USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 741 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 97 THR OG1 : rot 35:sc= 0.954 USER MOD Set 1.2: A 100 GLN : amide:sc= 0.448 K(o=1.4,f=-2.1) USER MOD Set 2.1: A 36 SER OG : rot 76:sc= 1.33 USER MOD Set 2.2: A 91 ASN :FLIP amide:sc= -0.0591 F(o=-0.94!,f=1.3) USER MOD Set 3.1: A 83 SER OG : rot -132:sc= -0.226 USER MOD Set 3.2: A 85 ASN : amide:sc= 0.387 X(o=0.16,f=-0.23) USER MOD Single : A 15 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0416) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : +bothHN:sc= 1.03 K(o=1,f=-6.2!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 153:sc= -0.101 (180deg=-0.732) USER MOD Single : A 37 THR OG1 : rot 58:sc= -0.322 USER MOD Single : A 39 LYS NZ :NH3+ 174:sc= 0.712 (180deg=0.527) USER MOD Single : A 43 LYS NZ :NH3+ -132:sc= -1.04 (180deg=-3.3!) USER MOD Single : A 44 TYR OH : rot 110:sc= -0.263 USER MOD Single : A 46 HIS :FLIP no HD1:sc= -0.488 F(o=-1.5,f=-0.49) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN :FLIP amide:sc= -0.0126 F(o=-1,f=-0.013) USER MOD Single : A 67 ASN : amide:sc= -1.95! C(o=-2!,f=-5!) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.372 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 136:sc= -0.0313 (180deg=-0.555) USER MOD Single : A 80 LYS NZ :NH3+ -159:sc= 1.1 (180deg=0.775) USER MOD Single : A 90 LYS NZ :NH3+ 167:sc=-0.00188 (180deg=-0.152) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN :FLIP amide:sc= -0.177 F(o=-3!,f=-0.18) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 163 N ALA A 12 11.101 0.344 -0.669 1.00 0.00 N ATOM 164 CA ALA A 12 9.935 0.239 -1.535 1.00 0.00 C ATOM 165 C ALA A 12 8.709 0.854 -0.872 1.00 0.00 C ATOM 166 O ALA A 12 7.802 1.334 -1.547 1.00 0.00 O ATOM 167 CB ALA A 12 9.670 -1.217 -1.885 1.00 0.00 C ATOM 0 HA ALA A 12 10.139 0.791 -2.452 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.796 -1.282 -2.533 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.536 -1.630 -2.402 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.488 -1.783 -0.972 1.00 0.00 H new ATOM 173 N ILE A 13 8.703 0.851 0.456 1.00 0.00 N ATOM 174 CA ILE A 13 7.598 1.410 1.222 1.00 0.00 C ATOM 175 C ILE A 13 7.439 2.904 0.927 1.00 0.00 C ATOM 176 O ILE A 13 6.325 3.412 0.817 1.00 0.00 O ATOM 177 CB ILE A 13 7.818 1.211 2.737 1.00 0.00 C ATOM 178 CG1 ILE A 13 8.094 -0.264 3.050 1.00 0.00 C ATOM 179 CG2 ILE A 13 6.605 1.698 3.512 1.00 0.00 C ATOM 180 CD1 ILE A 13 8.410 -0.529 4.507 1.00 0.00 C ATOM 0 H ILE A 13 9.456 0.465 1.026 1.00 0.00 H new ATOM 0 HA ILE A 13 6.691 0.884 0.923 1.00 0.00 H new ATOM 0 HB ILE A 13 8.686 1.796 3.042 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.225 -0.856 2.763 1.00 0.00 H new ATOM 0 HG13 ILE A 13 8.929 -0.606 2.438 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.772 1.552 4.579 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.446 2.757 3.311 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.725 1.134 3.203 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.594 -1.594 4.652 1.00 0.00 H new ATOM 0 HD12 ILE A 13 9.297 0.035 4.795 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.567 -0.219 5.124 1.00 0.00 H new ATOM 192 N GLU A 14 8.565 3.587 0.760 1.00 0.00 N ATOM 193 CA GLU A 14 8.559 5.023 0.502 1.00 0.00 C ATOM 194 C GLU A 14 8.176 5.320 -0.947 1.00 0.00 C ATOM 195 O GLU A 14 7.650 6.391 -1.257 1.00 0.00 O ATOM 196 CB GLU A 14 9.926 5.617 0.838 1.00 0.00 C ATOM 197 CG GLU A 14 10.215 5.664 2.329 1.00 0.00 C ATOM 198 CD GLU A 14 9.263 6.566 3.092 1.00 0.00 C ATOM 199 OE1 GLU A 14 8.192 6.087 3.526 1.00 0.00 O ATOM 200 OE2 GLU A 14 9.589 7.759 3.268 1.00 0.00 O ATOM 0 H GLU A 14 9.495 3.170 0.799 1.00 0.00 H new ATOM 0 HA GLU A 14 7.808 5.488 1.141 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.700 5.030 0.344 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.984 6.627 0.432 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.155 4.655 2.737 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.237 6.010 2.484 1.00 0.00 H new ATOM 207 N LYS A 15 8.426 4.371 -1.838 1.00 0.00 N ATOM 208 CA LYS A 15 8.002 4.526 -3.219 1.00 0.00 C ATOM 209 C LYS A 15 6.526 4.155 -3.341 1.00 0.00 C ATOM 210 O LYS A 15 5.805 4.699 -4.175 1.00 0.00 O ATOM 211 CB LYS A 15 8.860 3.677 -4.159 1.00 0.00 C ATOM 212 CG LYS A 15 8.627 3.973 -5.636 1.00 0.00 C ATOM 213 CD LYS A 15 8.796 5.455 -5.942 1.00 0.00 C ATOM 214 CE LYS A 15 8.683 5.750 -7.431 1.00 0.00 C ATOM 215 NZ LYS A 15 9.858 5.245 -8.193 1.00 0.00 N ATOM 0 H LYS A 15 8.913 3.499 -1.633 1.00 0.00 H new ATOM 0 HA LYS A 15 8.133 5.567 -3.514 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.912 3.843 -3.926 1.00 0.00 H new ATOM 0 HB3 LYS A 15 8.654 2.623 -3.972 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.327 3.394 -6.239 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.623 3.654 -5.918 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.040 6.025 -5.402 1.00 0.00 H new ATOM 0 HD3 LYS A 15 9.767 5.791 -5.579 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.774 5.293 -7.823 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.589 6.826 -7.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.798 5.569 -9.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.733 5.607 -7.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.866 4.205 -8.170 1.00 0.00 H new ATOM 229 N ALA A 16 6.082 3.231 -2.493 1.00 0.00 N ATOM 230 CA ALA A 16 4.664 2.921 -2.381 1.00 0.00 C ATOM 231 C ALA A 16 3.926 4.132 -1.830 1.00 0.00 C ATOM 232 O ALA A 16 2.799 4.430 -2.224 1.00 0.00 O ATOM 233 CB ALA A 16 4.452 1.705 -1.492 1.00 0.00 C ATOM 0 H ALA A 16 6.684 2.686 -1.876 1.00 0.00 H new ATOM 0 HA ALA A 16 4.267 2.683 -3.368 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.386 1.488 -1.420 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.969 0.846 -1.921 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.849 1.908 -0.497 1.00 0.00 H new ATOM 239 N LEU A 17 4.594 4.833 -0.921 1.00 0.00 N ATOM 240 CA LEU A 17 4.099 6.090 -0.387 1.00 0.00 C ATOM 241 C LEU A 17 3.891 7.099 -1.513 1.00 0.00 C ATOM 242 O LEU A 17 2.904 7.828 -1.525 1.00 0.00 O ATOM 243 CB LEU A 17 5.090 6.647 0.636 1.00 0.00 C ATOM 244 CG LEU A 17 4.718 8.003 1.233 1.00 0.00 C ATOM 245 CD1 LEU A 17 3.473 7.882 2.098 1.00 0.00 C ATOM 246 CD2 LEU A 17 5.882 8.573 2.028 1.00 0.00 C ATOM 0 H LEU A 17 5.493 4.544 -0.536 1.00 0.00 H new ATOM 0 HA LEU A 17 3.142 5.910 0.103 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.192 5.927 1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.067 6.733 0.161 1.00 0.00 H new ATOM 0 HG LEU A 17 4.497 8.692 0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.223 8.858 2.515 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.642 7.523 1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.660 7.178 2.909 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.599 9.539 2.446 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.140 7.889 2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.743 8.700 1.372 1.00 0.00 H new ATOM 258 N ASP A 18 4.832 7.126 -2.455 1.00 0.00 N ATOM 259 CA ASP A 18 4.739 8.010 -3.618 1.00 0.00 C ATOM 260 C ASP A 18 3.462 7.734 -4.407 1.00 0.00 C ATOM 261 O ASP A 18 2.741 8.657 -4.779 1.00 0.00 O ATOM 262 CB ASP A 18 5.959 7.833 -4.529 1.00 0.00 C ATOM 263 CG ASP A 18 5.928 8.749 -5.742 1.00 0.00 C ATOM 264 OD1 ASP A 18 6.425 9.889 -5.644 1.00 0.00 O ATOM 265 OD2 ASP A 18 5.425 8.327 -6.806 1.00 0.00 O ATOM 0 H ASP A 18 5.670 6.545 -2.436 1.00 0.00 H new ATOM 0 HA ASP A 18 4.713 9.038 -3.256 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.866 8.027 -3.956 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.009 6.797 -4.863 1.00 0.00 H new ATOM 270 N PHE A 19 3.180 6.460 -4.648 1.00 0.00 N ATOM 271 CA PHE A 19 1.971 6.072 -5.368 1.00 0.00 C ATOM 272 C PHE A 19 0.720 6.497 -4.600 1.00 0.00 C ATOM 273 O PHE A 19 -0.164 7.152 -5.150 1.00 0.00 O ATOM 274 CB PHE A 19 1.930 4.557 -5.604 1.00 0.00 C ATOM 275 CG PHE A 19 2.977 4.038 -6.549 1.00 0.00 C ATOM 276 CD1 PHE A 19 3.000 4.445 -7.872 1.00 0.00 C ATOM 277 CD2 PHE A 19 3.925 3.124 -6.119 1.00 0.00 C ATOM 278 CE1 PHE A 19 3.950 3.952 -8.746 1.00 0.00 C ATOM 279 CE2 PHE A 19 4.879 2.629 -6.987 1.00 0.00 C ATOM 280 CZ PHE A 19 4.892 3.044 -8.302 1.00 0.00 C ATOM 0 H PHE A 19 3.769 5.679 -4.357 1.00 0.00 H new ATOM 0 HA PHE A 19 1.991 6.580 -6.332 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.043 4.051 -4.645 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.947 4.290 -5.991 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.267 5.156 -8.225 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.918 2.794 -5.091 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.956 4.276 -9.776 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.613 1.919 -6.636 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.637 2.660 -8.983 1.00 0.00 H new ATOM 290 N ILE A 20 0.674 6.142 -3.319 1.00 0.00 N ATOM 291 CA ILE A 20 -0.519 6.356 -2.494 1.00 0.00 C ATOM 292 C ILE A 20 -0.718 7.831 -2.128 1.00 0.00 C ATOM 293 O ILE A 20 -1.770 8.410 -2.399 1.00 0.00 O ATOM 294 CB ILE A 20 -0.449 5.516 -1.197 1.00 0.00 C ATOM 295 CG1 ILE A 20 -0.325 4.027 -1.538 1.00 0.00 C ATOM 296 CG2 ILE A 20 -1.674 5.763 -0.321 1.00 0.00 C ATOM 297 CD1 ILE A 20 -0.155 3.136 -0.327 1.00 0.00 C ATOM 0 H ILE A 20 1.451 5.703 -2.825 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.370 6.037 -3.095 1.00 0.00 H new ATOM 0 HB ILE A 20 0.434 5.823 -0.636 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.214 3.714 -2.086 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.526 3.886 -2.204 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.601 5.161 0.585 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.722 6.818 -0.052 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.575 5.486 -0.869 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.074 2.097 -0.648 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.749 3.421 0.210 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.018 3.247 0.330 1.00 0.00 H new ATOM 309 N GLY A 21 0.288 8.438 -1.515 1.00 0.00 N ATOM 310 CA GLY A 21 0.127 9.786 -1.009 1.00 0.00 C ATOM 311 C GLY A 21 1.107 10.769 -1.607 1.00 0.00 C ATOM 312 O GLY A 21 1.480 11.746 -0.960 1.00 0.00 O ATOM 0 H GLY A 21 1.207 8.025 -1.360 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.888 10.125 -1.214 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.247 9.777 0.074 1.00 0.00 H new ATOM 316 N GLY A 22 1.528 10.510 -2.838 1.00 0.00 N ATOM 317 CA GLY A 22 2.408 11.434 -3.529 1.00 0.00 C ATOM 318 C GLY A 22 1.703 12.730 -3.861 1.00 0.00 C ATOM 319 O GLY A 22 1.985 13.771 -3.270 1.00 0.00 O ATOM 0 H GLY A 22 1.276 9.677 -3.371 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.279 11.642 -2.908 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.774 10.972 -4.446 1.00 0.00 H new ATOM 323 N MET A 23 0.775 12.668 -4.808 1.00 0.00 N ATOM 324 CA MET A 23 -0.047 13.824 -5.138 1.00 0.00 C ATOM 325 C MET A 23 -1.166 13.958 -4.118 1.00 0.00 C ATOM 326 O MET A 23 -1.366 15.028 -3.543 1.00 0.00 O ATOM 327 CB MET A 23 -0.636 13.693 -6.546 1.00 0.00 C ATOM 328 CG MET A 23 0.399 13.754 -7.657 1.00 0.00 C ATOM 329 SD MET A 23 1.320 15.306 -7.665 1.00 0.00 S ATOM 330 CE MET A 23 2.313 15.094 -9.141 1.00 