USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 450 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 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 67:sc= 1.14 USER MOD Single : A 31 GLN : amide:sc= 0.188 X(o=0.19,f=-0.016) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 90:sc= -0.0634 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0299) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0.00958 USER MOD Single : A 51 GLN :FLIP amide:sc= -0.107 F(o=-1,f=-0.11) USER MOD Single : A 62 ASN : amide:sc= 0.0785 X(o=0.079,f=0) USER MOD Single : A 69 ASN : amide:sc= 0.436 X(o=0.44,f=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 108 N ILE A 21 7.072 2.573 -1.160 1.00 0.00 N ATOM 109 CA ILE A 21 5.640 2.416 -1.317 1.00 0.00 C ATOM 110 C ILE A 21 4.970 2.154 0.036 1.00 0.00 C ATOM 111 O ILE A 21 3.977 2.812 0.337 1.00 0.00 O ATOM 112 CB ILE A 21 5.368 1.272 -2.301 1.00 0.00 C ATOM 113 CG1 ILE A 21 5.926 1.553 -3.717 1.00 0.00 C ATOM 114 CG2 ILE A 21 3.853 1.026 -2.370 1.00 0.00 C ATOM 115 CD1 ILE A 21 6.050 0.284 -4.573 1.00 0.00 C ATOM 0 HA ILE A 21 5.215 3.337 -1.715 1.00 0.00 H new ATOM 0 HB ILE A 21 5.885 0.386 -1.934 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.275 2.265 -4.224 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.905 2.023 -3.629 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.648 0.214 -3.067 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.483 0.757 -1.381 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.352 1.932 -2.711 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.446 0.544 -5.554 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.724 -0.420 -4.085 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.068 -0.174 -4.688 1.00 0.00 H new ATOM 127 N LEU A 22 5.432 1.177 0.829 1.00 0.00 N ATOM 128 CA LEU A 22 4.856 0.791 2.109 1.00 0.00 C ATOM 129 C LEU A 22 4.659 1.972 3.037 1.00 0.00 C ATOM 130 O LEU A 22 3.629 2.070 3.707 1.00 0.00 O ATOM 131 CB LEU A 22 5.786 -0.242 2.760 1.00 0.00 C ATOM 132 CG LEU A 22 5.256 -1.655 2.539 1.00 0.00 C ATOM 133 CD1 LEU A 22 5.050 -2.100 1.089 1.00 0.00 C ATOM 134 CD2 LEU A 22 6.151 -2.672 3.241 1.00 0.00 C ATOM 0 H LEU A 22 6.248 0.618 0.580 1.00 0.00 H new ATOM 0 HA LEU A 22 3.867 0.369 1.930 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.788 -0.154 2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.870 -0.042 3.828 1.00 0.00 H new ATOM 0 HG LEU A 22 4.255 -1.616 2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.671 -3.122 1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.332 -1.439 0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.000 -2.057 0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.761 -3.676 3.075 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.162 -2.605 2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.170 -2.463 4.311 1.00 0.00 H new ATOM 146 N SER A 23 5.618 2.886 3.026 1.00 0.00 N ATOM 147 CA SER A 23 5.555 4.123 3.798 1.00 0.00 C ATOM 148 C SER A 23 4.286 4.914 3.454 1.00 0.00 C ATOM 149 O SER A 23 3.664 5.513 4.330 1.00 0.00 O ATOM 150 CB SER A 23 6.845 4.902 3.528 1.00 0.00 C ATOM 151 OG SER A 23 7.913 4.112 3.983 1.00 0.00 O ATOM 0 H SER A 23 6.472 2.791 2.476 1.00 0.00 H new ATOM 0 HA SER A 23 5.487 3.920 4.867 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.950 5.114 2.464 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.830 5.862 4.045 1.00 0.00 H new ATOM 0 HG SER A 23 8.758 4.581 3.824 1.00 0.00 H new ATOM 157 N GLY A 24 3.852 4.844 2.193 1.00 0.00 N ATOM 158 CA GLY A 24 2.627 5.431 1.687 1.00 0.00 C ATOM 159 C GLY A 24 1.412 4.578 2.043 1.00 0.00 C ATOM 160 O GLY A 24 0.390 5.121 2.457 1.00 0.00 O ATOM 0 H GLY A 24 4.376 4.351 1.470 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.504 6.432 2.100 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.693 5.538 0.604 1.00 0.00 H new ATOM 164 N ILE A 25 1.489 3.250 1.867 1.00 0.00 N ATOM 165 CA ILE A 25 0.385 2.318 2.142 1.00 0.00 C ATOM 166 C ILE A 25 -0.135 2.522 3.558 1.00 0.00 C ATOM 167 O ILE A 25 -1.341 2.577 3.747 1.00 0.00 O ATOM 168 CB ILE A 25 0.790 0.841 1.914 1.00 0.00 C ATOM 169 CG1 ILE A 25 1.230 0.609 0.455 1.00 0.00 C ATOM 170 CG2 ILE A 25 -0.383 -0.112 2.228 1.00 0.00 C ATOM 171 CD1 ILE A 25 1.518 -0.853 0.091 1.00 0.00 C ATOM 0 H ILE A 25 2.331 2.787 1.525 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.413 2.539 1.433 1.00 0.00 H new ATOM 0 HB ILE A 25 1.621 0.631 2.587 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.452 0.987 -0.208 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.126 1.199 0.263 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.070 -1.142 2.059 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.682 0.010 3.269 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.226 0.122 1.578 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.820 -0.915 -0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.320 -1.234 0.724 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.619 -1.450 0.245 1.00 0.00 H new ATOM 