 24 -16.565 2.924 -0.149 1.00 0.00 N ATOM 1237 CA GLN B 24 -16.891 4.288 0.245 1.00 0.00 C ATOM 1238 C GLN B 24 -17.127 4.372 1.755 1.00 0.00 C ATOM 1239 O GLN B 24 -18.247 4.176 2.225 1.00 0.00 O ATOM 1240 CB GLN B 24 -18.126 4.785 -0.513 1.00 0.00 C ATOM 1241 CG GLN B 24 -18.086 4.484 -2.003 1.00 0.00 C ATOM 1242 CD GLN B 24 -19.299 5.017 -2.740 1.00 0.00 C ATOM 1243 OE1 GLN B 24 -20.105 5.757 -2.178 1.00 0.00 O ATOM 1244 NE2 GLN B 24 -19.435 4.639 -4.006 1.00 0.00 N ATOM 0 H GLN B 24 -15.626 2.811 -0.530 1.00 0.00 H new ATOM 0 HA GLN B 24 -16.046 4.927 -0.009 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -19.016 4.327 -0.082 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -18.221 5.861 -0.370 1.00 0.00 H new ATOM 0 HG2 GLN B 24 -17.184 4.919 -2.433 1.00 0.00 H new ATOM 0 HG3 GLN B 24 -18.021 3.406 -2.150 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -18.742 4.024 -4.432 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -20.233 4.964 -4.552 1.00 0.00 H new ATOM 1253 N PRO B 25 -16.068 4.659 2.542 1.00 0.00 N ATOM 1254 CA PRO B 25 -16.163 4.757 3.996 1.00 0.00 C ATOM 1255 C PRO B 25 -16.488 6.173 4.466 1.00 0.00 C ATOM 1256 O PRO B 25 -16.427 7.121 3.683 1.00 0.00 O ATOM 1257 CB PRO B 25 -14.758 4.351 4.430 1.00 0.00 C ATOM 1258 CG PRO B 25 -13.872 4.893 3.356 1.00 0.00 C ATOM 1259 CD PRO B 25 -14.690 4.903 2.082 1.00 0.00 C ATOM 0 HA PRO B 25 -16.962 4.143 4.413 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -14.505 4.770 5.404 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -14.665 3.268 4.515 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -13.532 5.898 3.605 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -12.982 4.275 3.240 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -14.606 5.857 1.561 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -14.358 4.131 1.388 1.00 0.00 H new ATOM 1267 N PRO B 26 -16.834 6.342 5.757 1.00 0.00 N ATOM 1268 CA PRO B 26 -17.162 7.656 6.314 1.00 0.00 C ATOM 1269 C PRO B 26 -15.948 8.583 6.347 1.00 0.00 C ATOM 1270 O PRO B 26 -16.073 9.788 6.132 1.00 0.00 O ATOM 1271 CB PRO B 26 -17.643 7.346 7.746 1.00 0.00 C ATOM 1272 CG PRO B 26 -17.887 5.874 7.772 1.00 0.00 C ATOM 1273 CD PRO B 26 -16.935 5.282 6.774 1.00 0.00 C ATOM 0 HA PRO B 26 -17.908 8.175 5.712 1.00 0.00 H new ATOM 0 HB2 PRO B 26 -16.893 7.633 8.483 1.00 0.00 H new ATOM 0 HB3 PRO B 26 -18.552 7.899 7.984 1.00 0.00 H new ATOM 0 HG2 PRO B 26 -17.712 5.467 8.768 1.00 0.00 H new ATOM 0 HG3 PRO B 26 -18.920 5.645 7.510 1.00 0.00 H new ATOM 0 HD2 PRO B 26 -15.967 5.056 7.222 1.00 0.00 H new ATOM 0 HD3 PRO B 26 -17.316 4.352 6.353 1.00 0.00 H new ATOM 1281 N ASP B 27 -14.776 8.009 6.626 1.00 0.00 N ATOM 1282 CA ASP B 27 -13.537 8.782 6.696 1.00 0.00 C ATOM 1283 C ASP B 27 -12.420 8.101 5.919 1.00 0.00 C ATOM 1284 O ASP B 27 -12.228 6.889 6.015 1.00 0.00 O ATOM 1285 CB ASP B 27 -13.114 8.972 8.154 1.00 0.00 C ATOM 1286 CG ASP B 27 -14.124 9.777 8.949 1.00 0.00 C ATOM 1287 OD1 ASP B 27 -14.122 11.019 8.825 1.00 0.00 O ATOM 1288 OD2 ASP B 27 -14.918 9.163 9.693 1.00 0.00 O ATOM 0 H ASP B 27 -14.660 7.012 6.807 1.00 0.00 H new ATOM 0 HA ASP B 27 -13.724 9.757 6.245 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -12.982 7.996 8.621 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -12.147 9.474 8.186 1.00 0.00 H new ATOM 1293 N LEU B 28 -11.680 8.894 5.152 1.00 0.00 N ATOM 1294 CA LEU B 28 -10.573 8.376 4.361 1.00 0.00 C ATOM 1295 C LEU B 28 -9.350 8.150 5.247 1.00 0.00 C ATOM 1296 O LEU B 28 -8.666 7.133 5.133 1.00 0.00 O ATOM 1297 CB LEU B 28 -10.234 9.344 3.223 1.00 0.00 C ATOM 1298 CG LEU B 28 -11.184 9.290 2.024 1.00 0.00 C ATOM 1299 CD1 LEU B 28 -12.596 9.676 2.440 1.00 0.00 C ATOM 1300 CD2 LEU B 28 -10.685 10.198 0.910 1.00 0.00 C ATOM 0 H LEU B 28 -11.828 9.899 5.062 1.00 0.00 H new ATOM 0 HA LEU B 28 -10.871 7.421 3.928 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -10.230 10.360 3.619 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -9.222 9.133 2.876 1.00 0.00 H new ATOM 0 HG LEU B 28 -11.208 8.267 1.649 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -13.256 9.631 1.573 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -12.952 8.984 3.203 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -12.593 10.689 2.842 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -11.372 10.148 0.065 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -10.631 11.224 1.274 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -9.694 9.873 0.592 1.00 0.00 H new ATOM 1312 N VAL B 29 -9.086 9.107 6.134 1.00 0.00 N ATOM 1313 CA VAL B 29 -7.951 9.013 7.044 1.00 0.00 C ATOM 1314 C VAL B 29 -8.071 7.779 7.935 1.00 0.00 C ATOM 1315 O VAL B 29 -7.076 7.121 8.237 1.00 0.00 O ATOM 1316 CB VAL B 29 -7.829 10.276 7.928 1.00 0.00 C ATOM 1317 CG1 VAL B 29 -9.051 10.434 8.822 1.00 0.00 