0.00 C ATOM 0 H MET A 23 0.574 11.833 -5.358 1.00 0.00 H new ATOM 0 HA MET A 23 0.580 14.715 -5.114 1.00 0.00 H new ATOM 0 HB2 MET A 23 -1.175 12.748 -6.617 1.00 0.00 H new ATOM 0 HB3 MET A 23 -1.366 14.488 -6.699 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.096 12.923 -7.545 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.098 13.626 -8.619 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.941 15.973 -9.286 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.943 14.211 -9.032 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.659 14.968 -10.004 1.00 0.00 H new ATOM 340 N ASN A 24 -1.872 12.852 -3.899 1.00 0.00 N ATOM 341 CA ASN A 24 -2.944 12.767 -2.909 1.00 0.00 C ATOM 342 C ASN A 24 -4.066 13.754 -3.209 1.00 0.00 C ATOM 343 O ASN A 24 -4.015 14.922 -2.821 1.00 0.00 O ATOM 344 CB ASN A 24 -2.410 12.982 -1.488 1.00 0.00 C ATOM 345 CG ASN A 24 -3.472 12.749 -0.427 1.00 0.00 C ATOM 346 OD1 ASN A 24 -4.159 13.675 0.009 1.00 0.00 O ATOM 347 ND2 ASN A 24 -3.615 11.501 -0.006 1.00 0.00 N ATOM 0 H ASN A 24 -1.716 11.982 -4.407 1.00 0.00 H new ATOM 0 HA ASN A 24 -3.355 11.760 -2.972 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.571 12.308 -1.312 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.027 13.998 -1.397 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.313 11.279 0.704 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.027 10.762 -0.392 1.00 0.00 H new ATOM 354 N THR A 25 -5.069 13.280 -3.920 1.00 0.00 N ATOM 355 CA THR A 25 -6.239 14.087 -4.207 1.00 0.00 C ATOM 356 C THR A 25 -7.272 13.894 -3.095 1.00 0.00 C ATOM 357 O THR A 25 -7.135 12.987 -2.270 1.00 0.00 O ATOM 358 CB THR A 25 -6.838 13.726 -5.586 1.00 0.00 C ATOM 359 OG1 THR A 25 -8.001 14.519 -5.857 1.00 0.00 O ATOM 360 CG2 THR A 25 -7.197 12.251 -5.662 1.00 0.00 C ATOM 0 H THR A 25 -5.098 12.338 -4.311 1.00 0.00 H new ATOM 0 HA THR A 25 -5.946 15.136 -4.245 1.00 0.00 H new ATOM 0 HB THR A 25 -6.078 13.938 -6.338 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.365 14.277 -6.734 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.616 12.029 -6.644 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.301 11.650 -5.505 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.932 12.015 -4.892 1.00 0.00 H new ATOM 368 N SER A 26 -8.289 14.745 -3.059 1.00 0.00 N ATOM 369 CA SER A 26 -9.302 14.673 -2.020 1.00 0.00 C ATOM 370 C SER A 26 -10.200 13.457 -2.230 1.00 0.00 C ATOM 371 O SER A 26 -11.212 13.518 -2.929 1.00 0.00 O ATOM 372 CB SER A 26 -10.121 15.965 -1.996 1.00 0.00 C ATOM 373 OG SER A 26 -9.275 17.087 -1.794 1.00 0.00 O ATOM 0 H SER A 26 -8.432 15.492 -3.738 1.00 0.00 H new ATOM 0 HA SER A 26 -8.810 14.561 -1.054 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.664 16.076 -2.935 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.865 15.916 -1.201 1.00 0.00 H new ATOM 0 HG SER A 26 -9.814 17.905 -1.783 1.00 0.00 H new ATOM 430 N HIS A 31 -13.491 6.591 -4.899 1.00 0.00 N ATOM 431 CA HIS A 31 -12.697 7.290 -5.904 1.00 0.00 C ATOM 432 C HIS A 31 -12.533 6.448 -7.167 1.00 0.00 C ATOM 433 O HIS A 31 -13.237 5.454 -7.352 1.00 0.00 O ATOM 434 CB HIS A 31 -11.339 7.707 -5.336 1.00 0.00 C ATOM 435 CG HIS A 31 -11.213 9.189 -5.191 1.00 0.00 C ATOM 436 ND1 HIS A 31 -10.222 9.920 -5.806 1.00 0.00 N ATOM 437 CD2 HIS A 31 -11.980 10.085 -4.524 1.00 0.00 C ATOM 438 CE1 HIS A 31 -10.386 11.201 -5.531 1.00 0.00 C ATOM 439 NE2 HIS A 31 -11.447 11.329 -4.755 1.00 0.00 N ATOM 0 HA HIS A 31 -13.236 8.196 -6.182 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -11.195 7.236 -4.364 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -10.547 7.340 -5.989 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -9.477 9.532 -6.384 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -12.849 9.862 -3.923 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -9.759 12.007 -5.881 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -11.811 12.208 -4.387 1.00 0.00 H new ATOM 448 N SER A 32 -11.624 6.854 -8.043 1.00 0.00 N ATOM 449 CA SER A 32 -11.464 6.189 -9.325 1.00 0.00 C ATOM 450 C SER A 32 -10.353 5.146 -9.290 1.00 0.00 C ATOM 451 O SER A 32 -10.609 3.957 -9.109 1.00 0.00 O ATOM 452 CB SER A 32 -11.166 7.226 -10.408 1.00 0.00 C ATOM 453 OG SER A 32 -12.131 8.265 -10.387 1.00 0.00 O ATOM 0 H SER A 32 -10.989 7.638 -7.889 1.00 0.00 H new ATOM 0 HA SER A 32 -12.396 5.671 -9.551 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.171 7.644 -10.254 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.162 6.746 -11.387 1.00 0.00 H new ATOM 0 HG SER A 32 -11.922 8.919 -11.086 1.00 0.00 H new ATOM 459 N MET A 33 -9.121 5.608 -9.420 1.00 0.00 N ATOM 460 CA MET A 33 -7.972 4.720 -9.512 1.00 0.00 C ATOM 461 C MET A 33 -7.359 4.520 -8.135 1.00 0.00 C ATOM 462 O MET A 33 -6.602 3.577 -7.897 1.00 0.00 O ATOM 463 CB MET A 33 -6.934 5.322 -10.465 1.00 0.00 C ATOM 464 CG MET A 33 -5.818 4.367 -10.845 1.00 0.00 C ATOM 465 SD MET A 33 -4.209 5.172 -10.903 1.00 0.00 S ATOM 466 CE MET A 33 -4.010 5.601 -9.174 1.00 0.00 C ATOM 0 H MET A 33 -8.889 6.600 -9.465 1.00 0.00 H new ATOM 0 HA MET A 33 -8.295 3.753 -9.897 1.00 0.00 H new ATOM 0 HB2 MET A 33 -7.438 5.654 -11.372 1.00 0.00 H new ATOM 0 HB3 MET A 33 -6.499 6.207 -10.000 1.00 0.00 H new ATOM 0 HG2 MET A 33 -5.785 3.548 -10.126 1.00 0.00 H new ATOM 0 HG3 MET A 33 -6.036 3.928 -11.819 1.00 0.00 H new ATOM 0 HE1 MET A 33 -2.948 5.655 -8.932 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.475 6.568 -8.983 1.00 0.00 H new ATOM 0 HE3 MET A 33 -4.485 4.841 -8.554 1.00 0.00 H new ATOM 476 N ASP A 34 -7.725 5.420 -7.227 1.00 0.00 N ATOM 477 CA ASP A 34 -7.178 5.443 -5.874 1.00 0.00 C ATOM 478 C ASP A 34 -7.535 4.174 -5.114 1.00 0.00 C ATOM 479 O ASP A 34 -6.875 3.821 -4.142 1.00 0.00 O ATOM 480 CB ASP A 34 -7.715 6.654 -5.101 1.00 0.00 C ATOM 481 CG ASP A 34 -7.502 7.970 -5.825 1.00 0.00 C ATOM 482 OD1 ASP A 34 -8.340 8.314 -6.694 1.00 0.00 O ATOM 483 OD2 ASP A 34 -6.519 8.672 -5.524 1.00 0.00 O ATOM 0 H ASP A 34 -8.409 6.154 -7.408 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.094 5.511 -5.960 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.781 6.516 -4.918 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.228 6.700 -4.127 1.00 0.00 H new ATOM 488 N GLU A 35 -8.578 3.489 -5.557 1.00 0.00 N ATOM 489 CA GLU A 35 -9.048 2.303 -4.861 1.00 0.00 C ATOM 490 C GLU A 35 -8.419 1.042 -5.451 1.00 0.00 C ATOM 491 O GLU A 35 -7.577 0.406 -4.819 1.00 0.00 O ATOM 492 CB GLU A 35 -10.579 2.231 -4.928 1.00 0.00 C ATOM 493 CG GLU A 35 -11.206 1.264 -3.932 1.00 0.00 C ATOM 494 CD GLU A 35 -11.575 -0.073 -4.542 1.00 0.00 C ATOM 495 OE1 GLU A 35 -10.696 -0.958 -4.636 1.00 0.00 O ATOM 496 OE2 GLU A 35 -12.758 -0.258 -4.893 1.00 0.00 O ATOM 0 H GLU A 35 -9.112 3.733 -6.391 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.746 2.368 -3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.986 3.227 -4.754 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.873 1.938 -5.936 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.510 1.100 -3.109 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.100 1.720 -3.507 1.00 0.00 H new ATOM 503 N SER A 36 -8.804 0.713 -6.676 1.00 0.00 N ATOM 504 CA SER A 36 -8.421 -0.545 -7.304 1.00 0.00 C ATOM 505 C SER A 36 -6.905 -0.687 -7.474 1.00 0.00 C ATOM 506 O SER A 36 -6.336 -1.731 -7.144 1.00 0.00 O ATOM 507 CB SER A 36 -9.126 -0.650 -8.650 1.00 0.00 C ATOM 508 OG SER A 36 -9.437 0.643 -9.148 1.00 0.00 O ATOM 0 H SER A 36 -9.389 1.309 -7.262 1.00 0.00 H new ATOM 0 HA SER A 36 -8.728 -1.360 -6.649 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.490 -1.177 -9.361 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.039 -1.236 -8.545 1.00 0.00 H new ATOM 0 HG SER A 36 -8.625 1.060 -9.504 1.00 0.00 H new ATOM 514 N THR A 37 -6.254 0.356 -7.974 1.00 0.00 N ATOM 515 CA THR A 37 -4.817 0.304 -8.208 1.00 0.00 C ATOM 516 C THR A 37 -4.048 0.215 -6.887 1.00 0.00 C ATOM 517 O THR A 37 -3.043 -0.495 -6.785 1.00 0.00 O ATOM 518 CB THR A 37 -4.344 1.516 -9.035 1.00 0.00 C ATOM 519 OG1 THR A 37 -4.990 1.500 -10.318 1.00 0.00 O ATOM 520 CG2 THR A 37 -2.834 1.503 -9.232 1.00 0.00 C ATOM 0 H THR A 37 -6.694 1.242 -8.224 1.00 0.00 H new ATOM 0 HA THR A 37 -4.608 -0.598 -8.783 1.00 0.00 H new ATOM 0 HB THR A 37 -4.608 2.422 -8.489 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.962 1.512 -10.195 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.536 2.372 -9.819 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.340 1.535 -8.261 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.543 0.593 -9.757 1.00 0.00 H new ATOM 528 N ALA A 38 -4.544 0.904 -5.863 1.00 0.00 N ATOM 529 CA ALA A 38 -3.917 0.864 -4.549 1.00 0.00 C ATOM 530 C ALA A 38 -4.030 -0.534 -3.944 1.00 0.00 C ATOM 531 O ALA A 38 -3.093 -1.024 -3.312 1.00 0.00 O ATOM 532 CB ALA A 38 -4.539 1.896 -3.623 1.00 0.00 C ATOM 0 H ALA A 38 -5.374 1.494 -5.919 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.861 1.105 -4.668 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.055 1.848 -2.647 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.405 2.892 -4.046 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.603 1.689 -3.511 1.00 0.00 H new ATOM 538 N LYS A 39 -5.186 -1.168 -4.156 1.00 0.00 N ATOM 539 CA LYS A 39 -5.416 -2.541 -3.707 1.00 0.00 C ATOM 540 C LYS A 39 -4.335 -3.467 -4.244 1.00 0.00 C ATOM 541 O LYS A 39 -3.756 -4.258 -3.500 1.00 0.00 O ATOM 542 CB LYS A 39 -6.782 -3.043 -4.190 1.00 0.00 C ATOM 543 CG LYS A 39 -7.971 -2.330 -3.573 1.00 0.00 C ATOM 544 CD LYS A 39 -8.207 -2.764 -2.138 1.00 0.00 C ATOM 545 CE LYS A 39 -9.461 -2.121 -1.567 1.00 0.00 C ATOM 546 NZ LYS A 39 -10.646 -2.354 -2.436 1.00 0.00 N ATOM 0 H LYS A 39 -5.981 -0.748 -4.639 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.390 -2.544 -2.617 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.832 -2.934 -5.273 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.861 -4.108 -3.972 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.805 -1.253 -3.604 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.863 -2.532 -4.165 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.300 -3.849 -2.094 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.346 -2.493 -1.527 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.655 -2.523 -0.572 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.300 -1.049 -1.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.499 -1.989 -1.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.514 -1.862 -3.