183 N GLU A 26 0.761 2.645 4.524 1.00 0.00 N ATOM 184 CA GLU A 26 0.472 2.817 5.937 1.00 0.00 C ATOM 185 C GLU A 26 -0.494 3.979 6.170 1.00 0.00 C ATOM 186 O GLU A 26 -1.556 3.795 6.773 1.00 0.00 O ATOM 187 CB GLU A 26 1.847 2.974 6.578 1.00 0.00 C ATOM 188 CG GLU A 26 1.950 3.102 8.094 1.00 0.00 C ATOM 189 CD GLU A 26 3.440 2.972 8.405 1.00 0.00 C ATOM 190 OE1 GLU A 26 4.189 3.956 8.252 1.00 0.00 O ATOM 191 OE2 GLU A 26 3.945 1.829 8.534 1.00 0.00 O ATOM 0 H GLU A 26 1.763 2.626 4.332 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.057 1.977 6.388 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.448 2.115 6.280 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.314 3.857 6.142 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.558 4.060 8.436 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.374 2.324 8.595 1.00 0.00 H new ATOM 198 N GLU A 27 -0.166 5.152 5.625 1.00 0.00 N ATOM 199 CA GLU A 27 -0.981 6.344 5.800 1.00 0.00 C ATOM 200 C GLU A 27 -2.174 6.369 4.824 1.00 0.00 C ATOM 201 O GLU A 27 -3.172 7.054 5.087 1.00 0.00 O ATOM 202 CB GLU A 27 -0.074 7.586 5.720 1.00 0.00 C ATOM 203 CG GLU A 27 -0.799 8.821 6.266 1.00 0.00 C ATOM 204 CD GLU A 27 0.133 9.906 6.812 1.00 0.00 C ATOM 205 OE1 GLU A 27 1.095 10.311 6.120 1.00 0.00 O ATOM 206 OE2 GLU A 27 -0.154 10.432 7.916 1.00 0.00 O ATOM 0 H GLU A 27 0.667 5.297 5.055 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.441 6.340 6.788 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.839 7.413 6.289 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.223 7.760 4.686 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.411 9.249 5.472 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.478 8.509 7.059 1.00 0.00 H new ATOM 213 N THR A 28 -2.127 5.584 3.738 1.00 0.00 N ATOM 214 CA THR A 28 -3.278 5.327 2.883 1.00 0.00 C ATOM 215 C THR A 28 -4.309 4.551 3.695 1.00 0.00 C ATOM 216 O THR A 28 -5.404 5.050 3.917 1.00 0.00 O ATOM 217 CB THR A 28 -2.896 4.559 1.598 1.00 0.00 C ATOM 218 OG1 THR A 28 -1.769 5.105 0.945 1.00 0.00 O ATOM 219 CG2 THR A 28 -4.037 4.570 0.576 1.00 0.00 C ATOM 0 H THR A 28 -1.278 5.109 3.432 1.00 0.00 H new ATOM 0 HA THR A 28 -3.693 6.279 2.553 1.00 0.00 H new ATOM 0 HB THR A 28 -2.675 3.547 1.936 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.975 4.986 1.508 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.733 4.021 -0.315 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.919 4.098 1.010 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.273 5.599 0.305 1.00 0.00 H new ATOM 227 N PHE A 29 -3.957 3.354 4.163 1.00 0.00 N ATOM 228 CA PHE A 29 -4.826 2.428 4.867 1.00 0.00 C ATOM 229 C PHE A 29 -5.551 3.175 5.998 1.00 0.00 C ATOM 230 O PHE A 29 -6.784 3.174 6.051 1.00 0.00 O ATOM 231 CB PHE A 29 -3.992 1.212 5.334 1.00 0.00 C ATOM 232 CG PHE A 29 -3.895 0.017 4.379 1.00 0.00 C ATOM 233 CD1 PHE A 29 -3.773 0.184 2.984 1.00 0.00 C ATOM 234 CD2 PHE A 29 -3.903 -1.296 4.896 1.00 0.00 C ATOM 235 CE1 PHE A 29 -3.660 -0.936 2.136 1.00 0.00 C ATOM 236 CE2 PHE A 29 -3.777 -2.414 4.046 1.00 0.00 C ATOM 237 CZ PHE A 29 -3.645 -2.244 2.656 1.00 0.00 C ATOM 0 H PHE A 29 -3.010 2.991 4.053 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.607 2.032 4.218 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.980 1.558 5.545 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.411 0.858 6.276 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.766 1.178 2.562 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.007 -1.447 5.960 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.584 -0.788 1.069 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.782 -3.409 4.466 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.535 -3.097 2.003 1.00 0.00 H new ATOM 247 N ALA A 30 -4.811 3.916 6.825 1.00 0.00 N ATOM 248 CA ALA A 30 -5.372 4.671 7.939 1.00 0.00 C ATOM 249 C ALA A 30 -6.382 5.757 7.535 1.00 0.00 C ATOM 250 O ALA A 30 -7.311 6.025 8.298 1.00 0.00 O ATOM 251 CB ALA A 30 -4.225 5.300 8.721 1.00 0.00 C ATOM 0 H ALA A 30 -3.799 4.007 6.737 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.938 3.963 8.544 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.626 5.870 9.559 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.567 4.516 9.096 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.661 5.965 8.067 1.00 0.00 H new ATOM 257 N GLN A 31 -6.269 6.377 6.353 1.00 0.00 N ATOM 258 CA GLN A 31 -7.230 7.381 5.870 1.00 0.00 C ATOM 259 C GLN A 31 -8.619 6.798 5.623 1.00 0.00 C ATOM 260 O GLN A 31 -9.594 7.541 5.486 1.00 0.00 O ATOM 261 CB GLN A 31 -6.693 8.030 4.579 1.00 0.00 C ATOM 262 CG GLN A 31 -6.289 9.484 4.866 1.00 0.00 C ATOM 263 CD GLN A 31 -5.276 10.102 3.909 1.00 0.00 C ATOM 264 OE1 GLN A 31 -5.555 11.105 3.254 1.00 0.00 O ATOM 265 NE2 GLN A 31 -4.060 9.583 3.871 1.00 0.00 N ATOM 0 H GLN A 31 -5.506 6.196 5.701 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.337 8.132 6.653 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.835 7.470 4.207 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.455 