C ATOM 1318 CG2 VAL B 29 -6.553 10.233 8.760 1.00 0.00 C ATOM 0 H VAL B 29 -9.643 9.955 6.240 1.00 0.00 H new ATOM 0 HA VAL B 29 -7.053 8.929 6.432 1.00 0.00 H new ATOM 0 HB VAL B 29 -7.777 11.144 7.270 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -8.941 11.329 9.434 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -9.945 10.524 8.204 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -9.144 9.562 9.469 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -6.488 11.131 9.374 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -6.568 9.354 9.404 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -5.689 10.183 8.098 1.00 0.00 H new ATOM 1328 N GLU B 30 -9.298 7.471 8.350 1.00 0.00 N ATOM 1329 CA GLU B 30 -9.548 6.315 9.204 1.00 0.00 C ATOM 1330 C GLU B 30 -9.439 5.021 8.403 1.00 0.00 C ATOM 1331 O GLU B 30 -8.800 4.064 8.834 1.00 0.00 O ATOM 1332 CB GLU B 30 -10.932 6.419 9.852 1.00 0.00 C ATOM 1333 CG GLU B 30 -11.092 5.540 11.081 1.00 0.00 C ATOM 1334 CD GLU B 30 -12.522 5.493 11.583 1.00 0.00 C ATOM 1335 OE1 GLU B 30 -13.424 5.184 10.776 1.00 0.00 O ATOM 1336 OE2 GLU B 30 -12.739 5.763 12.784 1.00 0.00 O ATOM 0 H GLU B 30 -10.132 8.006 8.109 1.00 0.00 H new ATOM 0 HA GLU B 30 -8.793 6.301 9.990 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -11.117 7.456 10.130 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -11.690 6.145 9.118 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -10.760 4.529 10.845 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -10.444 5.911 11.875 1.00 0.00 H new ATOM 1343 N PHE B 31 -10.063 5.000 7.233 1.00 0.00 N ATOM 1344 CA PHE B 31 -10.028 3.823 6.373 1.00 0.00 C ATOM 1345 C PHE B 31 -8.614 3.565 5.855 1.00 0.00 C ATOM 1346 O PHE B 31 -8.260 2.433 5.528 1.00 0.00 O ATOM 1347 CB PHE B 31 -10.992 4.004 5.202 1.00 0.00 C ATOM 1348 CG PHE B 31 -11.113 2.787 4.327 1.00 0.00 C ATOM 1349 CD1 PHE B 31 -11.594 1.595 4.845 1.00 0.00 C ATOM 1350 CD2 PHE B 31 -10.750 2.834 2.990 1.00 0.00 C ATOM 1351 CE1 PHE B 31 -11.712 0.473 4.048 1.00 0.00 C ATOM 1352 CE2 PHE B 31 -10.865 1.714 2.187 1.00 0.00 C ATOM 1353 CZ PHE B 31 -11.346 0.533 2.717 1.00 0.00 C ATOM 0 H PHE B 31 -10.599 5.783 6.857 1.00 0.00 H new ATOM 0 HA PHE B 31 -10.337 2.959 6.962 1.00 0.00 H new ATOM 0 HB2 PHE B 31 -11.977 4.261 5.590 1.00 0.00 H new ATOM 0 HB3 PHE B 31 -10.659 4.846 4.595 1.00 0.00 H new ATOM 0 HD1 PHE B 31 -11.880 1.543 5.885 1.00 0.00 H new ATOM 0 HD2 PHE B 31 -10.373 3.755 2.571 1.00 0.00 H new ATOM 0 HE1 PHE B 31 -12.090 -0.449 4.464 1.00 0.00 H new ATOM 0 HE2 PHE B 31 -10.579 1.763 1.147 1.00 0.00 H new ATOM 0 HZ PHE B 31 -11.436 -0.343 2.092 1.00 0.00 H new ATOM 1363 N ALA B 32 -7.813 4.625 5.777 1.00 0.00 N ATOM 1364 CA ALA B 32 -6.439 4.520 5.291 1.00 0.00 C ATOM 1365 C ALA B 32 -5.497 3.954 6.349 1.00 0.00 C ATOM 1366 O ALA B 32 -4.686 3.075 6.059 1.00 0.00 O ATOM 1367 CB ALA B 32 -5.950 5.880 4.823 1.00 0.00 C ATOM 0 H ALA B 32 -8.092 5.569 6.045 1.00 0.00 H new ATOM 0 HA ALA B 32 -6.438 3.824 4.452 1.00 0.00 H new ATOM 0 HB1 ALA B 32 -4.925 5.794 4.462 1.00 0.00 H new ATOM 0 HB2 ALA B 32 -6.590 6.239 4.017 1.00 0.00 H new ATOM 0 HB3 ALA B 32 -5.984 6.585 5.654 1.00 0.00 H new ATOM 1373 N VAL B 33 -5.592 4.466 7.570 1.00 0.00 N ATOM 1374 CA VAL B 33 -4.728 4.005 8.650 1.00 0.00 C ATOM 1375 C VAL B 33 -4.909 2.507 8.902 1.00 0.00 C ATOM 1376 O VAL B 33 -3.969 1.814 9.288 1.00 0.00 O ATOM 1377 CB VAL B 33 -4.967 4.804 9.957 1.00 0.00 C ATOM 1378 CG1 VAL B 33 -6.138 4.241 10.756 1.00 0.00 C ATOM 1379 CG2 VAL B 33 -3.700 4.835 10.803 1.00 0.00 C ATOM 0 H VAL B 33 -6.254 5.195 7.836 1.00 0.00 H new ATOM 0 HA VAL B 33 -3.700 4.180 8.333 1.00 0.00 H new ATOM 0 HB VAL B 33 -5.225 5.826 9.678 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -6.274 4.827 11.665 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -7.046 4.289 10.154 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -5.933 3.204 11.021 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -3.886 5.400 11.716 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -3.409 3.816 11.059 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -2.898 5.311 10.239 1.00 0.00 H new ATOM 1389 N GLU B 34 -6.127 2.018 8.674 1.00 0.00 N ATOM 1390 CA GLU B 34 -6.443 0.603 8.870 1.00 0.00 C ATOM 1391 C GLU B 34 -5.933 -0.243 7.703 1.00 0.00 C ATOM 1392 O GLU B 34 -5.359 -1.314 7.902 1.00 0.00 O ATOM 1393 CB GLU B 34 -7.956 0.417 9.021 1.00 0.00 C ATOM 1394 CG GLU B 34 -8.526 1.063 10.274 1.00 0.00 C ATOM 1395 CD GLU B 34 -10.009 0.798 10.444 1.00 0.00 C ATOM 1396 OE1 GLU B 34 -10.417 -0.379 10.341 1.00 0.00 O ATOM 1397 OE2 GLU B 34 -10.761 1.765 10.681 1.00 0.00 O ATOM 0 H GLU B 34 -6.914 2.582 8.352 1.00 0.00 H new ATOM 0 HA GLU B 34 -5.944 0.270 9.780 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -8.454 0.836 8.147 