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.755 -3.374 -2.608 1.00 0.00 H new ATOM 560 N GLY A 40 -4.071 -3.351 -5.541 1.00 0.00 N ATOM 561 CA GLY A 40 -3.078 -4.187 -6.187 1.00 0.00 C ATOM 562 C GLY A 40 -1.711 -4.047 -5.557 1.00 0.00 C ATOM 563 O GLY A 40 -1.032 -5.042 -5.307 1.00 0.00 O ATOM 0 H GLY A 40 -4.533 -2.686 -6.161 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.394 -5.229 -6.135 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.017 -3.925 -7.243 1.00 0.00 H new ATOM 567 N ILE A 41 -1.314 -2.809 -5.287 1.00 0.00 N ATOM 568 CA ILE A 41 -0.020 -2.534 -4.674 1.00 0.00 C ATOM 569 C ILE A 41 0.085 -3.187 -3.297 1.00 0.00 C ATOM 570 O ILE A 41 1.054 -3.893 -3.009 1.00 0.00 O ATOM 571 CB ILE A 41 0.225 -1.015 -4.542 1.00 0.00 C ATOM 572 CG1 ILE A 41 0.223 -0.361 -5.926 1.00 0.00 C ATOM 573 CG2 ILE A 41 1.540 -0.740 -3.820 1.00 0.00 C ATOM 574 CD1 ILE A 41 0.400 1.142 -5.892 1.00 0.00 C ATOM 0 H ILE A 41 -1.871 -1.978 -5.484 1.00 0.00 H new ATOM 0 HA ILE A 41 0.742 -2.958 -5.328 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.581 -0.583 -3.949 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.022 -0.798 -6.525 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.716 -0.596 -6.427 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.692 0.336 -3.738 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.506 -1.178 -2.823 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.363 -1.181 -4.382 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.388 1.533 -6.909 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.413 1.591 -5.321 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.352 1.386 -5.421 1.00 0.00 H new ATOM 586 N LEU A 42 -0.922 -2.968 -2.461 1.00 0.00 N ATOM 587 CA LEU A 42 -0.922 -3.507 -1.106 1.00 0.00 C ATOM 588 C LEU A 42 -0.934 -5.034 -1.113 1.00 0.00 C ATOM 589 O LEU A 42 -0.185 -5.677 -0.371 1.00 0.00 O ATOM 590 CB LEU A 42 -2.129 -2.981 -0.326 1.00 0.00 C ATOM 591 CG LEU A 42 -2.160 -1.462 -0.124 1.00 0.00 C ATOM 592 CD1 LEU A 42 -3.436 -1.044 0.590 1.00 0.00 C ATOM 593 CD2 LEU A 42 -0.938 -1.003 0.658 1.00 0.00 C ATOM 0 H LEU A 42 -1.750 -2.421 -2.697 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.005 -3.177 -0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.038 -3.281 -0.847 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.148 -3.463 0.652 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.142 -0.985 -1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.440 0.038 0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.300 -1.339 -0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.484 -1.531 1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.977 0.078 0.792 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.926 -1.489 1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.034 -1.268 0.110 1.00 0.00 H new ATOM 605 N LYS A 43 -1.776 -5.614 -1.959 1.00 0.00 N ATOM 606 CA LYS A 43 -1.904 -7.064 -2.022 1.00 0.00 C ATOM 607 C LYS A 43 -0.650 -7.709 -2.610 1.00 0.00 C ATOM 608 O LYS A 43 -0.333 -8.858 -2.296 1.00 0.00 O ATOM 609 CB LYS A 43 -3.141 -7.465 -2.831 1.00 0.00 C ATOM 610 CG LYS A 43 -4.450 -7.021 -2.196 1.00 0.00 C ATOM 611 CD LYS A 43 -5.670 -7.465 -2.998 1.00 0.00 C ATOM 612 CE LYS A 43 -5.983 -8.950 -2.814 1.00 0.00 C ATOM 613 NZ LYS A 43 -5.062 -9.837 -3.576 1.00 0.00 N ATOM 0 H LYS A 43 -2.377 -5.106 -2.608 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.022 -7.429 -1.002 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.067 -7.036 -3.830 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.153 -8.548 -2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.516 -7.426 -1.186 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.455 -5.935 -2.104 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.535 -6.875 -2.695 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.500 -7.261 -4.055 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.925 -9.199 -1.754 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.008 -9.142 -3.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.616 -10.546 -4.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.508 -9.268 -4.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.418 -10.318 -2.916 1.00 0.00 H new ATOM 627 N TYR A 44 0.067 -6.971 -3.450 1.00 0.00 N ATOM 628 CA TYR A 44 1.309 -7.471 -4.026 1.00 0.00 C ATOM 629 C TYR A 44 2.389 -7.556 -2.954 1.00 0.00 C ATOM 630 O TYR A 44 3.206 -8.478 -2.947 1.00 0.00 O ATOM 631 CB TYR A 44 1.779 -6.576 -5.175 1.00 0.00 C ATOM 632 CG TYR A 44 3.072 -7.045 -5.804 1.00 0.00 C ATOM 633 CD1 TYR A 44 3.131 -8.242 -6.505 1.00 0.00 C ATOM 634 CD2 TYR A 44 4.237 -6.298 -5.679 1.00 0.00 C ATOM 635 CE1 TYR A 44 4.311 -8.682 -7.067 1.00 0.00 C ATOM 636 CE2 TYR A 44 5.424 -6.734 -6.237 1.00 0.00 C ATOM 637 CZ TYR A 44 5.454 -7.924 -6.928 1.00 0.00 C ATOM 638 OH TYR A 44 6.637 -8.363 -7.477 1.00 0.00 O ATOM 0 H TYR A 44 -0.189 -6.029 -3.746 1.00 0.00 H new ATOM 0 HA TYR A 44 1.122 -8.468 -4.424 1.00 0.00 H new ATOM 0 HB2 TYR A 44 1.003 -6.539 -5.939 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.910 -5.559 -4.805 1.00 0.00 H new ATOM 0 HD1 TYR A 44 2.237 -8.839 -6.612 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.215 -5.363 -5.138 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.339 -9.614 -7.612 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.323 -6.144 -6.131 1.00 0.00 H new ATOM 0 HH TYR A 44 6.877 -7.792 -8.237 1.00 0.00 H new ATOM 648 N LEU A 45 2.382 -6.595 -2.041 1.00 0.00 N ATOM 649 CA LEU A 45 3.333 -6.583 -0.943 1.00 0.00 C ATOM 650 C LEU A 45 3.117 -7.791 -0.040 1.00 0.00 C ATOM 651 O LEU A 45 4.071 -8.433 0.403 1.00 0.00 O ATOM 652 CB LEU A 45 3.205 -5.285 -0.141 1.00 0.00 C ATOM 653 CG LEU A 45 3.513 -4.010 -0.931 1.00 0.00 C ATOM 654 CD1 LEU A 45 3.270 -2.777 -0.077 1.00 0.00 C ATOM 655 CD2 LEU A 45 4.947 -4.029 -1.448 1.00 0.00 C ATOM 0 H LEU A 45 1.727 -5.813 -2.041 1.00 0.00 H new ATOM 0 HA LEU A 45 4.340 -6.636 -1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.191 -5.216 0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.877 -5.336 0.716 1.00 0.00 H new ATOM 0 HG LEU A 45 2.841 -3.971 -1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.495 -1.882 -0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.227 -2.752 0.238 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.914 -2.811 0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.145 -3.114 -2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.636 -4.097 -0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.087 -4.890 -2.101 1.00 0.00 H new ATOM 667 N HIS A 46 1.854 -8.124 0.202 1.00 0.00 N ATOM 668 CA HIS A 46 1.527 -9.277 1.032 1.00 0.00 C ATOM 669 C HIS A 46 1.821 -10.572 0.276 1.00 0.00 C ATOM 670 O HIS A 46 2.059 -11.614 0.883 1.00 0.00 O ATOM 671 CB HIS A 46 0.059 -9.240 1.466 1.00 0.00 C ATOM 672 CG HIS A 46 -0.241 -10.133 2.633 1.00 0.00 C ATOM 673 ND1 HIS A 46 -0.081 -9.928 3.960 1.00 0.00 N flip ATOM 674 CD2 HIS A 46 -0.769 -11.399 2.507 1.00 0.00 C flip ATOM 675 CE1 HIS A 46 -0.510 -11.057 4.601 1.00 0.00 C flip ATOM 676 NE2 HIS A 46 -0.922 -11.931 3.706 1.00 0.00 N flip ATOM 0 H HIS A 46 1.047 -7.617 -0.161 1.00 0.00 H new ATOM 0 HA HIS A 46 2.148 -9.240 1.927 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -0.210 -8.216 1.724 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.568 -9.532 0.624 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -1.019 -11.881 1.573 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -0.511 -11.208 5.670 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -1.295 -12.859 3.905 1.00 0.00 H new ATOM 685 N ASP A 47 1.799 -10.493 -1.051 1.00 0.00 N ATOM 686 CA ASP A 47 2.152 -11.628 -1.899 1.00 0.00 C ATOM 687 C ASP A 47 3.625 -11.973 -1.717 1.00 0.00 C ATOM 688 O ASP A 47 4.010 -13.146 -1.695 1.00 0.00 O ATOM 689 CB ASP A 47 1.870 -11.304 -3.369 1.00 0.00 C ATOM 690 CG ASP A 47 2.214 -12.447 -4.299 1.00 0.00 C ATOM 691 OD1 ASP A 47 1.357 -13.339 -4.487 1.00 0.00 O ATOM 692 OD2 ASP A 47 3.331 -12.456 -4.857 1.00 0.00 O ATOM 0 H ASP A 47 1.539 -9.651 -1.565 1.00 0.00 H new ATOM 0 HA ASP A 47 1.544 -12.485 -1.607 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.816 -11.052 -3.485 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.442 -10.422 -3.658 1.00 0.00 H new ATOM 697 N LEU A 48 4.439 -10.933 -1.581 1.00 0.00 N ATOM 698 CA LEU A 48 5.859 -11.093 -1.295 1.00 0.00 C ATOM 699 C LEU A 48 6.041 -11.663 0.103 1.00 0.00 C ATOM 700 O LEU A 48 6.889 -12.524 0.334 1.00 0.00 O ATOM 701 CB LEU A 48 6.583 -9.747 -1.403 1.00 0.00 C ATOM 702 CG LEU A 48 6.498 -9.063 -2.772 1.00 0.00 C ATOM 703 CD1 LEU A 48 7.161 -7.696 -2.722 1.00 0.00 C ATOM 704 CD2 LEU A 48 7.143 -9.928 -3.844 1.00 0.00 C ATOM 0 H LEU A 48 4.136 -9.963 -1.665 1.00 0.00 H new ATOM 0 HA LEU A 48 6.287 -11.780 -2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.173 -9.072 -0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.634 -9.898 -1.156 1.00 0.00 H new ATOM 0 HG LEU A 48 5.446 -8.930 -3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.093 -7.222 -3.701 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.657 -7.074 -1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.209 -7.810 -2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.072 -9.425 -4.808 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.192 -10.093 -3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.628 -10.887 -3.896 1.00 0.00 H new ATOM 716 N GLY A 49 5.228 -11.181 1.030 1.00 0.00 N ATOM 717 CA GLY A 49 5.280 -11.666 2.391 1.00 0.00 C ATOM 718 C GLY A 49 5.303 -10.535 3.394 1.00 0.00 C ATOM 719 O GLY A 49 4.849 -10.688 4.527 1.00 0.00 O ATOM 0 H GLY A 49 4.529 -10.458 0.861 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.416 -12.303 2.582 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.168 -12.285 2.522 1.00 0.00 H new ATOM 723 N VAL A 50 5.814 -9.389 2.967 1.00 0.00 N ATOM 724 CA VAL A 50 5.946 -8.235 3.840 1.00 0.00 C ATOM 725 C VAL A 50 4.930 -7.159 3.470 1.00 0.00 C ATOM 726 O VAL A 50 5.078 -6.475 2.457 1.00 0.00 O ATOM 727 CB VAL A 50 7.369 -7.638 3.770 1.00 0.00 C ATOM 728 CG1 VAL A 50 7.506 -6.452 4.715 1.00 0.00 C ATOM 729 CG2 VAL A 50 8.415 -8.697 4.085 1.00 0.00 C ATOM 0 H VAL A 50 6.145 -9.235 2.015 1.00 0.00 H new ATOM 0 HA VAL A 50 5.758 -8.576 4.858 1.00 0.00 H new ATOM 0 HB VAL A 50 7.536 -7.284 2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.516 -6.048 4.648 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.788 -5.680 4.437 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.312 -6.777 5.737 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.409 -8.254 4.030 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.247 -9.087 5.089 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.339 -9.510 3.362 1.00 0.00 H new ATOM 739 N PRO A 51 3.868 -7.016 4.273 1.00 0.00 N ATOM 740 CA PRO A 51 2.850 -6.001 4.066 1.00 0.00 C ATOM 741 C PRO A 51 3.152 -4.719 4.839 1.00 0.00 C ATOM 742 O PRO A 51 4.173 -4.616 5.522 1.00 0.00 O ATOM 743 CB PRO A 51 1.608 -6.683 4.627 1.00 0.00 C ATOM 744 CG PRO A 51 2.116 -7.520 5.760 1.00 0.00 C ATOM 745 CD PRO A 51 3.565 -7.839 5.458 1.00 0.00 C ATOM 0 HA PRO A 51 2.764 -5.687 3.026 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.876 -5.952 4.971 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.116 -7.295 3.871 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.028 -6.984 6.705 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.531 -8.435 5.856 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.213 -7.586 6.297 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.707 -8.900 5.254 1.00 0.00 H new ATOM 753 N VAL A 52 2.259 -3.747 4.734 1.00 0.00 N ATOM 754 CA VAL A 52 2.405 -2.497 5.463 1.00 0.00 C ATOM 755 C VAL A 52 1.353 -2.414 6.559 1.00 0.00 C ATOM 756 O VAL A 52 0.155 -2.497 6.284 1.00 0.00 O ATOM 757 CB VAL A 52 2.274 -1.272 4.530 1.00 0.00 C ATOM 758 CG1 VAL A 52 2.527 0.018 5.295 1.00 0.00 C ATOM 759 CG2 VAL A 52 3.228 -1.388 3.354 1.00 0.00 C ATOM 0 H VAL A 52 1.424 -3.800 4.150 1.00 0.00 H new ATOM 0 HA VAL A 52 3.403 -2.483 5.901 1.00 0.00 H new ATOM 0 HB VAL A 52 1.255 -1.248 