8.000 3.800 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.189 10.098 4.856 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.881 9.533 5.876 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.843 8.751 4.420 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.339 10.015 3.293 1.00 0.00 H new ATOM 274 N PHE A 32 -8.715 5.474 5.576 1.00 0.00 N ATOM 275 CA PHE A 32 -9.936 4.742 5.326 1.00 0.00 C ATOM 276 C PHE A 32 -10.163 3.703 6.431 1.00 0.00 C ATOM 277 O PHE A 32 -10.950 2.774 6.259 1.00 0.00 O ATOM 278 CB PHE A 32 -9.846 4.143 3.926 1.00 0.00 C ATOM 279 CG PHE A 32 -9.566 5.135 2.810 1.00 0.00 C ATOM 280 CD1 PHE A 32 -10.637 5.805 2.200 1.00 0.00 C ATOM 281 CD2 PHE A 32 -8.252 5.367 2.351 1.00 0.00 C ATOM 282 CE1 PHE A 32 -10.399 6.676 1.127 1.00 0.00 C ATOM 283 CE2 PHE A 32 -8.008 6.248 1.284 1.00 0.00 C ATOM 284 CZ PHE A 32 -9.087 6.913 0.681 1.00 0.00 C ATOM 0 H PHE A 32 -7.910 4.864 5.717 1.00 0.00 H new ATOM 0 HA PHE A 32 -10.809 5.393 5.354 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -9.061 3.387 3.922 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.783 3.631 3.707 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.645 5.650 2.557 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.424 4.861 2.825 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.228 7.168 0.640 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.000 6.412 0.931 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.909 7.608 -0.127 1.00 0.00 H new ATOM 294 N SER A 33 -9.479 3.849 7.573 1.00 0.00 N ATOM 295 CA SER A 33 -9.647 3.031 8.772 1.00 0.00 C ATOM 296 C SER A 33 -9.241 1.567 8.532 1.00 0.00 C ATOM 297 O SER A 33 -9.693 0.659 9.243 1.00 0.00 O ATOM 298 CB SER A 33 -11.098 3.175 9.272 1.00 0.00 C ATOM 299 OG SER A 33 -11.154 3.454 10.654 1.00 0.00 O ATOM 0 H SER A 33 -8.766 4.570 7.687 1.00 0.00 H new ATOM 0 HA SER A 33 -8.975 3.388 9.552 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.594 3.973 8.720 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.646 2.256 9.065 1.00 0.00 H new ATOM 0 HG SER A 33 -12.090 3.540 10.933 1.00 0.00 H new ATOM 305 N ILE A 34 -8.425 1.325 7.509 1.00 0.00 N ATOM 306 CA ILE A 34 -7.998 -0.003 7.120 1.00 0.00 C ATOM 307 C ILE A 34 -6.835 -0.325 8.060 1.00 0.00 C ATOM 308 O ILE A 34 -5.871 0.438 8.102 1.00 0.00 O ATOM 309 CB ILE A 34 -7.571 -0.054 5.643 1.00 0.00 C ATOM 310 CG1 ILE A 34 -8.618 0.584 4.704 1.00 0.00 C ATOM 311 CG2 ILE A 34 -7.317 -1.521 5.246 1.00 0.00 C ATOM 312 CD1 ILE A 34 -8.052 0.911 3.322 1.00 0.00 C ATOM 0 H ILE A 34 -8.039 2.064 6.921 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.803 -0.733 7.203 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.657 0.530 5.534 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.463 -0.096 4.594 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -9.000 1.497 5.160 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.014 -1.568 4.200 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.527 -1.936 5.872 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.231 -2.099 5.385 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.832 1.357 2.705 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.225 1.613 3.424 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.695 -0.004 2.849 1.00 0.00 H new ATOM 324 N PRO A 35 -6.892 -1.417 8.828 1.00 0.00 N ATOM 325 CA PRO A 35 -5.849 -1.752 9.773 1.00 0.00 C ATOM 326 C PRO A 35 -4.605 -2.221 9.020 1.00 0.00 C ATOM 327 O PRO A 35 -4.521 -3.351 8.529 1.00 0.00 O ATOM 328 CB PRO A 35 -6.463 -2.823 10.661 1.00 0.00 C ATOM 329 CG PRO A 35 -7.461 -3.523 9.738 1.00 0.00 C ATOM 330 CD PRO A 35 -7.959 -2.393 8.855 1.00 0.00 C ATOM 0 HA PRO A 35 -5.514 -0.911 10.380 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.709 -3.515 11.035 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.957 -2.389 11.531 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.987 -4.312 9.155 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.273 -3.986 10.298 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.187 -2.752 7.851 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.876 -1.959 9.254 1.00 0.00 H new ATOM 338 N TYR A 36 -3.605 -1.353 8.956 1.00 0.00 N ATOM 339 CA TYR A 36 -2.297 -1.675 8.415 1.00 0.00 C ATOM 340 C TYR A 36 -1.610 -2.651 9.374 1.00 0.00 C ATOM 341 O TYR A 36 -1.824 -2.601 10.587 1.00 0.00 O ATOM 342 CB TYR A 36 -1.507 -0.376 8.209 1.00 0.00 C ATOM 343 CG TYR A 36 -0.172 -0.558 7.515 1.00 0.00 C ATOM 344 CD1 TYR A 36 -0.079 -0.570 6.111 1.00 0.00 C ATOM 345 CD2 TYR A 36 0.992 -0.685 8.287 1.00 0.00 C ATOM 346 CE1 TYR A 36 1.183 -0.674 5.493 1.00 0.00 C ATOM 347 CE2 TYR A 36 2.247 -0.834 7.678 1.00 0.00 C ATOM 348 CZ TYR A 36 2.350 -0.801 6.271 1.00 0.00 C ATOM 349 OH TYR A 36 3.559 -0.852 5.650 1.00 0.00 O ATOM 0 H TYR A 36 -3.684 -0.391 9.284 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.367 -2.160 7.442 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.115 0.316 7.626 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.337 