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -8.183 -0.649 9.036 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -7.991 0.688 11.147 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -8.355 2.139 10.233 1.00 0.00 H new ATOM 1404 N TYR B 35 -6.153 0.246 6.486 1.00 0.00 N ATOM 1405 CA TYR B 35 -5.726 -0.458 5.279 1.00 0.00 C ATOM 1406 C TYR B 35 -4.215 -0.673 5.269 1.00 0.00 C ATOM 1407 O TYR B 35 -3.746 -1.806 5.160 1.00 0.00 O ATOM 1408 CB TYR B 35 -6.147 0.331 4.035 1.00 0.00 C ATOM 1409 CG TYR B 35 -5.706 -0.292 2.723 1.00 0.00 C ATOM 1410 CD1 TYR B 35 -4.389 -0.186 2.289 1.00 0.00 C ATOM 1411 CD2 TYR B 35 -6.607 -0.978 1.914 1.00 0.00 C ATOM 1412 CE1 TYR B 35 -3.983 -0.745 1.092 1.00 0.00 C ATOM 1413 CE2 TYR B 35 -6.206 -1.539 0.715 1.00 0.00 C ATOM 1414 CZ TYR B 35 -4.895 -1.420 0.310 1.00 0.00 C ATOM 1415 OH TYR B 35 -4.494 -1.978 -0.882 1.00 0.00 O ATOM 0 H TYR B 35 -6.627 1.132 6.308 1.00 0.00 H new ATOM 0 HA TYR B 35 -6.209 -1.435 5.270 1.00 0.00 H new ATOM 0 HB2 TYR B 35 -7.233 0.429 4.031 1.00 0.00 H new ATOM 0 HB3 TYR B 35 -5.737 1.339 4.102 1.00 0.00 H new ATOM 0 HD1 TYR B 35 -3.671 0.343 2.898 1.00 0.00 H new ATOM 0 HD2 TYR B 35 -7.636 -1.074 2.228 1.00 0.00 H new ATOM 0 HE1 TYR B 35 -2.956 -0.653 0.771 1.00 0.00 H new ATOM 0 HE2 TYR B 35 -6.918 -2.068 0.099 1.00 0.00 H new ATOM 0 HH TYR B 35 -5.258 -2.418 -1.310 1.00 0.00 H new ATOM 1425 N PHE B 36 -3.455 0.411 5.367 1.00 0.00 N ATOM 1426 CA PHE B 36 -2.000 0.317 5.350 1.00 0.00 C ATOM 1427 C PHE B 36 -1.483 -0.554 6.495 1.00 0.00 C ATOM 1428 O PHE B 36 -0.615 -1.402 6.291 1.00 0.00 O ATOM 1429 CB PHE B 36 -1.379 1.717 5.401 1.00 0.00 C ATOM 1430 CG PHE B 36 -1.359 2.398 4.057 1.00 0.00 C ATOM 1431 CD1 PHE B 36 -0.458 1.999 3.083 1.00 0.00 C ATOM 1432 CD2 PHE B 36 -2.244 3.426 3.764 1.00 0.00 C ATOM 1433 CE1 PHE B 36 -0.436 2.611 1.845 1.00 0.00 C ATOM 1434 CE2 PHE B 36 -2.227 4.041 2.526 1.00 0.00 C ATOM 1435 CZ PHE B 36 -1.322 3.633 1.565 1.00 0.00 C ATOM 0 H PHE B 36 -3.819 1.360 5.459 1.00 0.00 H new ATOM 0 HA PHE B 36 -1.701 -0.162 4.418 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -1.938 2.332 6.106 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -0.360 1.644 5.781 1.00 0.00 H new ATOM 0 HD1 PHE B 36 0.236 1.199 3.295 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -2.954 3.749 4.511 1.00 0.00 H new ATOM 0 HE1 PHE B 36 0.273 2.291 1.096 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -2.921 4.840 2.310 1.00 0.00 H new ATOM 0 HZ PHE B 36 -1.307 4.112 0.597 1.00 0.00 H new ATOM 1445 N THR B 37 -2.023 -0.354 7.693 1.00 0.00 N ATOM 1446 CA THR B 37 -1.607 -1.143 8.849 1.00 0.00 C ATOM 1447 C THR B 37 -1.889 -2.624 8.608 1.00 0.00 C ATOM 1448 O THR B 37 -1.061 -3.484 8.908 1.00 0.00 O ATOM 1449 CB THR B 37 -2.323 -0.669 10.116 1.00 0.00 C ATOM 1450 OG1 THR B 37 -3.720 -0.580 9.899 1.00 0.00 O ATOM 1451 CG2 THR B 37 -1.846 0.683 10.603 1.00 0.00 C ATOM 0 H THR B 37 -2.743 0.341 7.889 1.00 0.00 H new ATOM 0 HA THR B 37 -0.535 -1.006 8.988 1.00 0.00 H new ATOM 0 HB THR B 37 -2.088 -1.414 10.876 1.00 0.00 H new ATOM 0 HG1 THR B 37 -3.950 0.329 9.615 1.00 0.00 H new ATOM 0 HG21 THR B 37 -2.394 0.959 11.504 1.00 0.00 H new ATOM 0 HG22 THR B 37 -0.780 0.634 10.827 1.00 0.00 H new ATOM 0 HG23 THR B 37 -2.020 1.431 9.829 1.00 0.00 H new ATOM 1459 N ARG B 38 -3.064 -2.910 8.051 1.00 0.00 N ATOM 1460 CA ARG B 38 -3.454 -4.285 7.753 1.00 0.00 C ATOM 1461 C ARG B 38 -2.416 -4.938 6.844 1.00 0.00 C ATOM 1462 O ARG B 38 -2.042 -6.094 7.040 1.00 0.00 O ATOM 1463 CB ARG B 38 -4.841 -4.320 7.095 1.00 0.00 C ATOM 1464 CG ARG B 38 -5.994 -4.186 8.086 1.00 0.00 C ATOM 1465 CD ARG B 38 -6.349 -5.521 8.732 1.00 0.00 C ATOM 1466 NE ARG B 38 -7.127 -6.374 7.836 1.00 0.00 N ATOM 1467 CZ ARG B 38 -8.404 -6.159 7.524 1.00 0.00 C ATOM 1468 NH1 ARG B 38 -9.055 -5.118 8.031 1.00 0.00 N ATOM 1469 NH2 ARG B 38 -9.033 -6.987 6.702 1.00 0.00 N ATOM 0 H ARG B 38 -3.761 -2.209 7.798 1.00 0.00 H new ATOM 0 HA ARG B 38 -3.504 -4.845 8.687 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -4.907 -3.514 6.364 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -4.950 -5.257 6.548 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -5.725 -3.468 8.861 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -6.869 -3.787 7.573 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -5.434 -6.038 9.021 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -6.916 -5.342 9.645 1.00 0.00 H new ATOM 0 HE ARG B 38 -6.664 -7.184 7.424 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -8.577 -4.477 8.664 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -10.033 -4.960 7.787 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -8.539 -7.788 6.309 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -10.011 -6.823 6.463 1.00 0.00 H new ATOM 1483 N LEU B 39 -1.956 -4.186 5.851 1.00 0.00 N