4.145 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.430 0.867 4.619 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.800 0.111 6.102 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.533 0.001 5.714 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.119 -0.515 2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.253 -1.443 3.721 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.997 -2.289 2.786 1.00 0.00 H new ATOM 769 N SER A 53 1.812 -2.281 7.799 1.00 0.00 N ATOM 770 CA SER A 53 0.925 -2.179 8.946 1.00 0.00 C ATOM 771 C SER A 53 0.038 -0.940 8.834 1.00 0.00 C ATOM 772 O SER A 53 0.537 0.166 8.630 1.00 0.00 O ATOM 773 CB SER A 53 1.750 -2.106 10.232 1.00 0.00 C ATOM 774 OG SER A 53 2.768 -3.095 10.243 1.00 0.00 O ATOM 0 H SER A 53 2.804 -2.241 8.034 1.00 0.00 H new ATOM 0 HA SER A 53 0.287 -3.063 8.970 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.199 -1.117 10.324 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.097 -2.242 11.095 1.00 0.00 H new ATOM 0 HG SER A 53 3.282 -3.026 11.075 1.00 0.00 H new ATOM 780 N PRO A 54 -1.288 -1.116 8.963 1.00 0.00 N ATOM 781 CA PRO A 54 -2.250 -0.007 8.898 1.00 0.00 C ATOM 782 C PRO A 54 -1.906 1.124 9.865 1.00 0.00 C ATOM 783 O PRO A 54 -2.155 2.294 9.576 1.00 0.00 O ATOM 784 CB PRO A 54 -3.573 -0.662 9.301 1.00 0.00 C ATOM 785 CG PRO A 54 -3.408 -2.101 8.955 1.00 0.00 C ATOM 786 CD PRO A 54 -1.954 -2.416 9.163 1.00 0.00 C ATOM 0 HA PRO A 54 -2.266 0.457 7.912 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.771 -0.531 10.365 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.412 -0.220 8.764 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.037 -2.728 9.587 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.704 -2.290 7.923 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -1.768 -2.813 10.161 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -1.599 -3.162 8.452 1.00 0.00 H new ATOM 794 N GLU A 55 -1.318 0.759 11.000 1.00 0.00 N ATOM 795 CA GLU A 55 -0.960 1.719 12.038 1.00 0.00 C ATOM 796 C GLU A 55 -0.058 2.827 11.495 1.00 0.00 C ATOM 797 O GLU A 55 -0.354 4.014 11.650 1.00 0.00 O ATOM 798 CB GLU A 55 -0.261 1.000 13.194 1.00 0.00 C ATOM 799 CG GLU A 55 -0.140 1.849 14.448 1.00 0.00 C ATOM 800 CD GLU A 55 -1.483 2.363 14.922 1.00 0.00 C ATOM 801 OE1 GLU A 55 -2.371 1.535 15.221 1.00 0.00 O ATOM 802 OE2 GLU A 55 -1.667 3.595 14.977 1.00 0.00 O ATOM 0 H GLU A 55 -1.077 -0.206 11.225 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.880 2.182 12.396 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.812 0.090 13.432 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.735 0.695 12.873 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.322 1.260 15.240 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.521 2.693 14.251 1.00 0.00 H new ATOM 809 N VAL A 56 1.033 2.440 10.841 1.00 0.00 N ATOM 810 CA VAL A 56 1.989 3.404 10.335 1.00 0.00 C ATOM 811 C VAL A 56 1.415 4.173 9.149 1.00 0.00 C ATOM 812 O VAL A 56 1.825 5.297 8.871 1.00 0.00 O ATOM 813 CB VAL A 56 3.319 2.729 9.940 1.00 0.00 C ATOM 814 CG1 VAL A 56 3.938 2.022 11.138 1.00 0.00 C ATOM 815 CG2 VAL A 56 3.134 1.759 8.782 1.00 0.00 C ATOM 0 H VAL A 56 1.272 1.467 10.652 1.00 0.00 H new ATOM 0 HA VAL A 56 2.194 4.109 11.141 1.00 0.00 H new ATOM 0 HB VAL A 56 4.000 3.513 9.607 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.875 1.552 10.839 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.132 2.747 11.928 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.251 1.260 11.505 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.092 1.303 8.532 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.426 0.981 9.068 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.751 2.297 7.915 1.00 0.00 H new ATOM 825 N VAL A 57 0.446 3.568 8.468 1.00 0.00 N ATOM 826 CA VAL A 57 -0.237 4.225 7.361 1.00 0.00 C ATOM 827 C VAL A 57 -1.048 5.410 7.874 1.00 0.00 C ATOM 828 O VAL A 57 -1.000 6.502 7.305 1.00 0.00 O ATOM 829 CB VAL A 57 -1.177 3.253 6.610 1.00 0.00 C ATOM 830 CG1 VAL A 57 -1.884 3.953 5.459 1.00 0.00 C ATOM 831 CG2 VAL A 57 -0.410 2.044 6.105 1.00 0.00 C ATOM 0 H VAL A 57 0.117 2.623 8.665 1.00 0.00 H new ATOM 0 HA VAL A 57 0.528 4.569 6.665 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.935 2.912 7.315 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.538 3.245 4.949 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.477 4.781 5.846 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.144 4.335 4.756 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.091 1.374 5.580 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.375 2.370 5.423 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.037 1.518 6.949 1.00 0.00 H new ATOM 841 N VAL A 58 -1.776 5.188 8.964 1.00 0.00 N ATOM 842 CA VAL A 58 -2.580 6.241 9.577 1.00 0.00 C ATOM 843 C VAL A 58 -1.696 7.396 10.032 1.00 0.00 C ATOM 844 O VAL A 58 -1.966 8.557 9.720 1.00 0.00 O ATOM 845 CB VAL A 58 -3.389 5.716 10.783 1.00 0.00 C ATOM 846 CG1 VAL A 58 -4.216 6.831 11.411 1.00 0.00 C ATOM 847 CG2 VAL A 58 -4.284 4.558 10.369 1.00 0.00 C ATOM 0 H VAL A 58 -1.826 4.288 9.442 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.279 6.590 8.817 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.682 5.355 11.529 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.776 6.435 12.258 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.554 7.626 11.753 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.910 7.230 10.671 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.845 4.204 11.234 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.979 4.893 9.599 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.671 3.746 9.977 1.00 0.00 H new ATOM 857 N ALA A 59 -0.625 7.068 10.748 1.00 0.00 N ATOM 858 CA ALA A 59 0.296 8.077 11.254 1.00 0.00 C ATOM 859 C ALA A 59 0.948 8.844 10.108 1.00 0.00 C ATOM 860 O ALA A 59 1.089 10.066 10.169 1.00 0.00 O ATOM 861 CB ALA A 59 1.356 7.435 12.143 1.00 0.00 C ATOM 0 H ALA A 59 -0.374 6.110 10.991 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.274 8.787 11.853 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.035 8.203 12.512 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.873 6.942 12.987 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.918 6.700 11.566 1.00 0.00 H new ATOM 867 N ARG A 60 1.331 8.123 9.058 1.00 0.00 N ATOM 868 CA ARG A 60 1.892 8.749 7.868 1.00 0.00 C ATOM 869 C ARG A 60 0.867 9.687 7.232 1.00 0.00 C ATOM 870 O ARG A 60 1.198 10.801 6.833 1.00 0.00 O ATOM 871 CB ARG A 60 2.343 7.680 6.860 1.00 0.00 C ATOM 872 CG ARG A 60 2.740 8.241 5.501 1.00 0.00 C ATOM 873 CD ARG A 60 3.943 9.168 5.591 1.00 0.00 C ATOM 874 NE ARG A 60 5.219 8.457 5.520 1.00 0.00 N ATOM 875 CZ ARG A 60 6.411 9.058 5.487 1.00 0.00 C ATOM 876 NH1 ARG A 60 6.510 10.378 5.625 1.00 0.00 N ATOM 877 NH2 ARG A 60 7.511 8.335 5.318 1.00 0.00 N ATOM 0 H ARG A 60 1.263 7.107 9.008 1.00 0.00 H new ATOM 0 HA ARG A 60 2.764 9.334 8.160 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.189 7.135 7.278 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.536 6.960 6.723 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.967 7.419 4.823 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.897 8.783 5.073 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.894 9.897 4.782 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.896 9.726 6.526 1.00 0.00 H new ATOM 0 HE ARG A 60 5.197 7.438 5.494 1.00 0.00 H new ATOM 0 HH11 ARG A 60 5.670 10.941 5.758 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.426 10.826 5.598 1.00 0.00 H new ATOM 0 HH21 ARG A 60 7.445 7.323 5.214 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.423 8.792 5.292 1.00 0.00 H new ATOM 891 N GLY A 61 -0.378 9.233 7.170 1.00 0.00 N ATOM 892 CA GLY A 61 -1.442 10.030 6.591 1.00 0.00 C ATOM 893 C GLY A 61 -1.665 11.326 7.337 1.00 0.00 C ATOM 894 O GLY A 61 -1.737 12.396 6.726 1.00 0.00 O ATOM 0 H GLY A 61 -0.672 8.319 7.514 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.202 10.250 5.551 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.366 9.451 6.590 1.00 0.00 H new ATOM 898 N GLU A 62 -1.748 11.241 8.657 1.00 0.00 N ATOM 899 CA GLU A 62 -1.992 12.420 9.482 1.00 0.00 C ATOM 900 C GLU A 62 -0.743 13.294 9.562 1.00 0.00 C ATOM 901 O GLU A 62 -0.801 14.437 10.021 1.00 0.00 O ATOM 902 CB GLU A 62 -2.445 12.020 10.890 1.00 0.00 C ATOM 903 CG GLU A 62 -3.602 11.037 10.896 1.00 0.00 C ATOM 904 CD GLU A 62 -4.377 11.045 12.197 1.00 0.00 C ATOM 905 OE1 GLU A 62 -3.751 11.159 13.272 1.00 0.00 O ATOM 906 OE2 GLU A 62 -5.622 10.926 12.151 1.00 0.00 O ATOM 0 H GLU A 62 -1.651 10.371 9.181 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.790 12.994 9.012 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.602 11.581 11.423 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.737 12.916 11.438 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.278 11.275 10.075 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.220 10.033 10.713 1.00 0.00 H new ATOM 913 N GLN A 63 0.386 12.750 9.128 1.00 0.00 N ATOM 914 CA GLN A 63 1.627 13.509 9.086 1.00 0.00 C ATOM 915 C GLN A 63 1.729 14.296 7.785 1.00 0.00 C ATOM 916 O GLN A 63 1.940 15.509 7.791 1.00 0.00 O ATOM 917 CB GLN A 63 2.832 12.578 9.231 1.00 0.00 C ATOM 918 CG GLN A 63 4.153 13.311 9.412 1.00 0.00 C ATOM 919 CD GLN A 63 5.343 12.370 9.473 1.00 0.00 C ATOM 920 OE1 GLN A 63 5.288 11.283 8.717 1.00 0.00 O flip ATOM 921 NE2 GLN A 63 6.321 12.634 10.171 1.00 0.00 N flip ATOM 0 H GLN A 63 0.467 11.787 8.801 1.00 0.00 H new ATOM 0 HA GLN A 63 1.625 14.210 9.920 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.671 11.921 10.086 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.897 11.942 8.348 1.00 0.00 H new ATOM 0 HG2 GLN A 63 4.291 14.011 8.588 1.00 0.00 H new ATOM 0 HG3 GLN A 63 4.114 13.900 10.328 1.00 0.00 H new ATOM 0 HE21 GLN A 63 6.328 13.480 10.740 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.125 12.007 10.180 1.00 0.00 H new ATOM 930 N GLU A 64 1.558 13.601 6.668 1.00 0.00 N ATOM 931 CA GLU A 64 1.705 14.219 5.354 1.00 0.00 C ATOM 932 C GLU A 64 0.515 15.118 5.038 1.00 0.00 C ATOM 933 O GLU A 64 0.632 16.069 4.265 1.00 0.00 O ATOM 934 CB GLU A 64 1.844 13.159 4.264 1.00 0.00 C ATOM 935 CG GLU A 64 2.975 12.170 4.498 1.00 0.00 C ATOM 936 CD GLU A 64 4.293 12.838 4.830 1.00 0.00 C ATOM 937 OE1 GLU A 64 4.764 13.676 4.032 1.00 0.00 O ATOM 938 OE2 GLU A 64 4.871 12.509 5.889 1.00 0.00 O ATOM 0 H GLU A 64 1.318 12.610 6.644 1.00 0.00 H new ATOM 0 HA GLU A 64 2.611 14.824 5.378 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.906 12.609 4.185 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.003 13.656 3.307 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.700 11.499 5.312 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.101 11.555 3.607 1.00 0.00 H new ATOM 945 N GLY A 65 -0.632 14.799 5.624 1.00 0.00 N ATOM 946 CA GLY A 65 -1.810 15.616 5.431 1.00 0.00 C ATOM 947 C GLY A 65 -2.771 15.019 4.429 1.00 0.00 C ATOM 948 O GLY A 65 -3.234 15.707 3.518 1.00 0.00 O ATOM 0 H GLY A 65 -0.766 13.989 6.229 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.319 15.745 6.386 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.509 16.608 5.094 1.00 0.00 H new ATOM 952 N TRP A 66 -3.068 13.735 4.586 1.00 0.00 N ATOM 953 CA TRP A 66 -4.019 13.060 3.709 1.00 0.00 C ATOM 954 C TRP A 66 -5.443 13.318 4.194 1.00 0.00 C ATOM 955 O TRP A 66 -5.664 13.569 5.381 1.00 0.00 O ATOM 956 CB TRP A 66 -3.776 11.545 3.673 1.00 0.00 C ATOM 957 CG TRP A 66 -2.398 11.130 3.243 1.00 0.00 C ATOM 958 CD1 TRP A 66 -1.405 11.922 2.742 1.00 0.00 C ATOM 959 CD2 TRP A 66 -1.876 9.801 3.271 1.00 0.00 C ATOM 960 NE1 TRP A 66 -0.291 11.161 2.470 1.00 0.00 N ATOM 961 CE2 TRP A 66 -0.558 9.857 2.788 1.00 0.00 C ATOM 962 CE3 TRP A 66 -2.396 8.564 3.664 1.00 0.00 C ATOM 963 CZ2 TRP A 66 0.249 8.729 2.691 1.00 0.00 C ATOM 964 CZ3 TRP A 66 -1.597 7.443 3.566 1.00 0.00 C ATOM 965 CH2 TRP A 66 -0.285 7.532 3.083 1.00 0.00 C ATOM 0 H TRP A 66 -2.666 13.140 5.311 1.00 0.00 H new ATOM 0 HA TRP A 66 -3.881 13.459 2.704 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -3.968 11.138 4.666 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -4.502 11.092 2.998 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -1.482 12.987 2.583 1.00 0.00 H new ATOM 0 HE1 TRP A 66 0.590 11.512 2.093 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.406 8.487 4.