0.090 9.180 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.973 -0.500 5.509 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.921 -0.668 9.365 1.00 0.00 H new ATOM 0 HE1 TYR A 36 1.256 -0.656 4.416 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.130 -0.973 8.283 1.00 0.00 H new ATOM 0 HH TYR A 36 3.915 0.056 5.552 1.00 0.00 H new ATOM 359 N ASP A 37 -0.829 -3.570 8.824 1.00 0.00 N ATOM 360 CA ASP A 37 0.068 -4.501 9.510 1.00 0.00 C ATOM 361 C ASP A 37 1.274 -4.551 8.592 1.00 0.00 C ATOM 362 O ASP A 37 1.127 -4.973 7.440 1.00 0.00 O ATOM 363 CB ASP A 37 -0.480 -5.945 9.611 1.00 0.00 C ATOM 364 CG ASP A 37 -1.216 -6.348 10.884 1.00 0.00 C ATOM 365 OD1 ASP A 37 -0.766 -6.004 12.003 1.00 0.00 O ATOM 366 OD2 ASP A 37 -2.114 -7.214 10.770 1.00 0.00 O ATOM 0 H ASP A 37 -0.801 -3.697 7.812 1.00 0.00 H new ATOM 0 HA ASP A 37 0.242 -4.167 10.533 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.156 -6.104 8.771 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.358 -6.629 9.480 1.00 0.00 H new ATOM 371 N LYS A 38 2.446 -4.126 9.071 1.00 0.00 N ATOM 372 CA LYS A 38 3.675 -4.143 8.283 1.00 0.00 C ATOM 373 C LYS A 38 3.876 -5.528 7.659 1.00 0.00 C ATOM 374 O LYS A 38 4.022 -5.614 6.441 1.00 0.00 O ATOM 375 CB LYS A 38 4.847 -3.680 9.173 1.00 0.00 C ATOM 376 CG LYS A 38 6.173 -3.464 8.426 1.00 0.00 C ATOM 377 CD LYS A 38 6.148 -2.352 7.373 1.00 0.00 C ATOM 378 CE LYS A 38 5.861 -0.956 7.948 1.00 0.00 C ATOM 379 NZ LYS A 38 7.019 -0.275 8.565 1.00 0.00 N ATOM 0 H LYS A 38 2.567 -3.761 10.016 1.00 0.00 H new ATOM 0 HA LYS A 38 3.617 -3.446 7.447 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.566 -2.748 9.665 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.004 -4.420 9.958 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.951 -3.236 9.155 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.455 -4.398 7.940 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.108 -2.331 6.858 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.390 -2.589 6.626 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.473 -0.325 7.148 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.072 -1.044 8.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.724 0.656 8.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.380 -0.849 9.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.768 -0.152 7.855 1.00 0.00 H new ATOM 393 N GLU A 39 3.813 -6.607 8.449 1.00 0.00 N ATOM 394 CA GLU A 39 3.924 -7.973 7.944 1.00 0.00 C ATOM 395 C GLU A 39 2.896 -8.258 6.850 1.00 0.00 C ATOM 396 O GLU A 39 3.272 -8.734 5.786 1.00 0.00 O ATOM 397 CB GLU A 39 3.755 -9.032 9.050 1.00 0.00 C ATOM 398 CG GLU A 39 5.023 -9.354 9.848 1.00 0.00 C ATOM 399 CD GLU A 39 5.068 -10.839 10.220 1.00 0.00 C ATOM 400 OE1 GLU A 39 5.600 -11.650 9.428 1.00 0.00 O ATOM 401 OE2 GLU A 39 4.461 -11.237 11.240 1.00 0.00 O ATOM 0 H GLU A 39 3.683 -6.553 9.459 1.00 0.00 H new ATOM 0 HA GLU A 39 4.932 -8.045 7.536 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.986 -8.690 9.743 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.388 -9.952 8.596 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.904 -9.095 9.260 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.053 -8.747 10.753 1.00 0.00 H new ATOM 408 N LYS A 40 1.595 -8.054 7.097 1.00 0.00 N ATOM 409 CA LYS A 40 0.583 -8.547 6.158 1.00 0.00 C ATOM 410 C LYS A 40 0.654 -7.811 4.827 1.00 0.00 C ATOM 411 O LYS A 40 0.339 -8.396 3.792 1.00 0.00 O ATOM 412 CB LYS A 40 -0.832 -8.407 6.720 1.00 0.00 C ATOM 413 CG LYS A 40 -1.031 -8.957 8.132 1.00 0.00 C ATOM 414 CD LYS A 40 -0.713 -10.434 8.347 1.00 0.00 C ATOM 415 CE LYS A 40 0.635 -10.549 9.064 1.00 0.00 C ATOM 416 NZ LYS A 40 0.817 -11.900 9.643 1.00 0.00 N ATOM 0 H LYS A 40 1.228 -7.566 7.914 1.00 0.00 H new ATOM 0 HA LYS A 40 0.802 -9.604 6.003 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.104 -7.351 6.717 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.524 -8.916 6.049 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.412 -8.374 8.814 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.069 -8.788 8.419 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.497 -10.907 8.939 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.678 -10.956 7.391 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.443 -10.339 8.363 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.695 -9.800 9.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.738 -11.951 10.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.058 -12.089 10.