ATOM 1484 CA LEU B 39 -0.960 -4.685 4.910 1.00 0.00 C ATOM 1485 C LEU B 39 0.328 -5.060 5.640 1.00 0.00 C ATOM 1486 O LEU B 39 0.839 -6.170 5.489 1.00 0.00 O ATOM 1487 CB LEU B 39 -0.676 -3.637 3.824 1.00 0.00 C ATOM 1488 CG LEU B 39 -0.303 -4.205 2.452 1.00 0.00 C ATOM 1489 CD1 LEU B 39 -0.157 -3.084 1.433 1.00 0.00 C ATOM 1490 CD2 LEU B 39 0.980 -5.020 2.542 1.00 0.00 C ATOM 0 H LEU B 39 -2.257 -3.227 5.676 1.00 0.00 H new ATOM 0 HA LEU B 39 -1.357 -5.580 4.432 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -1.558 -3.006 3.711 1.00 0.00 H new ATOM 0 HB3 LEU B 39 0.135 -2.993 4.166 1.00 0.00 H new ATOM 0 HG LEU B 39 -1.105 -4.865 2.122 1.00 0.00 H new ATOM 0 HD11 LEU B 39 0.108 -3.506 0.464 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -1.100 -2.544 1.348 1.00 0.00 H new ATOM 0 HD13 LEU B 39 0.626 -2.398 1.757 1.00 0.00 H new ATOM 0 HD21 LEU B 39 1.229 -5.416 1.557 1.00 0.00 H new ATOM 0 HD22 LEU B 39 1.792 -4.383 2.893 1.00 0.00 H new ATOM 0 HD23 LEU B 39 0.839 -5.845 3.240 1.00 0.00 H new ATOM 1502 N ARG B 40 0.843 -4.128 6.435 1.00 0.00 N ATOM 1503 CA ARG B 40 2.066 -4.355 7.193 1.00 0.00 C ATOM 1504 C ARG B 40 1.917 -5.548 8.133 1.00 0.00 C ATOM 1505 O ARG B 40 2.793 -6.411 8.200 1.00 0.00 O ATOM 1506 CB ARG B 40 2.419 -3.103 7.991 1.00 0.00 C ATOM 1507 CG ARG B 40 3.790 -3.165 8.665 1.00 0.00 C ATOM 1508 CD ARG B 40 4.509 -1.817 8.644 1.00 0.00 C ATOM 1509 NE ARG B 40 5.563 -1.777 7.634 1.00 0.00 N ATOM 1510 CZ ARG B 40 6.648 -2.549 7.661 1.00 0.00 C ATOM 1511 NH1 ARG B 40 6.831 -3.410 8.654 1.00 0.00 N ATOM 1512 NH2 ARG B 40 7.551 -2.460 6.694 1.00 0.00 N ATOM 0 H ARG B 40 0.430 -3.205 6.571 1.00 0.00 H new ATOM 0 HA ARG B 40 2.869 -4.576 6.490 1.00 0.00 H new ATOM 0 HB2 ARG B 40 2.391 -2.240 7.326 1.00 0.00 H new ATOM 0 HB3 ARG B 40 1.657 -2.943 8.754 1.00 0.00 H new ATOM 0 HG2 ARG B 40 3.670 -3.494 9.697 1.00 0.00 H new ATOM 0 HG3 ARG B 40 4.406 -3.911 8.162 1.00 0.00 H new ATOM 0 HD2 ARG B 40 3.788 -1.024 8.447 1.00 0.00 H new ATOM 0 HD3 ARG B 40 4.939 -1.620 9.626 1.00 0.00 H new ATOM 0 HE ARG B 40 5.462 -1.118 6.862 1.00 0.00 H new ATOM 0 HH11 ARG B 40 6.139 -3.482 9.400 1.00 0.00 H new ATOM 0 HH12 ARG B 40 7.663 -3.999 8.671 1.00 0.00 H new ATOM 0 HH21 ARG B 40 7.415 -1.800 5.928 1.00 0.00 H new ATOM 0 HH22 ARG B 40 8.382 -3.052 6.716 1.00 0.00 H new ATOM 1754 N GLU C 591 -13.767 -3.792 -13.808 1.00 0.00 N ATOM 1755 CA GLU C 591 -13.511 -2.776 -14.839 1.00 0.00 C ATOM 1756 C GLU C 591 -13.667 -1.320 -14.368 1.00 0.00 C ATOM 1757 O GLU C 591 -12.675 -0.642 -14.100 1.00 0.00 O ATOM 1758 CB GLU C 591 -14.425 -3.031 -16.043 1.00 0.00 C ATOM 1759 CG GLU C 591 -14.033 -4.257 -16.853 1.00 0.00 C ATOM 1760 CD GLU C 591 -15.067 -4.620 -17.900 1.00 0.00 C ATOM 1761 OE1 GLU C 591 -16.057 -5.297 -17.549 1.00 0.00 O ATOM 1762 OE2 GLU C 591 -14.887 -4.228 -19.072 1.00 0.00 O ATOM 0 HA GLU C 591 -12.460 -2.883 -15.107 1.00 0.00 H new ATOM 0 HB2 GLU C 591 -15.450 -3.150 -15.692 1.00 0.00 H new ATOM 0 HB3 GLU C 591 -14.410 -2.156 -16.693 1.00 0.00 H new ATOM 0 HG2 GLU C 591 -13.076 -4.074 -17.341 1.00 0.00 H new ATOM 0 HG3 GLU C 591 -13.891 -5.102 -16.180 1.00 0.00 H new ATOM 1769 N GLU C 592 -14.908 -0.828 -14.321 1.00 0.00 N ATOM 1770 CA GLU C 592 -15.200 0.559 -13.945 1.00 0.00 C ATOM 1771 C GLU C 592 -14.478 1.029 -12.683 1.00 0.00 C ATOM 1772 O GLU C 592 -14.087 2.193 -12.588 1.00 0.00 O ATOM 1773 CB GLU C 592 -16.709 0.738 -13.769 1.00 0.00 C ATOM 1774 CG GLU C 592 -17.497 0.560 -15.057 1.00 0.00 C ATOM 1775 CD GLU C 592 -18.940 1.007 -14.926 1.00 0.00 C ATOM 1776 OE1 GLU C 592 -19.218 2.197 -15.187 1.00 0.00 O ATOM 1777 OE2 GLU C 592 -19.791 0.168 -14.563 1.00 0.00 O ATOM 0 H GLU C 592 -15.738 -1.378 -14.542 1.00 0.00 H new ATOM 0 HA GLU C 592 -14.825 1.179 -14.759 1.00 0.00 H new ATOM 0 HB2 GLU C 592 -17.068 0.021 -13.031 1.00 0.00 H new ATOM 0 HB3 GLU C 592 -16.904 1.733 -13.368 1.00 0.00 H new ATOM 0 HG2 GLU C 592 -17.016 1.127 -15.854 1.00 0.00 H new ATOM 0 HG3 GLU C 592 -17.471 -0.489 -15.352 1.00 0.00 H new ATOM 1784 N ILE C 593 -14.303 0.138 -11.717 1.00 0.00 N ATOM 1785 CA ILE C 593 -13.627 0.500 -10.474 1.00 0.00 C ATOM 1786 C ILE C 593 -12.135 0.692 -10.707 1.00 0.00 C ATOM 1787 O ILE C 593 -11.482 1.458 -9.997 1.00 0.00 O ATOM 1788 CB ILE C 593 -13.849 -0.550 -9.359 1.00 0.00 C ATOM 1789 CG1 ILE C 593 -15.323 -0.567 -8.925 1.00 0.00 C ATOM 1790 CG2 ILE C 593 -12.946 -0.274 -8.158 1.00 0.00 C ATOM 1791 CD1 ILE C 593 -15.753 0.646 -8.120 1.00 0.00 C ATOM 0 H ILE C 593 -14.615 -0.832 -11.766 1.00 0.00 H new ATOM 0 HA ILE C 593 -14.066 1.440 -10.141 1.00 0.00 H new ATOM 0 HB ILE C 593 -13.590 -1.529 -9.761 1.00 0.00 H new ATOM 0 HG12 ILE C 593 -15.950 -0.639 -9.814 1.00 0.00 H new ATOM 0 HG13 ILE C 593 -15.505 -1.464 -8.333 1.00 0.00 H new ATOM 0 HG21 ILE C 593 -13.123 -1.027 -7.390 1.00 0.00 H new ATOM 