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 1.261 8.795 2.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -1.989 6.483 3.866 1.00 0.00 H new ATOM 0 HH2 TRP A 66 0.317 6.638 3.019 1.00 0.00 H new ATOM 976 N ASN A 67 -6.402 13.259 3.280 1.00 0.00 N ATOM 977 CA ASN A 67 -7.810 13.397 3.641 1.00 0.00 C ATOM 978 C ASN A 67 -8.218 12.246 4.559 1.00 0.00 C ATOM 979 O ASN A 67 -7.972 11.084 4.233 1.00 0.00 O ATOM 980 CB ASN A 67 -8.687 13.395 2.382 1.00 0.00 C ATOM 981 CG ASN A 67 -10.116 13.836 2.655 1.00 0.00 C ATOM 982 OD1 ASN A 67 -10.367 14.693 3.498 1.00 0.00 O ATOM 983 ND2 ASN A 67 -11.069 13.235 1.962 1.00 0.00 N ATOM 0 H ASN A 67 -6.233 13.117 2.284 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.950 14.344 4.162 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.245 14.056 1.636 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.697 12.393 1.954 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -12.046 13.479 2.121 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -10.826 12.527 1.269 1.00 0.00 H new ATOM 990 N PRO A 68 -8.824 12.552 5.725 1.00 0.00 N ATOM 991 CA PRO A 68 -9.218 11.548 6.726 1.00 0.00 C ATOM 992 C PRO A 68 -9.956 10.355 6.127 1.00 0.00 C ATOM 993 O PRO A 68 -9.680 9.207 6.477 1.00 0.00 O ATOM 994 CB PRO A 68 -10.143 12.320 7.682 1.00 0.00 C ATOM 995 CG PRO A 68 -10.356 13.659 7.052 1.00 0.00 C ATOM 996 CD PRO A 68 -9.162 13.905 6.178 1.00 0.00 C ATOM 0 HA PRO A 68 -8.342 11.117 7.210 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.090 11.797 7.817 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -9.690 12.420 8.668 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -11.276 13.672 6.467 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -10.450 14.436 7.811 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -9.397 14.566 5.344 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.342 14.366 6.729 1.00 0.00 H new ATOM 1004 N GLU A 69 -10.889 10.633 5.221 1.00 0.00 N ATOM 1005 CA GLU A 69 -11.667 9.586 4.563 1.00 0.00 C ATOM 1006 C GLU A 69 -10.777 8.626 3.784 1.00 0.00 C ATOM 1007 O GLU A 69 -11.030 7.422 3.752 1.00 0.00 O ATOM 1008 CB GLU A 69 -12.707 10.209 3.630 1.00 0.00 C ATOM 1009 CG GLU A 69 -13.941 10.717 4.353 1.00 0.00 C ATOM 1010 CD GLU A 69 -14.768 9.588 4.937 1.00 0.00 C ATOM 1011 OE1 GLU A 69 -14.498 9.167 6.081 1.00 0.00 O ATOM 1012 OE2 GLU A 69 -15.684 9.101 4.243 1.00 0.00 O ATOM 0 H GLU A 69 -11.126 11.580 4.924 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.173 9.014 5.340 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.248 11.035 3.087 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.009 9.469 2.889 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.639 11.395 5.152 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.554 11.294 3.660 1.00 0.00 H new ATOM 1019 N PHE A 70 -9.734 9.161 3.168 1.00 0.00 N ATOM 1020 CA PHE A 70 -8.805 8.349 2.395 1.00 0.00 C ATOM 1021 C PHE A 70 -7.974 7.472 3.325 1.00 0.00 C ATOM 1022 O PHE A 70 -7.930 6.253 3.169 1.00 0.00 O ATOM 1023 CB PHE A 70 -7.900 9.254 1.548 1.00 0.00 C ATOM 1024 CG PHE A 70 -6.900 8.507 0.707 1.00 0.00 C ATOM 1025 CD1 PHE A 70 -7.318 7.736 -0.368 1.00 0.00 C ATOM 1026 CD2 PHE A 70 -5.543 8.573 0.990 1.00 0.00 C ATOM 1027 CE1 PHE A 70 -6.403 7.048 -1.143 1.00 0.00 C ATOM 1028 CE2 PHE A 70 -4.625 7.887 0.217 1.00 0.00 C ATOM 1029 CZ PHE A 70 -5.057 7.122 -0.850 1.00 0.00 C ATOM 0 H PHE A 70 -9.509 10.156 3.188 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.369 7.699 1.726 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.523 9.865 0.895 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.366 9.936 2.209 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.370 7.673 -0.602 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.200 9.167 1.824 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.742 6.453 -1.978 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.571 7.949 0.447 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.342 6.583 -1.454 1.00 0.00 H new ATOM 1039 N THR A 71 -7.340 8.105 4.307 1.00 0.00 N ATOM 1040 CA THR A 71 -6.492 7.403 5.262 1.00 0.00 C ATOM 1041 C THR A 71 -7.271 6.318 6.004 1.00 0.00 C ATOM 1042 O THR A 71 -6.761 5.221 6.238 1.00 0.00 O ATOM 1043 CB THR A 71 -5.907 8.388 6.289 1.00 0.00 C ATOM 1044 OG1 THR A 71 -5.446 9.568 5.621 1.00 0.00 O ATOM 1045 CG2 THR A 71 -4.755 7.762 7.060 1.00 0.00 C ATOM 0 H THR A 71 -7.399 9.111 4.462 1.00 0.00 H new ATOM 0 HA THR A 71 -5.685 6.936 4.697 1.00 0.00 H new ATOM 0 HB THR A 71 -6.696 8.645 6.996 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.076 10.193 6.279 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.363 8.483 7.778 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.110 6.878 7.590 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.965 7.476 6.365 1.00 0.00 H new ATOM 1053 N LYS A 72 -8.514 6.632 6.361 1.00 0.00 N ATOM 1054 CA LYS A 72 -9.373 5.697 7.076 1.00 0.00 C ATOM 1055 C LYS A 72 -9.601 4.438 6.246 1.00 0.00 C ATOM 1056 O LYS A 72 -9.480 3.318 6.746 1.00 0.00 O ATOM 1057 CB LYS A 72 -10.718 6.357 7.394 1.00 0.00 C ATOM 1058 CG LYS A 72 -11.622 5.522 8.290 1.00 0.00 C ATOM 1059 CD LYS A 72 -11.093 5.455 9.714 1.00 0.00 C ATOM 1060 CE LYS A 72 -11.095 6.827 10.367 1.00 0.00 C ATOM 1061 NZ LYS A 72 -10.598 6.783 11.767 1.00 0.00 N ATOM 0 H LYS A 72 -8.949 7.533 6.164 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.880 5.419 8.007 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.535 7.318 7.875 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -11.240 6.563 6.459 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.625 5.948 8.294 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.706 4.514 7.885 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.705 4.770 10.300 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.080 5.053 9.710 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.473 7.506 9.784 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.107 7.232 10.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.617 7.741 12.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.206 6.156 12.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.623 6.422 11.778 1.00 0.00 H new ATOM 1075 N LYS A 73 -9.922 4.632 4.974 1.00 0.00 N ATOM 1076 CA LYS A 73 -10.198 3.524 4.079 1.00 0.00 C ATOM 1077 C LYS A 73 -8.948 2.695 3.813 1.00 0.00 C ATOM 1078 O LYS A 73 -8.994 1.468 3.886 1.00 0.00 O ATOM 1079 CB LYS A 73 -10.787 4.050 2.772 1.00 0.00 C ATOM 1080 CG LYS A 73 -12.192 4.594 2.941 1.00 0.00 C ATOM 1081 CD LYS A 73 -12.720 5.198 1.653 1.00 0.00 C ATOM 1082 CE LYS A 73 -14.134 5.725 1.835 1.00 0.00 C ATOM 1083 NZ LYS A 73 -14.205 6.782 2.881 1.00 0.00 N ATOM 0 H LYS A 73 -9.997 5.552 4.540 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.924 2.869 4.560 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.142 4.836 2.378 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.799 3.248 2.034 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.856 3.793 3.266 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -12.197 5.350 3.726 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.065 6.008 1.332 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.707 4.447 0.863 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.496 6.127 0.889 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.796 4.902 2.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.799 7.566 2.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.618 6.384 3.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.248 7.135 3.083 1.00 0.00 H new ATOM 1097 N VAL A 74 -7.834 3.360 3.524 1.00 0.00 N ATOM 1098 CA VAL A 74 -6.581 2.660 3.244 1.00 0.00 C ATOM 1099 C VAL A 74 -6.148 1.816 4.443 1.00 0.00 C ATOM 1100 O VAL A 74 -5.647 0.702 4.284 1.00 0.00 O ATOM 1101 CB VAL A 74 -5.447 3.639 2.867 1.00 0.00 C ATOM 1102 CG1 VAL A 74 -4.149 2.889 2.593 1.00 0.00 C ATOM 1103 CG2 VAL A 74 -5.843 4.481 1.662 1.00 0.00 C ATOM 0 H VAL A 74 -7.771 4.377 3.477 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.768 2.007 2.391 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.281 4.306 3.713 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.366 3.600 2.330 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.853 2.337 3.485 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.298 2.192 1.768 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.031 5.164 1.413 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.042 3.829 0.812 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.740 5.054 1.898 1.00 0.00 H new ATOM 1113 N ALA A 75 -6.367 2.344 5.642 1.00 0.00 N ATOM 1114 CA ALA A 75 -6.059 1.615 6.864 1.00 0.00 C ATOM 1115 C ALA A 75 -6.893 0.342 6.955 1.00 0.00 C ATOM 1116 O ALA A 75 -6.408 -0.701 7.399 1.00 0.00 O ATOM 1117 CB ALA A 75 -6.307 2.493 8.080 1.00 0.00 C ATOM 0 H ALA A 75 -6.757 3.274 5.793 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.005 1.337 6.841 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.072 1.934 8.986 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.673 3.378 8.025 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.354 2.797 8.102 1.00 0.00 H new ATOM 1123 N GLY A 76 -8.147 0.434 6.533 1.00 0.00 N ATOM 1124 CA GLY A 76 -9.009 -0.729 6.514 1.00 0.00 C ATOM 1125 C GLY A 76 -8.596 -1.722 5.444 1.00 0.00 C ATOM 1126 O GLY A 76 -8.711 -2.933 5.633 1.00 0.00 O ATOM 0 H GLY A 76 -8.582 1.295 6.203 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.984 -1.215 7.489 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.038 -0.415 6.340 1.00 0.00 H new ATOM 1130 N TRP A 77 -8.116 -1.207 4.317 1.00 0.00 N ATOM 1131 CA TRP A 77 -7.627 -2.058 3.240 1.00 0.00 C ATOM 1132 C TRP A 77 -6.427 -2.857 3.720 1.00 0.00 C ATOM 1133 O TRP A 77 -6.423 -4.080 3.642 1.00 0.00 O ATOM 1134 CB TRP A 77 -7.225 -1.233 2.012 1.00 0.00 C ATOM 1135 CG TRP A 77 -8.333 -0.410 1.430 1.00 0.00 C ATOM 1136 CD1 TRP A 77 -9.670 -0.544 1.657 1.00 0.00 C ATOM 1137 CD2 TRP A 77 -8.188 0.676 0.508 1.00 0.00 C ATOM 1138 NE1 TRP A 77 -10.365 0.402 0.945 1.00 0.00 N ATOM 1139 CE2 TRP A 77 -9.479 1.163 0.230 1.00 0.00 C ATOM 1140 CE3 TRP A 77 -7.091 1.287 -0.103 1.00 0.00 C ATOM 1141 CZ2 TRP A 77 -9.701 2.232 -0.635 1.00 0.00 C ATOM 1142 CZ3 TRP A 77 -7.310 2.345 -0.963 1.00 0.00 C ATOM 1143 CH2 TRP A 77 -8.607 2.811 -1.220 1.00 0.00 C ATOM 0 H TRP A 77 -8.055 -0.207 4.126 1.00 0.00 H new ATOM 0 HA TRP A 77 -8.435 -2.731 2.953 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -6.403 -0.572 2.287 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -6.848 -1.908 1.244 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -10.117 -1.286 2.302 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -11.378 0.519 0.948 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -6.088 0.938 0.