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.782 -12.610 8.884 1.00 0.00 H new ATOM 430 N VAL A 41 1.033 -6.537 4.842 1.00 0.00 N ATOM 431 CA VAL A 41 1.271 -5.773 3.634 1.00 0.00 C ATOM 432 C VAL A 41 2.506 -6.339 2.929 1.00 0.00 C ATOM 433 O VAL A 41 2.388 -6.701 1.759 1.00 0.00 O ATOM 434 CB VAL A 41 1.343 -4.284 4.017 1.00 0.00 C ATOM 435 CG1 VAL A 41 1.948 -3.411 2.918 1.00 0.00 C ATOM 436 CG2 VAL A 41 -0.087 -3.805 4.327 1.00 0.00 C ATOM 0 H VAL A 41 1.183 -6.007 5.701 1.00 0.00 H new ATOM 0 HA VAL A 41 0.464 -5.855 2.906 1.00 0.00 H new ATOM 0 HB VAL A 41 1.998 -4.188 4.883 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.971 -2.373 3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.963 -3.746 2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.342 -3.491 2.015 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.066 -2.750 4.602 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.714 -3.938 3.445 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.495 -4.387 5.153 1.00 0.00 H new ATOM 446 N ARG A 42 3.655 -6.452 3.613 1.00 0.00 N ATOM 447 CA ARG A 42 4.900 -6.995 3.052 1.00 0.00 C ATOM 448 C ARG A 42 4.678 -8.360 2.419 1.00 0.00 C ATOM 449 O ARG A 42 5.144 -8.612 1.311 1.00 0.00 O ATOM 450 CB ARG A 42 5.962 -7.135 4.151 1.00 0.00 C ATOM 451 CG ARG A 42 6.576 -5.808 4.587 1.00 0.00 C ATOM 452 CD ARG A 42 7.475 -6.105 5.785 1.00 0.00 C ATOM 453 NE ARG A 42 8.438 -5.031 6.064 1.00 0.00 N ATOM 454 CZ ARG A 42 9.558 -4.804 5.371 1.00 0.00 C ATOM 455 NH1 ARG A 42 9.789 -5.427 4.221 1.00 0.00 N ATOM 456 NH2 ARG A 42 10.450 -3.945 5.834 1.00 0.00 N ATOM 0 H ARG A 42 3.746 -6.164 4.587 1.00 0.00 H new ATOM 0 HA ARG A 42 5.239 -6.298 2.285 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.512 -7.619 5.018 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.755 -7.792 3.795 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.151 -5.363 3.774 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.798 -5.093 4.856 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.854 -6.266 6.666 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.017 -7.033 5.603 1.00 0.00 H new ATOM 0 HE ARG A 42 8.236 -4.410 6.848 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.106 -6.090 3.854 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.649 -5.242 3.705 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.281 -3.460 6.715 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.307 -3.767 5.310 1.00 0.00 H new ATOM 470 N GLU A 43 3.978 -9.248 3.115 1.00 0.00 N ATOM 471 CA GLU A 43 3.674 -10.581 2.633 1.00 0.00 C ATOM 472 C GLU A 43 2.831 -10.481 1.357 1.00 0.00 C ATOM 473 O GLU A 43 3.160 -11.112 0.356 1.00 0.00 O ATOM 474 CB GLU A 43 2.977 -11.363 3.757 1.00 0.00 C ATOM 475 CG GLU A 43 2.795 -12.855 3.453 1.00 0.00 C ATOM 476 CD GLU A 43 4.103 -13.618 3.207 1.00 0.00 C ATOM 477 OE1 GLU A 43 5.150 -13.299 3.816 1.00 0.00 O ATOM 478 OE2 GLU A 43 4.095 -14.593 2.416 1.00 0.00 O ATOM 0 H GLU A 43 3.602 -9.055 4.043 1.00 0.00 H new ATOM 0 HA GLU A 43 4.581 -11.125 2.369 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.557 -11.257 4.674 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.000 -10.918 3.944 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.268 -13.321 4.286 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.158 -12.959 2.575 1.00 0.00 H new ATOM 485 N PHE A 44 1.769 -9.669 1.369 1.00 0.00 N ATOM 486 CA PHE A 44 0.852 -9.535 0.247 1.00 0.00 C ATOM 487 C PHE A 44 1.556 -9.005 -1.002 1.00 0.00 C ATOM 488 O PHE A 44 1.461 -9.617 -2.066 1.00 0.00 O ATOM 489 CB PHE A 44 -0.331 -8.644 0.644 1.00 0.00 C ATOM 490 CG PHE A 44 -1.446 -8.637 -0.379 1.00 0.00 C ATOM 491 CD1 PHE A 44 -1.274 -7.985 -1.612 1.00 0.00 C ATOM 492 CD2 PHE A 44 -2.652 -9.312 -0.117 1.00 0.00 C ATOM 493 CE1 PHE A 44 -2.244 -8.116 -2.614 1.00 0.00 C ATOM 494 CE2 PHE A 44 -3.673 -9.338 -1.084 1.00 0.00 C ATOM 495 CZ PHE A 44 -3.466 -8.742 -2.340 1.00 0.00 C ATOM 0 H PHE A 44 1.525 -9.084 2.168 1.00 0.00 H new ATOM 0 HA PHE A 44 0.474 -10.526 -0.005 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.728 -8.984 1.601 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.025 -7.624 0.790 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.394 -7.383 -1.787 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.794 -9.812 0.830 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.048 -7.732 -3.604 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.616 -9.816 -0.862 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.244 -8.767 -3.089 1.00 0.00 H new ATOM 505 N ILE A 45 2.246 -7.863 -0.918 1.00 0.00 N ATOM 506 CA ILE A 45 2.899 -7.269 -2.086 1.00 0.00 C ATOM 507 C ILE A 45 3.914 -8.243 -2.707 1.00 0.00 C ATOM 508 O ILE A 45 4.017 -8.315 -3.931 1.00 0.00 O ATOM 509 CB ILE A 45 3.524 -5.894 -1.753 1.00 0.00 C ATOM 510 CG1 ILE A 45 4.472 -5.930 -0.534 1.00 0.00 C ATOM 511 CG2 ILE A 45 2.409 -4.860 -1.509 1.00 0.00 C ATOM 512 CD1 ILE A 45 5.755 -5.132 -0.701 1.00 0.00 C ATOM 0 H ILE A 45 2.366 -7.333 -0.055 1.00 0.00 H new ATOM 0 HA ILE A 45 2.134 -7.083 -2.840 1.00 0.00 H new ATOM 0 HB ILE A 45 4.129 -5.611 -2.614 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.936 -5.552 0.337 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.731 -6.968 -0.323 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.854 -3.893 -1.275 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.795 -4.769 -2.405 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.788 -5.185 -0.674 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.356 -5.216 0.204 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.318 -5.522 -1.549 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.511 -4.084 -0.879 1.00 0.00 H new ATOM 524 N PHE A 46 4.604 -9.046 -1.892 1.00 0.00 N ATOM 525 CA PHE A 46 5.564 -10.053 -2.340 1.00 0.00 C ATOM 526 C PHE A 46 4.904 -11.277 -2.972 1.00 0.00 C ATOM 527 O PHE A 46 5.588 -12.069 -3.626 1.00 0.00 O ATOM 528 CB PHE A 46 6.402 -10.496 -1.137 1.00 0.00 C ATOM 529 CG PHE A 46 7.712 -9.730 -0.978 1.00 0.00 C ATOM 530 CD1 PHE A 46 7.765 -8.337 -1.193 1.00 0.00 C ATOM 531 CD2 PHE A 46 8.898 -10.410 -0.640 1.00 0.00 C ATOM 532 CE1 PHE A 46 8.984 -7.643 -1.109 1.00 0.00 C ATOM 533 CE2 PHE A 46 10.115 -9.714 -0.534 1.00 0.00 C ATOM 534 CZ PHE A 46 10.162 -8.332 -0.782 1.00 0.00 C ATOM 0 H PHE A 46 4.506 -9.011 -0.877 1.00 0.00 H new ATOM 0 HA PHE A 46 6.181 -9.595 -3.113 1.00 0.00 H new ATOM 0 HB2 PHE A 46 5.810 -10.375 -0.230 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.624 -11.559 -1.233 1.00 0.00 H new ATOM 0 HD1 PHE A 46 6.858 -7.798 -1.425 1.00 0.00 H new ATOM 0 HD2 PHE A 46 8.872 -11.475 -0.461 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.014 -6.580 -1.296 1.00 0.00 H new ATOM 0 HE2 PHE A 46 11.016 -10.243 -0.261 1.00 0.00 H new ATOM 0 HZ PHE A 46 11.101 -7.802 -0.721 1.00 0.00 H new ATOM 544 N LYS A 47 3.607 -11.473 -2.754 1.00 0.00 N ATOM 545 CA LYS A 47 2.840 -12.576 -3.309 1.00 0.00 C ATOM 546 C LYS A 47 2.095 -12.134 -4.564 1.00 0.00 C ATOM 547 O LYS A 47 1.914 -12.967 -5.450 1.00 0.00 O ATOM 548 CB LYS A 47 1.838 -13.042 -2.252 1.00 0.00 C ATOM 549 CG LYS A 47 2.429 -13.958 -1.175 1.00 0.00 C ATOM 550 CD LYS A 47 1.388 -14.180 -0.063 1.00 0.00 C ATOM 551 CE LYS A 47 0.362 -15.281 -0.362 1.00 0.00 C ATOM 552 NZ LYS A 47 0.972 -16.623 -0.331 1.00 0.00 N ATOM 0 H LYS A 47 3.048 -10.850 -2.170 1.00 0.00 H new ATOM 0 HA LYS A 47 3.513 -13.389 -3.582 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.406 -12.166 -1.768 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.022 -13.567 -2.749 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.718 -14.913 -1.613 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.332 -13.512 -0.759 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.910 -14.429 0.861 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.857 -13.244 0.112 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.446 -15.232 0.368 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.083 -15.107 -1.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.225 -17.345 -0.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.617 -16.730 -1.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.505 -16.742 0.554 1.00 0.00 H new ATOM 566 N TYR A 48 1.658 -10.873 -4.664 1.00 0.00 N ATOM 567 CA TYR A 48 0.759 -10.439 -5.734 1.00 0.00 C ATOM 568 C TYR A 48 1.243 -9.138 -6.375 1.00 0.00 C ATOM 569 O TYR A 48 1.996 -9.185 -7.347 1.00 0.00 O ATOM 570 CB TYR A 48 -0.672 -10.309 -5.173 1.00 0.00 C ATOM 571 CG TYR A 48 -1.203 -11.567 -4.519 1.00 0.00 C ATOM 572 CD1 TYR A 48 -1.714 -12.598 -5.321 1.00 0.00 C ATOM 573 CD2 TYR A 48 -1.157 -11.721 -3.120 1.00 0.00 C ATOM 574 CE1 TYR A 48 -2.182 -13.782 -4.734 1.00 0.00 C ATOM 575 CE2 TYR A 48 -1.599 -12.914 -2.523 1.00 0.00 C ATOM 576 CZ TYR A 48 -2.117 -13.948 -3.337 1.00 0.00 C ATOM 577 OH TYR A 48 -2.540 -15.114 -2.781 1.00 0.00 O ATOM 0 H TYR A 48 1.916 -10.133 -4.011 1.00 0.00 H new ATOM 0 HA TYR A 48 0.755 -11.188 -6.526 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -0.691 -9.499 -4.444 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.343 -10.024 -5.984 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.747 -12.479 -6.394 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.780 -10.919 -2.503 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.592 -14.566 -5.353 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.544 -13.040 -1.452 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.429 -15.072 -1.808 1.00 0.00 H new ATOM 587 N SER A 49 0.868 -7.984 -5.817 1.00 0.00 N ATOM 588 CA SER A 49 1.106 -6.652 -6.352 1.00 0.00 C ATOM 589 C SER A 49 0.437 -5.653 -5.410 1.00 0.00 C ATOM 590 O SER A 49 -0.500 -5.988 -4.681 1.00 0.00 O ATOM 591 CB SER A 49 0.514 -6.534 -7.774 1.00 0.00 C ATOM 592 OG SER A 49 0.500 -5.203 -8.254 1.00 0.00 O ATOM 0 H SER A 49 0.363 -7.959 -4.931 1.00 0.00 H new ATOM 0 HA SER A 49 2.175 -6.451 -6.421 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.094 -7.155 -8.457 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.503 -6.926 -7.773 1.00 0.00 H new ATOM 0 HG SER A 49 0.118 -5.185 -9.156 1.00 0.00 H new ATOM 598 N VAL A 50 0.885 -4.403 -5.460 1.00 0.00 N ATOM 599 CA VAL A 50 0.220 -3.260 -4.844 1.00 0.00 C ATOM 600 C VAL A 50 -1.180 -3.005 -5.401 1.00 0.00 C ATOM 601 O VAL A 50 -2.113 -2.711 -4.658 1.00 0.00 O ATOM 602 CB VAL A 50 1.096 -2.021 -4.861 1.00 0.00 C ATOM 603 CG1 VAL A 50 2.427 -2.234 -4.134 1.00 0.00 C ATOM 604 CG2 VAL A 50 1.304 -1.586 -6.271 1.00 0.00 C ATOM 0 H VAL A 50 1.746 -4.150 -5.944 