0 HG22 ILE C 593 -11.903 -0.313 -8.471 1.00 0.00 H new ATOM 0 HG23 ILE C 593 -13.168 0.714 -7.756 1.00 0.00 H new ATOM 0 HD11 ILE C 593 -16.806 0.552 -7.855 1.00 0.00 H new ATOM 0 HD12 ILE C 593 -15.155 0.710 -7.211 1.00 0.00 H new ATOM 0 HD13 ILE C 593 -15.607 1.548 -8.715 1.00 0.00 H new ATOM 1803 N TRP C 594 -11.593 0.003 -11.709 1.00 0.00 N ATOM 1804 CA TRP C 594 -10.176 0.112 -12.030 1.00 0.00 C ATOM 1805 C TRP C 594 -9.874 1.362 -12.838 1.00 0.00 C ATOM 1806 O TRP C 594 -8.956 2.112 -12.511 1.00 0.00 O ATOM 1807 CB TRP C 594 -9.691 -1.114 -12.798 1.00 0.00 C ATOM 1808 CG TRP C 594 -8.209 -1.104 -12.997 1.00 0.00 C ATOM 1809 CD1 TRP C 594 -7.534 -0.965 -14.175 1.00 0.00 C ATOM 1810 CD2 TRP C 594 -7.219 -1.222 -11.976 1.00 0.00 C ATOM 1811 NE1 TRP C 594 -6.179 -0.989 -13.943 1.00 0.00 N ATOM 1812 CE2 TRP C 594 -5.962 -1.151 -12.600 1.00 0.00 C ATOM 1813 CE3 TRP C 594 -7.279 -1.383 -10.593 1.00 0.00 C ATOM 1814 CZ2 TRP C 594 -4.774 -1.236 -11.881 1.00 0.00 C ATOM 1815 CZ3 TRP C 594 -6.103 -1.467 -9.883 1.00 0.00 C ATOM 1816 CH2 TRP C 594 -4.867 -1.395 -10.524 1.00 0.00 C ATOM 0 H TRP C 594 -12.114 -0.635 -12.310 1.00 0.00 H new ATOM 0 HA TRP C 594 -9.645 0.176 -11.080 1.00 0.00 H new ATOM 0 HB2 TRP C 594 -9.978 -2.016 -12.258 1.00 0.00 H new ATOM 0 HB3 TRP C 594 -10.186 -1.153 -13.768 1.00 0.00 H new ATOM 0 HD1 TRP C 594 -7.995 -0.853 -15.145 1.00 0.00 H new ATOM 0 HE1 TRP C 594 -5.454 -0.901 -14.655 1.00 0.00 H new ATOM 0 HE3 TRP C 594 -8.232 -1.441 -10.087 1.00 0.00 H new ATOM 0 HZ2 TRP C 594 -3.815 -1.179 -12.374 1.00 0.00 H new ATOM 0 HZ3 TRP C 594 -6.138 -1.591 -8.811 1.00 0.00 H new ATOM 0 HH2 TRP C 594 -3.963 -1.466 -9.937 1.00 0.00 H new ATOM 1827 N LYS C 595 -10.647 1.588 -13.888 1.00 0.00 N ATOM 1828 CA LYS C 595 -10.446 2.760 -14.725 1.00 0.00 C ATOM 1829 C LYS C 595 -10.485 4.022 -13.870 1.00 0.00 C ATOM 1830 O LYS C 595 -9.658 4.919 -14.032 1.00 0.00 O ATOM 1831 CB LYS C 595 -11.518 2.822 -15.827 1.00 0.00 C ATOM 1832 CG LYS C 595 -11.077 2.192 -17.147 1.00 0.00 C ATOM 1833 CD LYS C 595 -12.267 1.824 -18.038 1.00 0.00 C ATOM 1834 CE LYS C 595 -12.626 0.349 -17.924 1.00 0.00 C ATOM 1835 NZ LYS C 595 -11.657 -0.514 -18.654 1.00 0.00 N ATOM 0 H LYS C 595 -11.413 0.981 -14.179 1.00 0.00 H new ATOM 0 HA LYS C 595 -9.469 2.690 -15.202 1.00 0.00 H new ATOM 0 HB2 LYS C 595 -12.418 2.317 -15.476 1.00 0.00 H new ATOM 0 HB3 LYS C 595 -11.786 3.864 -16.003 1.00 0.00 H new ATOM 0 HG2 LYS C 595 -10.427 2.886 -17.680 1.00 0.00 H new ATOM 0 HG3 LYS C 595 -10.488 1.298 -16.942 1.00 0.00 H new ATOM 0 HD2 LYS C 595 -13.129 2.430 -17.761 1.00 0.00 H new ATOM 0 HD3 LYS C 595 -12.031 2.061 -19.075 1.00 0.00 H new ATOM 0 HE2 LYS C 595 -12.649 0.061 -16.873 1.00 0.00 H new ATOM 0 HE3 LYS C 595 -13.628 0.187 -18.321 1.00 0.00 H new ATOM 0 HZ1 LYS C 595 -11.990 -1.499 -18.639 1.00 0.00 H new ATOM 0 HZ2 LYS C 595 -11.577 -0.190 -19.639 1.00 0.00 H new ATOM 0 HZ3 LYS C 595 -10.726 -0.456 -18.194 1.00 0.00 H new ATOM 1849 N LYS C 596 -11.466 4.096 -12.980 1.00 0.00 N ATOM 1850 CA LYS C 596 -11.628 5.264 -12.123 1.00 0.00 C ATOM 1851 C LYS C 596 -10.488 5.415 -11.116 1.00 0.00 C ATOM 1852 O LYS C 596 -9.808 6.441 -11.103 1.00 0.00 O ATOM 1853 CB LYS C 596 -12.975 5.187 -11.387 1.00 0.00 C ATOM 1854 CG LYS C 596 -14.154 5.739 -12.191 1.00 0.00 C ATOM 1855 CD LYS C 596 -14.386 7.221 -11.912 1.00 0.00 C ATOM 1856 CE LYS C 596 -15.280 7.866 -12.965 1.00 0.00 C ATOM 1857 NZ LYS C 596 -14.486 8.465 -14.073 1.00 0.00 N ATOM 0 H LYS C 596 -12.160 3.363 -12.833 1.00 0.00 H new ATOM 0 HA LYS C 596 -11.605 6.144 -12.766 1.00 0.00 H new ATOM 0 HB2 LYS C 596 -13.178 4.147 -11.130 1.00 0.00 H new ATOM 0 HB3 LYS C 596 -12.898 5.738 -10.450 1.00 0.00 H new ATOM 0 HG2 LYS C 596 -13.968 5.594 -13.255 1.00 0.00 H new ATOM 0 HG3 LYS C 596 -15.056 5.178 -11.946 1.00 0.00 H new ATOM 0 HD2 LYS C 596 -14.841 7.338 -10.929 1.00 0.00 H new ATOM 0 HD3 LYS C 596 -13.427 7.739 -11.883 1.00 0.00 H new ATOM 0 HE2 LYS C 596 -15.962 7.119 -13.370 1.00 0.00 H new ATOM 0 HE3 LYS C 596 -15.893 8.637 -12.499 1.00 0.00 H new ATOM 0 HZ1 LYS C 596 -15.129 8.894 -14.769 1.00 0.00 H new ATOM 0 HZ2 LYS C 596 -13.853 9.196 -13.691 1.00 0.00 H new ATOM 0 HZ3 LYS C 596 -13.921 7.724 -14.535 1.00 0.00 H new ATOM 1871 N ALA C 597 -10.283 4.413 -10.255 1.00 0.00 N ATOM 1872 CA ALA C 597 -9.233 4.473 -9.240 1.00 0.00 C ATOM 1873 C ALA C 597 -7.885 4.894 -9.828 1.00 0.00 C ATOM 1874 O ALA C 597 -7.126 5.629 -9.196 1.00 0.00 O ATOM 1875 CB ALA C 597 -9.104 3.120 -8.553 1.00 0.00 C ATOM 0 H ALA C 597 -10.831 3.553 -10.243 1.00 0.00 H new ATOM 0 HA ALA C 597 -9.520 5.232 -8.512 1.00 0.00 H new ATOM 0 HB1 ALA C 597 -8.320 3.169 -7.797 1.00 0.00 H new ATOM 0 HB2 ALA C 597 -10.050 2.861 -8.078 1.00 0.00 H new ATOM 0 HB3 ALA C 597 -8.849 2.360 -9.291 1.00 0.00 H new ATOM 1881 N GLU C 598 -7.589 