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -10.699 2.591 -0.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -6.469 2.821 -1.445 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -8.746 3.644 -1.893 1.00 0.00 H new ATOM 1154 N ALA A 78 -5.427 -2.152 4.241 1.00 0.00 N ATOM 1155 CA ALA A 78 -4.201 -2.782 4.721 1.00 0.00 C ATOM 1156 C ALA A 78 -4.503 -3.818 5.799 1.00 0.00 C ATOM 1157 O ALA A 78 -3.822 -4.839 5.900 1.00 0.00 O ATOM 1158 CB ALA A 78 -3.232 -1.729 5.242 1.00 0.00 C ATOM 0 H ALA A 78 -5.442 -1.137 4.342 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.733 -3.299 3.883 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.323 -2.215 5.596 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.983 -1.035 4.439 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.695 -1.183 6.064 1.00 0.00 H new ATOM 1164 N GLU A 79 -5.534 -3.549 6.591 1.00 0.00 N ATOM 1165 CA GLU A 79 -5.996 -4.486 7.605 1.00 0.00 C ATOM 1166 C GLU A 79 -6.377 -5.814 6.959 1.00 0.00 C ATOM 1167 O GLU A 79 -5.908 -6.878 7.368 1.00 0.00 O ATOM 1168 CB GLU A 79 -7.188 -3.875 8.362 1.00 0.00 C ATOM 1169 CG GLU A 79 -7.793 -4.765 9.446 1.00 0.00 C ATOM 1170 CD GLU A 79 -8.892 -5.676 8.929 1.00 0.00 C ATOM 1171 OE1 GLU A 79 -10.029 -5.187 8.729 1.00 0.00 O ATOM 1172 OE2 GLU A 79 -8.633 -6.881 8.741 1.00 0.00 O ATOM 0 H GLU A 79 -6.069 -2.682 6.549 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.194 -4.679 8.317 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.867 -2.939 8.820 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -7.967 -3.626 7.641 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.005 -5.373 9.889 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.195 -4.136 10.240 1.00 0.00 H new ATOM 1179 N LYS A 80 -7.192 -5.733 5.919 1.00 0.00 N ATOM 1180 CA LYS A 80 -7.726 -6.921 5.277 1.00 0.00 C ATOM 1181 C LYS A 80 -6.724 -7.528 4.306 1.00 0.00 C ATOM 1182 O LYS A 80 -6.812 -8.709 3.974 1.00 0.00 O ATOM 1183 CB LYS A 80 -9.037 -6.582 4.574 1.00 0.00 C ATOM 1184 CG LYS A 80 -10.026 -5.914 5.503 1.00 0.00 C ATOM 1185 CD LYS A 80 -11.405 -5.795 4.890 1.00 0.00 C ATOM 1186 CE LYS A 80 -12.336 -5.042 5.822 1.00 0.00 C ATOM 1187 NZ LYS A 80 -12.304 -5.593 7.207 1.00 0.00 N ATOM 0 H LYS A 80 -7.498 -4.854 5.502 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.921 -7.670 6.044 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.835 -5.925 3.728 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.478 -7.494 4.171 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.091 -6.484 6.430 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.661 -4.921 5.765 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.341 -5.277 3.933 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.807 -6.788 4.688 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.054 -3.989 5.844 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.354 -5.091 5.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.171 -5.316 7.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.243 -6.630 7.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.476 -5.217 7.711 1.00 0.00 H new ATOM 1201 N VAL A 81 -5.772 -6.721 3.854 1.00 0.00 N ATOM 1202 CA VAL A 81 -4.685 -7.222 3.024 1.00 0.00 C ATOM 1203 C VAL A 81 -3.785 -8.142 3.848 1.00 0.00 C ATOM 1204 O VAL A 81 -3.300 -9.165 3.359 1.00 0.00 O ATOM 1205 CB VAL A 81 -3.828 -6.076 2.431 1.00 0.00 C ATOM 1206 CG1 VAL A 81 -2.595 -6.623 1.731 1.00 0.00 C ATOM 1207 CG2 VAL A 81 -4.643 -5.231 1.466 1.00 0.00 C ATOM 0 H VAL A 81 -5.731 -5.720 4.048 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.136 -7.771 2.197 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.505 -5.445 3.259 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.011 -5.797 1.324 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.988 -7.179 2.445 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.900 -7.285 0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.018 -4.434 1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.003 -5.857 0.649 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.493 -4.796 1.992 1.00 0.00 H new ATOM 1217 N ALA A 82 -3.577 -7.767 5.101 1.00 0.00 N ATOM 1218 CA ALA A 82 -2.726 -8.529 6.001 1.00 0.00 C ATOM 1219 C ALA A 82 -3.435 -9.782 6.503 1.00 0.00 C ATOM 1220 O ALA A 82 -2.855 -10.869 6.531 1.00 0.00 O ATOM 1221 CB ALA A 82 -2.287 -7.660 7.171 1.00 0.00 C ATOM 0 H ALA A 82 -3.989 -6.933 5.520 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.843 -8.846 5.446 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.650 -8.242 7.838 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.731 -6.800 6.797 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.165 -7.315 7.717 1.00 0.00 H new ATOM 1227 N SER A 83 -4.696 -9.627 6.886 1.00 0.00 N ATOM 1228 CA SER A 83 -5.470 -10.740 7.410 1.00 0.00 C ATOM 1229 C SER A 83 -5.909 -11.683 6.290 1.00 0.00 C ATOM 1230 O SER A 83 -5.963 -12.900 6.476 1.00 0.00 O ATOM 1231 CB SER A 83 -6.685 -10.214 8.179 1.00 0.00 C ATOM 1232 OG SER A 83 -7.453 -9.322 7.382 1.00 0.00 O ATOM 0 H SER A 83 -5.202 -8.742 6.843 1.00 0.00 H new ATOM 0 HA SER A 83 -4.837 -11.308 8.092 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.308 -11.051 8.496 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.353 -9.704 9.083 1.00 0.00 H new ATOM 0 HG SER A 83 -7.654 -8.513 7.897 1.00 0.00 H new ATOM 1238 N GLY A 84 -6.200 -11.121 5.126 1.00 0.00 N ATOM 1239 CA GLY A 84 -6.646 -11.920 4.003 1.00 0.00 C ATOM 1240 C GLY A 84 -8.154 -12.047 3.968 1.00 0.00 C ATOM 1241 O GLY A 84 -8.689 -13.134 3.746 1.00 0.00 O ATOM 0 H GLY A 84 -6.135 -10.120 4.939 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.298 -11.468 3.074 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.199 -12.912 4.062 1.00 0.00 H new ATOM 1245 N ASN A 85 -8.840 -10.937 4.187 1.00 0.00 N ATOM 1246 CA ASN A 85 -10.299 -10.938 4.223 1.00 0.00 C ATOM 1247 C ASN A 85 -10.882 -10.187 3.035 1.00 0.00 C ATOM 1248 O ASN A 85 -10.799 -8.959 2.974 1.00 0.00 O ATOM 1249 CB ASN A 85 -10.825 -10.309 5.519 1.00 0.00 C ATOM 1250 CG ASN A 85 -10.751 -11.245 6.710 1.00 0.00 C ATOM 1251 OD1 ASN A 85 -11.668 -12.034 6.948 1.00 0.00 O ATOM 1252 ND2 ASN A 85 -9.679 -11.145 7.478 1.00 0.00 N ATOM 0 H ASN A 85 -8.414 -10.024 4.343 1.00 0.00 H new ATOM 0 HA ASN A 85 -10.614 -11.980 4.177 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -10.251 -9.408 5.737 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -11.860 -10.000 5.371 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -9.587 -11.735 8.305 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -8.944 -10.478 7.243 1.00 0.00 H new ATOM 1259 N ARG A 86 -11.473 -10.934 2.100 1.00 0.00 N ATOM 1260 CA ARG A 86 -12.188 -10.345 0.967 1.00 0.00 C ATOM 1261 C ARG A 86 -11.238 -9.516 0.101 1.00 0.00 C ATOM 1262 O ARG A 86 -10.110 -9.933 -0.155 1.00 0.00 O ATOM 1263 CB ARG A 86 -13.368 -9.502 1.485 1.00 0.00 C ATOM 1264 CG ARG A 86 -14.295 -10.277 2.412 1.00 0.00 C ATOM 1265 CD ARG A 86 -15.404 -9.402 2.968 1.00 0.00 C ATOM 1266 NE ARG A 86 -16.360 -8.999 1.937 1.00 0.00 N ATOM 1267 CZ ARG A 86 -17.217 -7.990 2.070 1.00 0.00 C ATOM 1268 NH1 ARG A 86 -17.227 -7.266 3.184 1.00 0.00 N ATOM 1269 NH2 ARG A 86 -18.058 -7.706 1.087 1.00 0.00 N ATOM 0 H ARG A 86 -11.470 -11.954 2.106 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.586 -11.140 0.337 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.980 -8.631 2.014 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -13.941 -9.130 0.636 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -14.732 -11.115 1.870 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.717 -10.696 3.235 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -15.929 -9.941 3.757 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.969 -8.513 3.425 1.00 0.00 H new ATOM 0 HE ARG A 86 -16.370 -9.524 1.062 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -16.577 -7.483 3.939 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -17.885 -6.493 3.284 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -18.048 -8.260 0.231 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -18.716 -6.933 1.186 1.00 0.00 H new ATOM 1283 N ILE A 87 -11.741 -8.383 -0.387 1.00 0.00 N ATOM 1284 CA ILE A 87 -10.971 -7.402 -1.174 1.00 0.00 C ATOM 1285 C ILE A 87 -10.258 -8.047 -2.365 1.00 0.00 C ATOM 1286 O ILE A 87 -9.063 -7.853 -2.587 1.00 0.00 O ATOM 1287 CB ILE A 87 -9.966 -6.561 -0.322 1.00 0.00 C ATOM 1288 CG1 ILE A 87 -8.834 -7.405 0.268 1.00 0.00 C ATOM 1289 CG2 ILE A 87 -10.700 -5.838 0.796 1.00 0.00 C ATOM 1290 CD1 ILE A 87 -7.783 -6.587 0.981 1.00 0.00 C ATOM 0 H ILE A 87 -12.714 -8.109 -0.247 1.00 0.00 H new ATOM 0 HA ILE A 87 -11.717 -6.705 -1.556 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.512 -5.838 -1.000 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -9.256 -8.128 0.966 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.360 -7.974 -0.532 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.988 -5.256 1.382 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -11.449 -5.171 0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -11.190 -6.568 1.441 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.011 -7.249 1.374 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.334 -5.882 0.281 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.244 -6.039 1.803 1.00 0.00 H new ATOM 1302 N LEU A 88 -11.029 -8.767 -3.173 1.00 0.00 N ATOM 1303 CA LEU A 88 -10.499 -9.448 -4.356 1.00 0.00 C ATOM 1304 C LEU A 88 -10.309 -8.478 -5.523 1.00 0.00 C ATOM 1305 O LEU A 88 -10.185 -8.890 -6.677 1.00 0.00 O ATOM 1306 CB LEU A 88 -11.423 -10.612 -4.743 1.00 0.00 C ATOM 1307 CG LEU A 88 -12.915 -10.274 -4.851 1.00 0.00 C ATOM 1308 CD1 LEU A 88 -13.253 -9.672 -6.206 1.00 0.00 C ATOM 1309 CD2 LEU A 88 -13.750 -11.514 -4.591 1.00 0.00 C ATOM 0 H LEU A 88 -12.031 -8.896 -3.031 1.00 0.00 H new ATOM 0 HA LEU A 88 -9.515 -9.848 -4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -11.090 -11.012 -5.701 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -11.302 -11.407 -4.007 1.00 0.00 H new ATOM 0 HG LEU A 88 -13.149 -9.526 -4.094 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -14.318 -9.445 -6.248 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -12.681 -8.756 -6.350 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -13.003 -10.384 -6.993 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -14.808 -11.263 -4.670 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -13.503 -12.280 -5.326 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -13.540 -11.891 -3.590 1.00 0.00 H new ATOM 1321 N ILE A 89 -10.257 -7.198 -5.172 1.00 0.00 N ATOM 1322 CA ILE A 89 -10.084 -6.079 -6.108 1.00 0.00 C ATOM 1323 C ILE A 89 -11.398 -5.734 -6.804 1.00 0.00 C ATOM 1324 O ILE A 89 -12.202 -6.610 -7.125 1.00 0.00 O ATOM 1325 CB ILE A 89 -8.938 -6.314 -7.145 1.00 0.00 C ATOM 1326 CG1 ILE A 89 -8.051 -5.065 -7.225 1.00 0.00 C ATOM 1327 CG2 ILE A 89 -9.471 -6.672 -8.539 1.00 0.00 C ATOM 1328 CD1 ILE A 89 -6.864 -5.218 -8.153 1.00 0.00 C ATOM 0 H ILE A 89 -10.336 -6.895 -4.201 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.778 -5.223 -5.506 1.00 0.00 H new ATOM 0 HB ILE A 89 -8.353 -7.166 -6.799 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -8.656 -4.222 -7.559 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.690 -4.822 -6.226 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.634 -6.825 -9.220 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -10.062 -7.586 -8.479 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -10.097 -5.860 -8.909 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.284 -4.295 -8.157 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -6.236 -6.039 -7.808 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -7.216 -5.430 -9.162 1.00 0.00 H new ATOM 1340 N LYS A 90 -11.631 -4.441 -6.988 1.00 0.00 N ATOM 1341 CA LYS A 90 -12.844 -3.971 -7.639 1.00 0.00 C ATOM 1342 C LYS A 90 -12.781 -4.302 -9.124 1.00 0.00 C ATOM 1343 O LYS A 90 -13.765 -4.721 -9.733 1.00 0.00 O ATOM 1344 CB LYS A 90 -12.991 -2.463 -7.449 1.00 0.00 C ATOM 1345 CG LYS A 90 -14.433 -1.995 -7.407 1.00 0.00 C ATOM 1346 CD LYS A 90 -15.133 -2.496 -6.153 1.00 0.00 C ATOM 1347 CE LYS A 90 -16.607 -2.117 -6.144 1.00 0.00 C ATOM 1348 NZ LYS A 90 -17.367 -2.812 -7.218 1.00 0.00 N ATOM 0 H LYS A 90 -10.995 -3.700 -6.695 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.706 -4.466 -7.193 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -12.496 -2.172 -6.523 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.475 -1.951 -8.261 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.466 -0.906 -7.436 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -14.961 -2.354 -8.290 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -15.035 -3.580 -6.090 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -14.644 -2.080 -5.272 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -17.039 -2.365 -5.175 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.705 -1.039 -6.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -18.387 -2.705 -7.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -17.125 -2.395 -8.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -17.121 -3.822 -7.219 1.00 0.00 H new ATOM 1362 N ASN A 91 -11.594 -4.106 -9.680 1.00 0.00 N ATOM 1363 CA ASN A 91 -11.281 -4.446 -11.058 1.00 0.00 C ATOM 1364 C ASN A 91 -9.787 -4.255 -11.256 1.00 0.00 C ATOM 1365 O ASN A 91 -9.178 -3.428 -10.577 1.00 0.00 O ATOM 1366 CB ASN A 91 -12.079 -3.597 -12.074 1.00 0.00 C ATOM 1367 CG ASN A 91 -11.712 -2.116 -12.099 1.00 0.00 C ATOM 1368 OD1 ASN A 91 -11.464 -1.528 -10.940 1.00 0.00 O flip ATOM 1369 ND2 ASN A 91 -11.685 -1.499 -13.162 1.00 0.00 N flip ATOM 0 H ASN A 91 -10.807 -3.698 -9.175 1.00 0.00 H new ATOM 0 HA ASN A 91 -11.568 -5.481 -11.241 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -11.927 -4.011 -13.071 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -13.141 -3.690 -11.849 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -11.881 -1.983 -14.038 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -11.466 -0.503 -13.168 1.00 0.00 H new ATOM 1376 N PRO A 92 -9.164 -5.050 -12.136 1.00 0.00 N ATOM 1377 CA PRO A 92 -7.731 -4.928 -12.431 1.00 0.00 C ATOM 1378 C PRO A 92 -7.365 -3.511 -12.867 1.00 0.00 C ATOM 1379 O PRO A 92 -6.301 -2.993 -12.515 1.00 0.00 O ATOM 1380 CB PRO A 92 -7.519 -5.923 -13.575 1.00 0.00 C ATOM 1381 CG PRO A 92 -8.630 -6.907 -13.446 1.00 0.00 C ATOM 1382 CD PRO A 92 -9.799 -6.140 -12.897 1.00 0.00 C ATOM 0 HA PRO A 92 -7.106 -5.132 -11.562 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.547 -5.422 -14.543 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -6.548 -6.412 -13.497 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -8.873 -7.350 -14.412 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -8.352 -7.724 -12.781 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -10.437 -5.756 -13.693 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -10.425 -6.764 -12.259 1.00 0.00 H new ATOM 1390 N GLU A 93 -8.266 -2.903 -13.634 1.00 0.00 N ATOM 1391 CA GLU A 93 -8.162 -1.505 -14.032 1.00 0.00 C ATOM 1392 C GLU A 93 -6.887 -1.246 -14.833 1.00 0.00 C ATOM 1393 O GLU A 93 -6.842 -1.514 -16.036 1.00 0.00 O ATOM 1394 CB GLU A 93 -8.237 -0.593 -12.797 1.00 0.00 C ATOM 1395 CG GLU A 93 -8.216 0.892 -13.117 1.00 0.00 C ATOM 1396 CD GLU A 93 -8.477 1.748 -11.898 1.00 0.00 C ATOM 1397 OE1 GLU A 93 -7.722 1.635 -10.905 1.00 0.00 O ATOM 1398 OE2 GLU A 93 -9.458 2.524 -11.919 1.00 0.00 O ATOM 0 H GLU A 93 -9.095 -3.372 -13.999 1.00 0.00 H new ATOM 0 HA GLU A 93 -9.005 -1.273 -14.683 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -9.149 -0.821 -12.245 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.400 -0.823 -12.138 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -7.248 1.156 -13.542 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.967 1.108 -13.877 1.00 0.00 H new ATOM 1405 N TYR A 94 -5.850 -0.751 -14.167 1.00 0.00 N ATOM 1406 CA TYR A 94 -4.604 -0.407 -14.836 1.00 0.00 C ATOM 1407 C TYR A 94 -3.405 -0.749 -13.969 1.00 0.00 C ATOM 1408 O TYR A 94 -2.320 -0.183 -14.141 1.00 0.00 O ATOM 1409 CB TYR A 94 -4.583 1.077 -15.210 1.00 0.00 C ATOM 1410 CG TYR A 94 -5.504 1.419 -16.360 1.00 0.00 C ATOM 1411 CD1 TYR A 94 -5.129 1.145 -17.669 1.00 0.00 C ATOM 1412 CD2 TYR A 94 -6.748 1.995 -16.139 1.00 0.00 C ATOM 1413 CE1 TYR A 94 -5.966 1.439 -18.727 1.00 0.00 C ATOM 1414 CE2 TYR A 94 -7.592 2.288 -17.192 1.00 0.00 C ATOM 1415 CZ TYR A 94 -7.197 2.011 -18.482 1.00 0.00 C ATOM 1416 OH TYR A 94 -8.039 2.295 -19.533 1.00 0.00 O ATOM 0 H TYR A 94 -5.849 -0.579 -13.162 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.543 -0.998 -15.750 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.866 1.668 -14.339 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.565 1.364 -15.472 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.167 0.694 -17.862 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -7.060 2.217 -15.129 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.659 1.223 -19.740 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.558 2.733 -17.005 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.866 2.694 -19.191 1.00 0.00 H new ATOM 1426 N PHE A 95 -3.591 -1.695 -13.060 1.00 0.00 N ATOM 1427 CA PHE A 95 -2.500 -2.164 -12.233 1.00 0.00 C ATOM 1428 C PHE A 95 -1.569 -2.996 -13.093 1.00 0.00 C ATOM 1429 O PHE A 95 -1.905 -4.108 -13.504 1.00 0.00 O ATOM 1430 CB PHE A 95 -3.014 -2.976 -11.040 1.00 0.00 C ATOM 1431 CG PHE A 95 -1.914 -3.490 -10.154 1.00 0.00 C ATOM 1432 CD1 PHE A 95 -1.160 -2.614 -9.386 1.00 0.00 C ATOM 1433 CD2 PHE A 95 -1.625 -4.844 -10.098 1.00 0.00 C ATOM 1434 CE1 PHE A 95 -0.140 -3.079 -8.580 1.00 0.00 C ATOM 1435 CE2 PHE A 95 -0.604 -5.314 -9.293 1.00 0.00 C ATOM 1436 CZ PHE A 95 0.139 -4.430 -8.533 1.00 0.00 C ATOM 0 H PHE A 95 -4.486 -2.149 -12.880 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.961 -1.309 -11.825 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.687 -2.355 -10.449 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -3.599 -3.819 -11.408 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.374 -1.556 -9.419 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.203 -5.539 -10.689 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.439 -2.386 -7.987 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -0.387 -6.371 -9.258 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.937 -4.796 -7.903 1.00 0.00 H new ATOM 1446 N SER A 96 -0.416 -2.438 -13.393 1.00 0.00 N ATOM 1447 CA SER A 96 0.474 -3.041 -14.360 1.00 0.00 C ATOM 1448 C SER A 96 1.586 -3.830 -13.673 1.00 0.00 C ATOM 1449 O SER A 96 1.887 -3.604 -12.497 1.00 0.00 O ATOM 1450 CB SER A 96 1.063 -1.947 -15.252 1.00 0.00 C ATOM 1451 OG SER A 96 0.040 -1.087 -15.734 1.00 0.00 O ATOM 0 H SER A 96 -0.074 -1.569 -12.982 1.00 0.00 H new ATOM 0 HA SER A 96 -0.094 -3.743 -14.971 1.00 0.00 H new ATOM 0 HB2 SER A 96 1.796 -1.369 -14.690 1.00 0.00 H new ATOM 0 HB3 SER A 96 1.590 -2.400 -16.092 1.00 0.00 H new ATOM 0 HG SER A 96 0.436 -0.393 -16.301 1.00 0.00 H new ATOM 1457 N THR A 97 2.199 -4.743 -14.417 1.00 0.00 N ATOM 1458 CA THR A 97 3.305 -5.541 -13.906 1.00 0.00 C ATOM 1459 C THR A 97 4.497 -4.635 -13.652 1.00 0.00 C ATOM 1460 O THR A 97 5.322 -4.895 -12.786 1.00 0.00 O ATOM 1461 CB THR A 97 3.694 -6.654 -14.903 1.00 0.00 C ATOM 1462 OG1 THR A 97 4.291 -7.760 -14.209 1.00 0.00 O ATOM 1463 CG2 THR A 97 4.660 -6.160 -15.972 1.00 0.00 C ATOM 0 H THR A 97 1.946 -4.949 -15.383 1.00 0.00 H new ATOM 0 HA THR A 97 2.994 -6.016 -12.976 1.00 0.00 H new ATOM 0 HB THR A 97 2.774 -6.971 -15.395 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.864 -7.865 -13.333 1.00 0.00 H new ATOM 0 HG21 THR A 97 4.903 -6.979 -16.649 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.197 -5.350 -16.535 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.572 -5.797 -15.498 1.00 0.00 H new ATOM 1471 N TYR A 98 4.549 -3.568 -14.429 1.00 0.00 N ATOM 1472 CA TYR A 98 5.575 -2.539 -14.284 1.00 0.00 C ATOM 1473 C TYR A 98 5.632 -2.028 -12.841 1.00 0.00 C ATOM 1474 O TYR A 98 6.709 -1.807 -12.291 1.00 0.00 O ATOM 1475 CB TYR A 98 5.283 -1.387 -15.245 1.00 0.00 C ATOM 1476 CG TYR A 98 6.393 -0.367 -15.348 1.00 0.00 C ATOM 1477 CD1 TYR A 98 7.652 -0.732 -15.802 1.00 0.00 C ATOM 1478 CD2 TYR A 98 6.178 0.961 -15.004 1.00 0.00 C ATOM 1479 CE1 TYR A 98 8.668 0.197 -15.911 1.00 0.00 C ATOM 1480 CE2 TYR A 98 7.187 1.897 -15.115 1.00 0.00 C ATOM 1481 CZ TYR A 98 8.432 1.510 -15.568 1.00 0.00 C ATOM 1482 OH TYR A 98 9.440 2.442 -15.690 1.00 0.00 O ATOM 0 H TYR A 98 3.883 -3.386 -15.180 1.00 0.00 H new ATOM 0 HA TYR A 98 6.545 -2.973 -14.526 1.00 0.00 H new ATOM 0 HB2 TYR A 98 5.089 -1.797 -16.236 1.00 0.00 H new ATOM 0 HB3 TYR A 98 4.371 -0.883 -14.924 1.00 0.00 H new ATOM 0 HD1 TYR A 98 7.841 -1.760 -16.075 1.00 0.00 H new ATOM 0 HD2 TYR A 98 5.207 1.266 -14.644 1.00 0.00 H new ATOM 0 HE1 TYR A 98 9.643 -0.105 -16.264 1.00 0.00 H new ATOM 0 HE2 TYR A 98 7.003 2.927 -14.849 1.00 0.00 H new ATOM 0 HH TYR A 98 9.109 3.320 -15.408 1.00 0.00 H new ATOM 1492 N MET A 99 4.463 -1.868 -12.229 1.00 0.00 N ATOM 1493 CA MET A 99 4.376 -1.437 -10.836 1.00 0.00 C ATOM 1494 C MET A 99 4.951 -2.509 -9.920 1.00 0.00 C ATOM 1495 O MET A 99 5.687 -2.211 -8.979 1.00 0.00 O ATOM 1496 CB MET A 99 2.920 -1.153 -10.457 1.00 0.00 C ATOM 1497 CG MET A 99 2.311 0.033 -11.187 1.00 0.00 C ATOM 1498 SD MET A 99 0.522 0.117 -10.987 1.00 0.00 S ATOM 1499 CE MET A 99 0.146 1.632 -11.862 1.00 0.00 C ATOM 0 H MET A 99 3.561 -2.030 -12.676 1.00 0.00 H new ATOM 0 HA MET A 99 4.955 -0.521 -10.718 1.00 0.00 H new ATOM 0 HB2 MET A 99 2.322 -2.040 -10.664 1.00 0.00 H new ATOM 0 HB3 MET A 99 2.863 -0.974 -9.383 1.00 0.00 H new ATOM 0 HG2 MET A 99 2.759 0.954 -10.815 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.553 -0.033 -12.248 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.928 1.817 -11.824 1.00 0.00 H new ATOM 0 HE2 MET A 99 0.674 2.463 -11.394 1.00 0.00 H new ATOM 