4.420 -11.035 1.00 0.00 N ATOM 1882 CA GLU C 598 -6.328 4.746 -11.695 1.00 0.00 C ATOM 1883 C GLU C 598 -6.240 6.248 -11.972 1.00 0.00 C ATOM 1884 O GLU C 598 -5.164 6.840 -11.887 1.00 0.00 O ATOM 1885 CB GLU C 598 -6.171 3.937 -12.999 1.00 0.00 C ATOM 1886 CG GLU C 598 -4.781 3.349 -13.191 1.00 0.00 C ATOM 1887 CD GLU C 598 -4.529 2.892 -14.616 1.00 0.00 C ATOM 1888 OE1 GLU C 598 -4.468 3.756 -15.515 1.00 0.00 O ATOM 1889 OE2 GLU C 598 -4.394 1.669 -14.831 1.00 0.00 O ATOM 0 H GLU C 598 -8.203 3.810 -11.575 1.00 0.00 H new ATOM 0 HA GLU C 598 -5.510 4.474 -11.028 1.00 0.00 H new ATOM 0 HB2 GLU C 598 -6.902 3.128 -13.004 1.00 0.00 H new ATOM 0 HB3 GLU C 598 -6.403 4.582 -13.846 1.00 0.00 H new ATOM 0 HG2 GLU C 598 -4.035 4.094 -12.916 1.00 0.00 H new ATOM 0 HG3 GLU C 598 -4.652 2.504 -12.515 1.00 0.00 H new ATOM 1896 N GLU C 599 -7.376 6.860 -12.290 1.00 0.00 N ATOM 1897 CA GLU C 599 -7.420 8.294 -12.565 1.00 0.00 C ATOM 1898 C GLU C 599 -7.058 9.092 -11.313 1.00 0.00 C ATOM 1899 O GLU C 599 -6.281 10.045 -11.378 1.00 0.00 O ATOM 1900 CB GLU C 599 -8.808 8.700 -13.061 1.00 0.00 C ATOM 1901 CG GLU C 599 -8.874 10.123 -13.591 1.00 0.00 C ATOM 1902 CD GLU C 599 -10.189 10.428 -14.283 1.00 0.00 C ATOM 1903 OE1 GLU C 599 -11.250 10.212 -13.662 1.00 0.00 O ATOM 1904 OE2 GLU C 599 -10.156 10.883 -15.446 1.00 0.00 O ATOM 0 H GLU C 599 -8.277 6.388 -12.364 1.00 0.00 H new ATOM 0 HA GLU C 599 -6.690 8.515 -13.343 1.00 0.00 H new ATOM 0 HB2 GLU C 599 -9.118 8.013 -13.849 1.00 0.00 H new ATOM 0 HB3 GLU C 599 -9.522 8.592 -12.245 1.00 0.00 H new ATOM 0 HG2 GLU C 599 -8.732 10.821 -12.766 1.00 0.00 H new ATOM 0 HG3 GLU C 599 -8.054 10.285 -14.290 1.00 0.00 H new ATOM 1911 N ALA C 600 -7.629 8.706 -10.177 1.00 0.00 N ATOM 1912 CA ALA C 600 -7.369 9.396 -8.915 1.00 0.00 C ATOM 1913 C ALA C 600 -5.877 9.470 -8.601 1.00 0.00 C ATOM 1914 O ALA C 600 -5.367 10.522 -8.217 1.00 0.00 O ATOM 1915 CB ALA C 600 -8.110 8.705 -7.781 1.00 0.00 C ATOM 0 H ALA C 600 -8.275 7.920 -10.102 1.00 0.00 H new ATOM 0 HA ALA C 600 -7.733 10.418 -9.017 1.00 0.00 H new ATOM 0 HB1 ALA C 600 -7.910 9.226 -6.845 1.00 0.00 H new ATOM 0 HB2 ALA C 600 -9.181 8.720 -7.983 1.00 0.00 H new ATOM 0 HB3 ALA C 600 -7.771 7.672 -7.701 1.00 0.00 H new ATOM 1921 N VAL C 601 -5.189 8.344 -8.743 1.00 0.00 N ATOM 1922 CA VAL C 601 -3.762 8.276 -8.450 1.00 0.00 C ATOM 1923 C VAL C 601 -2.926 9.056 -9.458 1.00 0.00 C ATOM 1924 O VAL C 601 -2.001 9.773 -9.084 1.00 0.00 O ATOM 1925 CB VAL C 601 -3.273 6.817 -8.396 1.00 0.00 C ATOM 1926 CG1 VAL C 601 -1.823 6.756 -7.939 1.00 0.00 C ATOM 1927 CG2 VAL C 601 -4.180 6.001 -7.477 1.00 0.00 C ATOM 0 H VAL C 601 -5.596 7.464 -9.060 1.00 0.00 H new ATOM 0 HA VAL C 601 -3.629 8.737 -7.471 1.00 0.00 H new ATOM 0 HB VAL C 601 -3.321 6.386 -9.396 1.00 0.00 H new ATOM 0 HG11 VAL C 601 -1.495 5.717 -7.907 1.00 0.00 H new ATOM 0 HG12 VAL C 601 -1.198 7.313 -8.637 1.00 0.00 H new ATOM 0 HG13 VAL C 601 -1.736 7.195 -6.945 1.00 0.00 H new ATOM 0 HG21 VAL C 601 -3.830 4.969 -7.442 1.00 0.00 H new ATOM 0 HG22 VAL C 601 -4.158 6.426 -6.473 1.00 0.00 H new ATOM 0 HG23 VAL C 601 -5.201 6.025 -7.859 1.00 0.00 H new ATOM 1937 N ASN C 602 -3.261 8.924 -10.735 1.00 0.00 N ATOM 1938 CA ASN C 602 -2.537 9.634 -11.783 1.00 0.00 C ATOM 1939 C ASN C 602 -2.752 11.137 -11.646 1.00 0.00 C ATOM 1940 O ASN C 602 -1.832 11.928 -11.860 1.00 0.00 O ATOM 1941 CB ASN C 602 -2.997 9.160 -13.164 1.00 0.00 C ATOM 1942 CG ASN C 602 -2.572 7.732 -13.456 1.00 0.00 C ATOM 1943 OD1 ASN C 602 -2.799 6.828 -12.652 1.00 0.00 O ATOM 1944 ND2 ASN C 602 -1.947 7.521 -14.611 1.00 0.00 N ATOM 0 H ASN C 602 -4.024 8.336 -11.069 1.00 0.00 H new ATOM 0 HA ASN C 602 -1.474 9.419 -11.677 1.00 0.00 H new ATOM 0 HB2 ASN C 602 -4.083 9.233 -13.228 1.00 0.00 H new ATOM 0 HB3 ASN C 602 -2.588 9.822 -13.927 1.00 0.00 H new ATOM 0 HD21 ASN C 602 -1.636 6.582 -14.858 1.00 0.00 H new ATOM 0 HD22 ASN C 602 -1.779 8.299 -15.249 1.00 0.00 H new ATOM 1951 N GLU C 603 -3.967 11.524 -11.282 1.00 0.00 N ATOM 1952 CA GLU C 603 -4.301 12.933 -11.109 1.00 0.00 C ATOM 1953 C GLU C 603 -3.591 13.519 -9.893 1.00 0.00 C ATOM 1954 O GLU C 603 -2.858 14.500 -10.015 1.00 0.00 O ATOM 1955 CB GLU C 603 -5.819 13.102 -10.971 1.00 0.00 C ATOM 1956 CG GLU C 603 -6.574 12.922 -12.280 1.00 0.00 C ATOM 1957 CD GLU C 603 -6.483 14.137 -13.183 1.00 0.00 C ATOM 1958 OE1 GLU C 603 -5.567 14.961 -12.980 1.00 0.00 O ATOM 1959 OE2 GLU C 603 -7.330 14.265 -14.093 1.00 0.00 O ATOM 0 H GLU C 603 -4.739 10.882 -11.100 1.00 0.00 H new ATOM 0 HA GLU C 603 -3.962 13.475 -11.992 1.00 0.00 H new ATOM 0 HB2 GLU C 603 -6.192 12.380 -10.244 1.00 0.00 H new ATOM 0 HB3 GLU C 603 -6.031 14.094 -10.573 1.00 0.00 H new ATOM 0 HG2 GLU C 603 -6.178 12.054 -12.806 1.00 0.00 H new ATOM 0 HG3 GLU C 603 -7.622 12.713 -12.064 1.00 0.00 H new ATOM 1966 N VAL C 