0 HE3 MET A 99 0.462 1.540 -12.901 1.00 0.00 H new ATOM 1509 N GLN A 100 4.617 -3.760 -10.223 1.00 0.00 N ATOM 1510 CA GLN A 100 5.125 -4.911 -9.482 1.00 0.00 C ATOM 1511 C GLN A 100 6.648 -4.963 -9.550 1.00 0.00 C ATOM 1512 O GLN A 100 7.326 -5.056 -8.524 1.00 0.00 O ATOM 1513 CB GLN A 100 4.556 -6.208 -10.062 1.00 0.00 C ATOM 1514 CG GLN A 100 3.049 -6.338 -9.933 1.00 0.00 C ATOM 1515 CD GLN A 100 2.515 -7.564 -10.647 1.00 0.00 C ATOM 1516 OE1 GLN A 100 3.048 -7.986 -11.676 1.00 0.00 O ATOM 1517 NE2 GLN A 100 1.468 -8.153 -10.099 1.00 0.00 N ATOM 0 H GLN A 100 3.988 -4.005 -10.988 1.00 0.00 H new ATOM 0 HA GLN A 100 4.814 -4.807 -8.443 1.00 0.00 H new ATOM 0 HB2 GLN A 100 4.826 -6.271 -11.116 1.00 0.00 H new ATOM 0 HB3 GLN A 100 5.027 -7.054 -9.561 1.00 0.00 H new ATOM 0 HG2 GLN A 100 2.780 -6.388 -8.878 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.573 -5.446 -10.341 1.00 0.00 H new ATOM 0 HE21 GLN A 100 1.056 -7.772 -9.247 1.00 0.00 H new ATOM 0 HE22 GLN A 100 1.071 -8.989 -10.528 1.00 0.00 H new ATOM 1526 N GLU A 101 7.169 -4.890 -10.772 1.00 0.00 N ATOM 1527 CA GLU A 101 8.602 -4.974 -11.018 1.00 0.00 C ATOM 1528 C GLU A 101 9.349 -3.862 -10.295 1.00 0.00 C ATOM 1529 O GLU A 101 10.403 -4.103 -9.708 1.00 0.00 O ATOM 1530 CB GLU A 101 8.879 -4.913 -12.522 1.00 0.00 C ATOM 1531 CG GLU A 101 8.162 -6.002 -13.309 1.00 0.00 C ATOM 1532 CD GLU A 101 8.343 -5.872 -14.806 1.00 0.00 C ATOM 1533 OE1 GLU A 101 8.403 -4.730 -15.305 1.00 0.00 O ATOM 1534 OE2 GLU A 101 8.397 -6.915 -15.495 1.00 0.00 O ATOM 0 H GLU A 101 6.609 -4.771 -11.616 1.00 0.00 H new ATOM 0 HA GLU A 101 8.961 -5.926 -10.628 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.573 -3.938 -12.902 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.952 -4.999 -12.691 1.00 0.00 H new ATOM 0 HG2 GLU A 101 8.531 -6.976 -12.988 1.00 0.00 H new ATOM 0 HG3 GLU A 101 7.098 -5.971 -13.074 1.00 0.00 H new ATOM 1541 N GLN A 102 8.793 -2.650 -10.328 1.00 0.00 N ATOM 1542 CA GLN A 102 9.371 -1.515 -9.606 1.00 0.00 C ATOM 1543 C GLN A 102 9.520 -1.826 -8.120 1.00 0.00 C ATOM 1544 O GLN A 102 10.614 -1.725 -7.563 1.00 0.00 O ATOM 1545 CB GLN A 102 8.503 -0.265 -9.777 1.00 0.00 C ATOM 1546 CG GLN A 102 8.634 0.401 -11.136 1.00 0.00 C ATOM 1547 CD GLN A 102 7.665 1.552 -11.316 1.00 0.00 C ATOM 1548 OE1 GLN A 102 6.491 1.432 -10.717 1.00 0.00 O flip ATOM 1549 NE2 GLN A 102 7.962 2.533 -11.995 1.00 0.00 N flip ATOM 0 H GLN A 102 7.943 -2.429 -10.847 1.00 0.00 H new ATOM 0 HA GLN A 102 10.359 -1.329 -10.028 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.459 -0.536 -9.616 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.768 0.456 -9.004 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.653 0.766 -11.261 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.462 -0.339 -11.917 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.878 2.587 -12.440 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.292 3.293 -12.113 1.00 0.00 H new ATOM 1558 N LEU A 103 8.419 -2.219 -7.486 1.00 0.00 N ATOM 1559 CA LEU A 103 8.418 -2.510 -6.056 1.00 0.00 C ATOM 1560 C LEU A 103 9.382 -3.651 -5.732 1.00 0.00 C ATOM 1561 O LEU A 103 10.162 -3.567 -4.786 1.00 0.00 O ATOM 1562 CB LEU A 103 7.005 -2.871 -5.582 1.00 0.00 C ATOM 1563 CG LEU A 103 5.956 -1.768 -5.747 1.00 0.00 C ATOM 1564 CD1 LEU A 103 4.584 -2.281 -5.331 1.00 0.00 C ATOM 1565 CD2 LEU A 103 6.344 -0.539 -4.934 1.00 0.00 C ATOM 0 H LEU A 103 7.515 -2.343 -7.941 1.00 0.00 H new ATOM 0 HA LEU A 103 8.750 -1.614 -5.531 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.670 -3.752 -6.129 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.053 -3.149 -4.529 1.00 0.00 H new ATOM 0 HG LEU A 103 5.912 -1.480 -6.797 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.847 -1.488 -5.453 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.309 -3.131 -5.955 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.613 -2.592 -4.287 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.588 0.236 -5.062 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.414 -0.807 -3.880 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.308 -0.165 -5.278 1.00 0.00 H new ATOM 1577 N LYS A 104 9.335 -4.699 -6.542 1.00 0.00 N ATOM 1578 CA LYS A 104 10.179 -5.871 -6.346 1.00 0.00 C ATOM 1579 C LYS A 104 11.653 -5.511 -6.501 1.00 0.00 C ATOM 1580 O LYS A 104 12.500 -5.962 -5.724 1.00 0.00 O ATOM 1581 CB LYS A 104 9.785 -6.958 -7.344 1.00 0.00 C ATOM 1582 CG LYS A 104 10.529 -8.268 -7.161 1.00 0.00 C ATOM 1583 CD LYS A 104 9.932 -9.357 -8.035 1.00 0.00 C ATOM 1584 CE LYS A 104 10.600 -10.702 -7.805 1.00 0.00 C ATOM 1585 NZ LYS A 104 9.876 -11.796 -8.502 1.00 0.00 N ATOM 0 H LYS A 104 8.715 -4.762 -7.349 1.00 0.00 H new ATOM 0 HA LYS A 104 10.032 -6.245 -5.333 1.00 0.00 H new ATOM 0 HB2 LYS A 104 8.715 -7.145 -7.257 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.963 -6.590 -8.354 1.00 0.00 H new ATOM 0 HG2 LYS A 104 11.581 -8.131 -7.411 1.00 0.00 H new ATOM 0 HG3 LYS A 104 10.487 -8.572 -6.115 1.00 0.00 H new ATOM 0 HD2 LYS A 104 8.865 -9.442 -7.830 1.00 0.00 H new ATOM 0 HD3 LYS A 104 10.033 -9.077 -9.083 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.630 -10.663 -8.159 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.638 -10.913 -6.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.358 -12.700 -8.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.900 -11.848 -8.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.862 -11.607 -9.525 1.00 0.00 H new ATOM 1599 N GLU A 105 11.953 -4.692 -7.499 1.00 0.00 N ATOM 1600 CA GLU A 105 13.314 -4.230 -7.724 1.00 0.00 C ATOM 1601 C GLU A 105 13.799 -3.417 -6.533 1.00 0.00 C ATOM 1602 O GLU A 105 14.918 -3.600 -6.064 1.00 0.00 O ATOM 1603 CB GLU A 105 13.388 -3.390 -8.999 1.00 0.00 C ATOM 1604 CG GLU A 105 14.769 -2.819 -9.274 1.00 0.00 C ATOM 1605 CD GLU A 105 14.818 -1.999 -10.541 1.00 0.00 C ATOM 1606 OE1 GLU A 105 14.442 -0.809 -10.499 1.00 0.00 O ATOM 1607 OE2 GLU A 105 15.242 -2.541 -11.586 1.00 0.00 O ATOM 0 H GLU A 105 11.270 -4.334 -8.167 1.00 0.00 H new ATOM 0 HA GLU A 105 13.960 -5.100 -7.841 1.00 0.00 H new ATOM 0 HB2 GLU A 105 13.083 -4.004 -9.846 1.00 0.00 H new ATOM 0 HB3 GLU A 105 12.673 -2.570 -8.926 1.00 0.00 H new ATOM 0 HG2 GLU A 105 15.075 -2.198 -8.432 1.00 0.00 H new ATOM 0 HG3 GLU A 105 15.488 -3.635 -9.346 1.00 0.00 H new ATOM 1614 N LEU A 106 12.938 -2.540 -6.034 1.00 0.00 N ATOM 1615 CA LEU A 106 13.285 -1.682 -4.911 1.00 0.00 C ATOM 1616 C LEU A 106 13.492 -2.486 -3.631 1.00 0.00 C ATOM 1617 O LEU A 106 14.149 -2.022 -2.702 1.00 0.00 O ATOM 1618 CB LEU A 106 12.209 -0.620 -4.708 1.00 0.00 C ATOM 1619 CG LEU A 106 12.050 0.360 -5.870 1.00 0.00 C ATOM 1620 CD1 LEU A 106 10.886 1.296 -5.615 1.00 0.00 C ATOM 1621 CD2 LEU A 106 13.331 1.153 -6.079 1.00 0.00 C ATOM 0 H LEU A 106 11.992 -2.405 -6.391 1.00 0.00 H new ATOM 0 HA LEU A 106 14.229 -1.191 -5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.254 -1.118 -4.537 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.440 -0.056 -3.804 1.00 0.00 H new ATOM 0 HG LEU A 106 11.846 -0.210 -6.776 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.786 1.988 -6.451 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.969 0.716 -5.512 1.00 0.00 H new ATOM 0 HD13 LEU A 106 11.065 1.858 -4.699 1.00 0.00 H new ATOM 0 HD21 LEU A 106 13.199 1.845 -6.910 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.564 1.713 -5.174 1.00 0.00 H new ATOM 0 HD23 LEU A 106 14.150 0.469 -6.303 1.00 0.00 H new ATOM 1633 N VAL A 107 12.927 -3.685 -3.577 1.00 0.00 N ATOM 1634 CA VAL A 107 13.184 -4.593 -2.469 1.00 0.00 C ATOM 1635 C VAL A 107 14.607 -5.143 -2.566 1.00 0.00 C ATOM 1636 O VAL A 107 15.321 -5.241 -1.568 1.00 0.00 O ATOM 1637 CB VAL A 107 12.174 -5.766 -2.440 1.00 0.00 C ATOM 1638 CG1 VAL A 107 12.513 -6.746 -1.326 1.00 0.00 C ATOM 1639 CG2 VAL A 107 10.754 -5.247 -2.268 1.00 0.00 C ATOM 0 H VAL A 107 12.290 -4.050 -4.285 1.00 0.00 H new ATOM 0 HA VAL A 107 13.067 -4.027 -1.545 1.00 0.00 H new ATOM 0 HB VAL A 107 12.241 -6.291 -3.393 1.00 0.00 H new ATOM 0 HG11 VAL A 107 11.789 -7.561 -1.326 1.00 0.00 H new ATOM 0 HG12 VAL A 107 13.513 -7.149 -1.487 1.00 0.00 H new ATOM 0 HG13 VAL A 107 12.480 -6.231 -0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 107 10.059 -6.087 -2.250 1.00 0.00 H new ATOM 0 HG22 VAL A 107 10.680 -4.694 -1.331 1.00 0.00 H new ATOM 0 HG23 VAL A 107 10.504 -4.587 -3.099 1.00 0.00 H new ATOM 1649 N LEU A 108 15.021 -5.471 -3.784 1.00 0.00 N ATOM 1650 CA LEU A 108 16.365 -5.980 -4.028 1.00 0.00 C ATOM 1651 C LEU A 108 17.397 -4.862 -3.884 1.00 0.00 C ATOM 1652 O LEU A 108 18.439 -5.042 -3.250 1.00 0.00 O ATOM 1653 CB LEU A 108 16.450 -6.601 -5.425 1.00 0.00 C ATOM 1654 CG LEU A 108 15.467 -7.745 -5.688 1.00 0.00 C ATOM 1655 CD1 LEU A 108 15.637 -8.273 -7.103 1.00 0.00 C ATOM 1656 CD2 LEU A 108 15.659 -8.862 -4.672 1.00 0.00 C ATOM 0 H LEU A 108 14.443 -5.393 -4.621 1.00 0.00 H new ATOM 0 HA LEU A 108 16.583 -6.749 -3.287 1.00 0.00 H new ATOM 0 HB2 LEU A 108 16.279 -5.819 -6.164 1.00 0.00 H new ATOM 0 HB3 LEU A 108 17.464 -6.971 -5.580 1.00 0.00 H new ATOM 0 HG LEU A 108 14.453 -7.360 -5.582 1.00 0.00 H new ATOM 0 HD11 LEU A 108 14.932 -9.086 -7.275 1.00 0.00 H new ATOM 0 HD12 LEU A 108 15.447 -7.471 -7.816 1.00 0.00 H new ATOM 0 HD13 LEU A 108 16.654 -8.642 -7.234 1.00 0.00 H new ATOM 0 HD21 LEU A 108 14.951 -9.665 -4.876 1.00 0.00 H new ATOM 0 HD22 LEU A 108 16.676 -9.248 -4.743 1.00 0.00 H new ATOM 0 HD23 LEU A 108 15.488 -8.474 -3.668 1.00 0.00 H new ATOM 1668 N GLU A 109 17.083 -3.705 -4.458 1.00 0.00 N ATOM 1669 CA GLU A 109 17.953 -2.536 -4.383 1.00 0.00 C ATOM 1670 C GLU A 109 18.018 -2.003 -2.954 1.00 0.00 C ATOM 1671 O GLU A 109 18.978 -1.337 -2.572 1.00 0.00 O ATOM 1672 CB GLU A 109 17.446 -1.441 -5.327 1.00 0.00 C ATOM 1673 CG GLU A 109 17.490 -1.822 -6.800 1.00 0.00 C ATOM 1674 CD GLU A 109 18.902 -1.945 -7.336 1.00 0.00 C ATOM 1675 OE1 GLU A 109 19.534 -3.000 -7.137 1.00 0.00 O ATOM 1676 OE2 GLU A 109 19.386 -0.980 -7.969 1.00 0.00 O ATOM 0 H GLU A 109 16.224 -3.551 -4.985 1.00 0.00 H new ATOM 0 HA GLU A 109 18.956 -2.834 -4.688 1.00 0.00 H new ATOM 0 HB2 GLU A 109 16.420 -1.191 -5.058 1.00 0.00 H new ATOM 0 HB3 GLU A 109 18.043 -0.542 -5.177 1.00 0.00 H new ATOM 0 HG2 GLU A 109 16.970 -2.769 -6.941 1.00 0.00 H new ATOM 0 HG3 GLU A 109 16.951 -1.073 -7.380 1.00 0.00 H new ATOM 1683 N HIS A 110 16.989 -2.309 -2.168 1.00 0.00 N ATOM 1684 CA HIS A 110 16.940 -1.919 -0.762 1.00 0.00 C ATOM 1685 C HIS A 110 18.154 -2.456 -0.013 1.00 0.00 C ATOM 1686 O HIS A 110 18.680 -1.805 0.884 1.00 0.00 O ATOM 1687 CB HIS A 110 15.647 -2.433 -0.124 1.00 0.00 C ATOM 1688 CG HIS A 110 15.510 -2.137 1.339 1.00 0.00 C ATOM 1689 ND1 HIS A 110 15.306 -0.868 1.837 1.00 0.00 N ATOM 1690 CD2 HIS A 110 15.526 -2.960 2.412 1.00 0.00 C ATOM 1691 CE1 HIS A 110 15.199 -0.929 3.152 1.00 0.00 C ATOM 1692 NE2 HIS A 110 15.326 -2.187 3.525 1.00 0.00 N ATOM 0 H HIS A 110 16.172 -2.830 -2.485 1.00 0.00 H new ATOM 0 HA HIS A 110 16.957 -0.831 -0.700 1.00 0.00 H new ATOM 0 HB2 HIS A 110 14.799 -1.995 -0.650 1.00 0.00 H new ATOM 0 HB3 HIS A 110 15.590 -3.512 -0.270 1.00 0.00 H new ATOM 0 HD2 HIS A 110 15.670 -4.030 2.395 1.00 0.00 H new ATOM 0 HE1 HIS A 110 15.035 -0.089 3.811 1.00 0.00 H new ATOM 0 HE2 HIS A 110 15.282 -2.529 4.485 1.00 0.00 H new