604 -3.805 12.930 -8.717 1.00 0.00 N ATOM 1967 CA VAL C 604 -3.174 13.424 -7.499 1.00 0.00 C ATOM 1968 C VAL C 604 -1.653 13.345 -7.576 1.00 0.00 C ATOM 1969 O VAL C 604 -0.945 14.122 -6.937 1.00 0.00 O ATOM 1970 CB VAL C 604 -3.666 12.672 -6.252 1.00 0.00 C ATOM 1971 CG1 VAL C 604 -3.180 11.229 -6.253 1.00 0.00 C ATOM 1972 CG2 VAL C 604 -3.211 13.399 -4.999 1.00 0.00 C ATOM 0 H VAL C 604 -4.406 12.117 -8.584 1.00 0.00 H new ATOM 0 HA VAL C 604 -3.465 14.471 -7.410 1.00 0.00 H new ATOM 0 HB VAL C 604 -4.756 12.648 -6.267 1.00 0.00 H new ATOM 0 HG11 VAL C 604 -3.543 10.722 -5.359 1.00 0.00 H new ATOM 0 HG12 VAL C 604 -3.558 10.718 -7.139 1.00 0.00 H new ATOM 0 HG13 VAL C 604 -2.090 11.212 -6.262 1.00 0.00 H new ATOM 0 HG21 VAL C 604 -3.563 12.861 -4.118 1.00 0.00 H new ATOM 0 HG22 VAL C 604 -2.122 13.449 -4.983 1.00 0.00 H new ATOM 0 HG23 VAL C 604 -3.621 14.409 -4.995 1.00 0.00 H new ATOM 1982 N LYS C 605 -1.161 12.398 -8.370 1.00 0.00 N ATOM 1983 CA LYS C 605 0.274 12.207 -8.547 1.00 0.00 C ATOM 1984 C LYS C 605 0.827 13.306 -9.438 1.00 0.00 C ATOM 1985 O LYS C 605 1.814 13.960 -9.099 1.00 0.00 O ATOM 1986 CB LYS C 605 0.549 10.827 -9.151 1.00 0.00 C ATOM 1987 CG LYS C 605 2.016 10.573 -9.481 1.00 0.00 C ATOM 1988 CD LYS C 605 2.345 9.079 -9.503 1.00 0.00 C ATOM 1989 CE LYS C 605 2.586 8.517 -8.103 1.00 0.00 C ATOM 1990 NZ LYS C 605 1.318 8.126 -7.428 1.00 0.00 N ATOM 0 H LYS C 605 -1.739 11.748 -8.903 1.00 0.00 H new ATOM 0 HA LYS C 605 0.770 12.260 -7.578 1.00 0.00 H new ATOM 0 HB2 LYS C 605 0.207 10.062 -8.454 1.00 0.00 H new ATOM 0 HB3 LYS C 605 -0.041 10.716 -10.061 1.00 0.00 H new ATOM 0 HG2 LYS C 605 2.251 11.011 -10.451 1.00 0.00 H new ATOM 0 HG3 LYS C 605 2.646 11.073 -8.745 1.00 0.00 H new ATOM 0 HD2 LYS C 605 1.526 8.536 -9.974 1.00 0.00 H new ATOM 0 HD3 LYS C 605 3.231 8.913 -10.116 1.00 0.00 H new ATOM 0 HE2 LYS C 605 3.243 7.649 -8.170 1.00 0.00 H new ATOM 0 HE3 LYS C 605 3.103 9.262 -7.498 1.00 0.00 H new ATOM 0 HZ1 LYS C 605 1.442 7.204 -6.964 1.00 0.00 H new ATOM 0 HZ2 LYS C 605 1.069 8.841 -6.715 1.00 0.00 H new ATOM 0 HZ3 LYS C 605 0.556 8.060 -8.133 1.00 0.00 H new ATOM 2004 N ARG C 606 0.163 13.529 -10.562 1.00 0.00 N ATOM 2005 CA ARG C 606 0.567 14.583 -11.480 1.00 0.00 C ATOM 2006 C ARG C 606 0.558 15.926 -10.749 1.00 0.00 C ATOM 2007 O ARG C 606 1.289 16.849 -11.109 1.00 0.00 O ATOM 2008 CB ARG C 606 -0.385 14.620 -12.684 1.00 0.00 C ATOM 2009 CG ARG C 606 -0.128 15.761 -13.664 1.00 0.00 C ATOM 2010 CD ARG C 606 1.108 15.509 -14.514 1.00 0.00 C ATOM 2011 NE ARG C 606 1.493 16.689 -15.285 1.00 0.00 N ATOM 2012 CZ ARG C 606 2.074 17.766 -14.758 1.00 0.00 C ATOM 2013 NH1 ARG C 606 2.338 17.822 -13.458 1.00 0.00 N ATOM 2014 NH2 ARG C 606 2.390 18.792 -15.535 1.00 0.00 N ATOM 0 H ARG C 606 -0.655 12.997 -10.860 1.00 0.00 H new ATOM 0 HA ARG C 606 1.576 14.384 -11.843 1.00 0.00 H new ATOM 0 HB2 ARG C 606 -0.308 13.674 -13.220 1.00 0.00 H new ATOM 0 HB3 ARG C 606 -1.409 14.697 -12.318 1.00 0.00 H new ATOM 0 HG2 ARG C 606 -0.995 15.886 -14.312 1.00 0.00 H new ATOM 0 HG3 ARG C 606 -0.006 16.693 -13.112 1.00 0.00 H new ATOM 0 HD2 ARG C 606 1.936 15.211 -13.870 1.00 0.00 H new ATOM 0 HD3 ARG C 606 0.917 14.678 -15.194 1.00 0.00 H new ATOM 0 HE ARG C 606 1.306 16.688 -16.288 1.00 0.00 H new ATOM 0 HH11 ARG C 606 2.096 17.036 -12.854 1.00 0.00 H new ATOM 0 HH12 ARG C 606 2.783 18.651 -13.063 1.00 0.00 H new ATOM 0 HH21 ARG C 606 2.188 18.756 -16.534 1.00 0.00 H new ATOM 0 HH22 ARG C 606 2.835 19.618 -15.134 1.00 0.00 H new ATOM 2028 N GLN C 607 -0.287 16.023 -9.722 1.00 0.00 N ATOM 2029 CA GLN C 607 -0.418 17.249 -8.933 1.00 0.00 C ATOM 2030 C GLN C 607 0.706 17.418 -7.898 1.00 0.00 C ATOM 2031 O GLN C 607 1.365 18.454 -7.867 1.00 0.00 O ATOM 2032 CB GLN C 607 -1.783 17.274 -8.220 1.00 0.00 C ATOM 2033 CG GLN C 607 -2.874 18.017 -8.984 1.00 0.00 C ATOM 2034 CD GLN C 607 -3.469 17.196 -10.109 1.00 0.00 C ATOM 2035 OE1 GLN C 607 -2.999 17.245 -11.246 1.00 0.00 O ATOM 2036 NE2 GLN C 607 -4.511 16.433 -9.797 1.00 0.00 N ATOM 0 H GLN C 607 -0.894 15.263 -9.416 1.00 0.00 H new ATOM 0 HA GLN C 607 -0.341 18.082 -9.632 1.00 0.00 H new ATOM 0 HB2 GLN C 607 -2.109 16.248 -8.048 1.00 0.00 H new ATOM 0 HB3 GLN C 607 -1.661 17.738 -7.241 1.00 0.00 H new ATOM 0 HG2 GLN C 607 -3.666 18.302 -8.291 1.00 0.00 H new ATOM 0 HG3 GLN C 607 -2.461 18.939 -9.393 1.00 0.00 H new ATOM 0 HE21 GLN C 607 -4.868 16.423 -8.842 1.00 0.00 H new ATOM 0 HE22 GLN C 607 -4.954 15.857 -10.513 1.00 0.00 H new ATOM 2045 N ALA C 608 0.915 16.419 -7.032 1.00 0.00 N ATOM 2046 CA ALA C 608 1.945 16.494 -5.993 1.00 0.00 C ATOM 2047 C ALA C 608 3.300 16.960 -6.525 1.00 0.00 C ATOM 2048 O ALA C 608 4.022 17.689 -5.845 1.00 0.00 O ATOM 2049 CB ALA C 608 2.096 15.140 -5.320 1.00 0.00 C ATOM 0 H ALA C 608 0.383 15.549 -7.032 1.00 0.00 H new ATOM 0 HA ALA C 608 1.613 17.242 -5.272 1.00 0.00 H new ATOM 0 HB1 ALA C 608 2.863 15.201 -4.548 1.00 0.00 H new ATOM 0 HB2 ALA C 608 1.148 14.851 -4.867 1.00 0.00 H new ATOM 0 HB3 ALA C 608 2.386 14.395 -6.061 1.00 0.00 H new ATOM 2055 N MET C 609 3.646 16.539 -7.734 1.00 0.00 N ATOM 2056 CA MET C 609 4.929 16.936 -8.316 1.00 0.00 C ATOM 2057 C MET C 609 4.922 18.423 -8.680 1.00 0.00 C ATOM 2058 O MET C 609 5.963 19.078 -8.637 1.00 0.00 O ATOM 2059 CB MET C 609 5.313 16.065 -9.518 1.00 0.00 C ATOM 2060 CG MET C 609 4.606 16.428 -10.818 1.00 0.00 C ATOM 2061 SD MET C 609 4.295 14.991 -11.872 1.00 0.00 S ATOM 2062 CE MET C 609 4.760 15.616 -13.486 1.00 0.00 C ATOM 0 H MET C 609 3.073 15.935 -8.324 1.00 0.00 H new ATOM 0 HA MET C 609 5.695 16.776 -7.558 1.00 0.00 H new ATOM 0 HB2 MET C 609 6.389 16.138 -9.673 1.00 0.00 H new ATOM 0 HB3 MET C 609 5.095 15.024 -9.280 1.00 0.00 H new ATOM 0 HG2 MET C 609 3.659 16.915 -10.587 1.00 0.00 H new ATOM 0 HG3 MET C 609 5.211 17.150 -11.366 1.00 0.00 H new ATOM 0 HE1 MET C 609 4.086 15.211 -14.241 1.00 0.00 H new ATOM 0 HE2 MET C 609 4.695 16.704 -13.487 1.00 0.00 H new ATOM 0 HE3 MET C 609 5.782 15.313 -13.713 1.00 0.00 H new ATOM 2072 N THR C 610 3.750 18.969 -8.999 1.00 0.00 N ATOM 2073 CA THR C 610 3.649 20.395 -9.313 1.00 0.00 C ATOM 2074 C THR C 610 3.944 21.190 -8.043 1.00 0.00 C ATOM 2075 O THR C 610 4.617 22.221 -8.081 1.00 0.00 O ATOM 2076 CB THR C 610 2.259 20.742 -9.865 1.00 0.00 C ATOM 2077 OG1 THR C 610 2.187 20.458 -11.250 1.00 0.00 O ATOM 2078 CG2 THR C 610 1.873 22.196 -9.676 1.00 0.00 C ATOM 0 H THR C 610 2.869 18.456 -9.047 1.00 0.00 H new ATOM 0 HA THR C 610 4.373 20.651 -10.086 1.00 0.00 H new ATOM 0 HB THR C 610 1.565 20.126 -9.293 1.00 0.00 H new ATOM 0 HG1 THR C 610 1.294 20.684 -11.584 1.00 0.00 H new ATOM 0 HG21 THR C 610 0.879 22.365 -10.090 1.00 0.00 H new ATOM 0 HG22 THR C 610 1.868 22.436 -8.613 1.00 0.00 H new ATOM 0 HG23 THR C 610 2.593 22.833 -10.189 1.00 0.00 H new ATOM 2086 N GLU C 611 3.465 20.679 -6.918 1.00 0.00 N ATOM 2087 CA GLU C 611 3.712 21.324 -5.632 1.00 0.00 C ATOM 2088 C GLU C 611 5.217 21.348 -5.356 1.00 0.00 C ATOM 2089 O GLU C 611 5.712 22.151 -4.566 1.00 0.00 O ATOM 2090 CB GLU C 611 2.973 20.588 -4.511 1.00 0.00 C ATOM 2091 CG GLU C 611 1.471 20.829 -4.512 1.00 0.00 C ATOM 2092 CD GLU C 611 1.104 22.225 -4.046 1.00 0.00 C ATOM 2093 OE1 GLU C 611 1.243 23.173 -4.847 1.00 0.00 O ATOM 2094 OE2 GLU C 611 0.677 22.368 -2.882 1.00 0.00 O ATOM 0 H GLU C 611 2.907 19.827 -6.867 1.00 0.00 H new ATOM 0 HA GLU C 611 3.338 22.347 -5.668 1.00 0.00 H new ATOM 0 HB2 GLU C 611 3.161 19.518 -4.604 1.00 0.00 H new ATOM 0 HB3 GLU C 611 3.382 20.901 -3.551 1.00 0.00 H new ATOM 0 HG2 GLU C 611 1.082 20.672 -5.518 1.00 0.00 H new ATOM 0 HG3 GLU C 611 0.989 20.096 -3.866 1.00 0.00 H new ATOM 2101 N LEU C 612 5.927 20.446 -6.035 1.00 0.00 N ATOM 2102 CA LEU C 612 7.374 20.317 -5.910 1.00 0.00 C ATOM 2103 C LEU C 612 8.083 21.312 -6.824 1.00 0.00 C ATOM 2104 O LEU C 612 9.038 21.974 -6.416 1.00 0.00 O ATOM 2105 CB LEU C 612 7.795 18.879 -6.260 1.00 0.00 C ATOM 2106 CG LEU C 612 8.297 18.038 -5.088 1.00 0.00 C ATOM 2107 CD1 LEU C 612 7.179 17.814 -4.076 1.00 0.00 C ATOM 2108 CD2 LEU C 612 8.858 16.702 -5.581 1.00 0.00 C ATOM 0 H LEU C 612 5.510 19.783 -6.689 1.00 0.00 H new ATOM 0 HA LEU C 612 7.661 20.536 -4.881 1.00 0.00 H new ATOM 0 HB2 LEU C 612 6.944 18.370 -6.712 1.00 0.00 H new ATOM 0 HB3 LEU C 612 8.579 18.922 -7.016 1.00 0.00 H new ATOM 0 HG LEU C 612 9.103 18.582 -4.595 1.00 0.00 H new ATOM 0 HD11 LEU C 612 7.553 17.213 -3.247 1.00 0.00 H new ATOM 0 HD12 LEU C 612 6.832 18.776 -3.699 1.00 0.00 H new ATOM 0 HD13 LEU C 612 6.352 17.293 -4.557 1.00 0.00 H new ATOM 0 HD21 LEU C 612 9.210 16.119 -4.730 1.00 0.00 H new ATOM 0 HD22 LEU C 612 8.076 16.149 -6.101 1.00 0.00 H new ATOM 0 HD23 LEU C 612 9.688 16.885 -6.263 1.00 0.00 H new ATOM 2120 N GLN C 613 7.608 21.415 -8.059 1.00 0.00 N ATOM 2121 CA GLN C 613 8.197 22.331 -9.028 1.00 0.00 C ATOM 2122 C GLN C 613 8.013 23.785 -8.596 1.00 0.00 C ATOM 2123 O GLN C 613 8.672 24.683 -9.120 1.00 0.00 O ATOM 2124 CB GLN C 613 7.576 22.115 -10.409 1.00 0.00 C ATOM 2125 CG GLN C 613 8.221 22.945 -11.509 1.00 0.00 C ATOM 2126 CD GLN C 613 9.727 22.777 -11.566 1.00 0.00 C ATOM 2127 OE1 GLN C 613 10.473 23.755 -11.544 1.00 0.00 O ATOM 2128 NE2 GLN C 613 10.183 21.531 -11.641 1.00 0.00 N ATOM 0 H GLN C 613 6.818 20.876 -8.413 1.00 0.00 H new ATOM 0 HA GLN C 613 9.266 22.122 -9.079 1.00 0.00 H new ATOM 0 HB2 GLN C 613 7.653 21.060 -10.671 1.00 0.00 H new ATOM 0 HB3 GLN C 613 6.514 22.355 -10.361 1.00 0.00 H new ATOM 0 HG2 GLN C 613 7.792 22.662 -12.470 1.00 0.00 H new ATOM 0 HG3 GLN C 613 7.983 23.997 -11.351 1.00 0.00 H new ATOM 0 HE21 GLN C 613 9.529 20.749 -11.657 1.00 0.00 H new ATOM 0 HE22 GLN C 613 11.187 21.357 -11.683 1.00 0.00 H new