1.00 0.00 H new ATOM 0 HA VAL A 50 0.067 -3.522 -3.797 1.00 0.00 H new ATOM 0 HB VAL A 50 0.582 -1.231 -4.313 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.015 -1.317 -4.176 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.235 -2.495 -3.093 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.979 -3.042 -4.615 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.933 -0.696 -6.288 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.791 -2.385 -6.830 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.341 -1.358 -6.727 1.00 0.00 H new ATOM 614 N GLN A 51 -1.319 -3.108 -6.719 1.00 0.00 N ATOM 615 CA GLN A 51 -2.590 -2.928 -7.407 1.00 0.00 C ATOM 616 C GLN A 51 -3.573 -3.971 -6.896 1.00 0.00 C ATOM 617 O GLN A 51 -4.704 -3.628 -6.570 1.00 0.00 O ATOM 618 CB GLN A 51 -2.396 -3.013 -8.932 1.00 0.00 C ATOM 619 CG GLN A 51 -3.714 -2.908 -9.723 1.00 0.00 C ATOM 620 CD GLN A 51 -4.307 -4.268 -10.106 1.00 0.00 C ATOM 621 OE1 GLN A 51 -5.232 -4.790 -9.325 1.00 0.00 O flip ATOM 622 NE2 GLN A 51 -3.929 -4.849 -11.123 1.00 0.00 N flip ATOM 0 H GLN A 51 -0.543 -3.321 -7.345 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.994 -1.937 -7.198 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.725 -2.215 -9.251 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.908 -3.956 -9.177 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.443 -2.357 -9.128 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.539 -2.328 -10.629 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.212 -4.428 -11.714 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.333 -5.751 -11.375 1.00 0.00 H new ATOM 631 N ASP A 52 -3.153 -5.234 -6.835 1.00 0.00 N ATOM 632 CA ASP A 52 -4.031 -6.320 -6.402 1.00 0.00 C ATOM 633 C ASP A 52 -4.388 -6.126 -4.933 1.00 0.00 C ATOM 634 O ASP A 52 -5.534 -6.350 -4.560 1.00 0.00 O ATOM 635 CB ASP A 52 -3.375 -7.684 -6.674 1.00 0.00 C ATOM 636 CG ASP A 52 -4.386 -8.729 -7.152 1.00 0.00 C ATOM 637 OD1 ASP A 52 -4.812 -8.655 -8.327 1.00 0.00 O ATOM 638 OD2 ASP A 52 -4.679 -9.686 -6.405 1.00 0.00 O ATOM 0 H ASP A 52 -2.208 -5.531 -7.080 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.958 -6.300 -6.976 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.595 -7.566 -7.426 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.890 -8.040 -5.765 1.00 0.00 H new ATOM 643 N LEU A 53 -3.454 -5.599 -4.123 1.00 0.00 N ATOM 644 CA LEU A 53 -3.707 -5.282 -2.718 1.00 0.00 C ATOM 645 C LEU A 53 -4.819 -4.241 -2.634 1.00 0.00 C ATOM 646 O LEU A 53 -5.821 -4.458 -1.963 1.00 0.00 O ATOM 647 CB LEU A 53 -2.387 -4.840 -2.040 1.00 0.00 C ATOM 648 CG LEU A 53 -2.392 -4.549 -0.516 1.00 0.00 C ATOM 649 CD1 LEU A 53 -2.276 -3.048 -0.334 1.00 0.00 C ATOM 650 CD2 LEU A 53 -3.458 -5.282 0.290 1.00 0.00 C ATOM 0 H LEU A 53 -2.505 -5.383 -4.429 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.053 -6.159 -2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.644 -5.616 -2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.041 -3.939 -2.547 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.519 -5.002 -0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.277 -2.809 0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.347 -2.698 -0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.121 -2.557 -0.817 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.372 -5.007 1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.446 -5.006 -0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.319 -6.358 0.184 1.00 0.00 H new ATOM 662 N LEU A 54 -4.669 -3.110 -3.318 1.00 0.00 N ATOM 663 CA LEU A 54 -5.625 -2.020 -3.195 1.00 0.00 C ATOM 664 C LEU A 54 -6.976 -2.361 -3.832 1.00 0.00 C ATOM 665 O LEU A 54 -7.980 -1.872 -3.316 1.00 0.00 O ATOM 666 CB LEU A 54 -5.038 -0.714 -3.760 1.00 0.00 C ATOM 667 CG LEU A 54 -3.821 -0.200 -2.961 1.00 0.00 C ATOM 668 CD1 LEU A 54 -3.152 0.977 -3.675 1.00 0.00 C ATOM 669 CD2 LEU A 54 -4.184 0.224 -1.533 1.00 0.00 C ATOM 0 H LEU A 54 -3.897 -2.927 -3.960 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.817 -1.869 -2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.743 -0.874 -4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.812 0.053 -3.764 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.128 -1.039 -2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.298 1.319 -3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.813 0.659 -4.661 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.868 1.792 -3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.289 0.576 -1.020 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.922 1.026 -1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.599 -0.628 -0.995 1.00 0.00 H new ATOM 681 N VAL A 55 -7.039 -3.201 -4.876 1.00 0.00 N ATOM 682 CA VAL A 55 -8.318 -3.706 -5.384 1.00 0.00 C ATOM 683 C VAL A 55 -8.998 -4.536 -4.307 1.00 0.00 C ATOM 684 O VAL A 55 -10.120 -4.216 -3.926 1.00 0.00 O ATOM 685 CB VAL A 55 -8.183 -4.497 -6.703 1.00 0.00 C ATOM 686 CG1 VAL A 55 -9.501 -5.187 -7.096 1.00 0.00 C ATOM 687 CG2 VAL A 55 -7.817 -3.545 -7.843 1.00 0.00 C ATOM 0 H VAL A 55 -6.221 -3.542 -5.381 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.938 -2.843 -5.627 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.411 -5.249 -6.543 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.362 -5.732 -8.030 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.796 -5.882 -6.310 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.280 -4.436 -7.227 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.723 -4.108 -8.771 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.597 -2.792 -7.953 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.869 -3.055 -7.618 1.00 0.00 H new ATOM 697 N ARG A 56 -8.342 -5.579 -3.800 1.00 0.00 N ATOM 698 CA ARG A 56 -8.849 -6.495 -2.830 1.00 0.00 C ATOM 699 C ARG A 56 -9.373 -5.721 -1.626 1.00 0.00 C ATOM 700 O ARG A 56 -10.488 -5.969 -1.182 1.00 0.00 O ATOM 701 CB ARG A 56 -7.653 -7.411 -2.565 1.00 0.00 C ATOM 702 CG ARG A 56 -7.877 -8.179 -1.295 1.00 0.00 C ATOM 703 CD ARG A 56 -7.549 -9.646 -1.486 1.00 0.00 C ATOM 704 NE ARG A 56 -7.819 -10.391 -0.248 1.00 0.00 N ATOM 705 CZ ARG A 56 -8.220 -11.657 -0.168 1.00 0.00 C ATOM 706 NH1 ARG A 56 -8.201 -12.443 -1.235 1.00 0.00 N ATOM 707 NH2 ARG A 56 -8.643 -12.154 0.985 1.00 0.00 N ATOM 0 H ARG A 56 -7.389 -5.803 -4.085 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.708 -7.091 -3.137 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.518 -8.100 -3.399 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.740 -6.820 -2.488 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.257 -7.764 -0.500 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.915 -8.072 -0.979 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.143 -10.056 -2.303 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.502 -9.759 -1.766 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.687 -9.891 0.631 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.876 -12.079 -2.131 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.511 -13.412 -1.160 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.663 -11.565 1.818 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.949 -13.125 1.040 1.00 0.00 H new ATOM 721 N VAL A 57 -8.585 -4.794 -1.086 1.00 0.00 N ATOM 722 CA VAL A 57 -9.031 -3.979 0.033 1.00 0.00 C ATOM 723 C VAL A 57 -10.273 -3.191 -0.360 1.00 0.00 C ATOM 724 O VAL A 57 -11.234 -3.201 0.396 1.00 0.00 O ATOM 725 CB VAL A 57 -7.912 -3.037 0.487 1.00 0.00 C ATOM 726 CG1 VAL A 57 -8.358 -2.174 1.666 1.00 0.00 C ATOM 727 CG2 VAL A 57 -6.667 -3.792 0.943 1.00 0.00 C ATOM 0 H VAL A 57 -7.638 -4.592 -1.406 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.284 -4.633 0.868 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.680 -2.424 -0.384 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.542 -1.516 1.965 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.219 -1.573 1.372 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.632 -2.816 2.503 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.903 -3.080 1.255 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.922 -4.441 1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.286 -4.396 0.119 1.00 0.00 H new ATOM 737 N ALA A 58 -10.249 -2.475 -1.487 1.00 0.00 N ATOM 738 CA ALA A 58 -11.374 -1.642 -1.910 1.00 0.00 C ATOM 739 C ALA A 58 -12.671 -2.441 -2.013 1.00 0.00 C ATOM 740 O ALA A 58 -13.710 -1.954 -1.571 1.00 0.00 O ATOM 741 CB ALA A 58 -11.083 -0.968 -3.255 1.00 0.00 C ATOM 0 H ALA A 58 -9.455 -2.457 -2.127 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.502 -0.878 -1.143 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -11.936 -0.355 -3.547 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.198 -0.339 -3.163 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.908 -1.731 -4.014 1.00 0.00 H new ATOM 747 N GLU A 59 -12.573 -3.631 -2.599 1.00 0.00 N ATOM 748 CA GLU A 59 -13.618 -4.610 -2.825 1.00 0.00 C ATOM 749 C GLU A 59 -14.207 -5.074 -1.491 1.00 0.00 C ATOM 750 O GLU A 59 -15.419 -5.005 -1.294 1.00 0.00 O ATOM 751 CB GLU A 59 -12.964 -5.755 -3.611 1.00 0.00 C ATOM 752 CG GLU A 59 -13.907 -6.833 -4.136 1.00 0.00 C ATOM 753 CD GLU A 59 -13.119 -8.108 -4.443 1.00 0.00 C ATOM 754 OE1 GLU A 59 -12.389 -8.157 -5.458 1.00 0.00 O ATOM 755 OE2 GLU A 59 -13.165 -9.073 -3.645 1.00 0.00 O ATOM 0 H GLU A 59 -11.676 -3.959 -2.958 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.454 -4.200 -3.391 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.427 -5.327 -4.457 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.222 -6.231 -2.970 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.681 -7.042 -3.398 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.411 -6.481 -5.036 1.00 0.00 H new ATOM 762 N ASP A 60 -13.345 -5.518 -0.570 1.00 0.00 N ATOM 763 CA ASP A 60 -13.723 -5.997 0.761 1.00 0.00 C ATOM 764 C ASP A 60 -14.382 -4.871 1.569 1.00 0.00 C ATOM 765 O ASP A 60 -15.385 -5.068 2.262 1.00 0.00 O ATOM 766 CB ASP A 60 -12.465 -6.507 1.490 1.00 0.00 C ATOM 767 CG ASP A 60 -12.794 -7.470 2.631 1.00 0.00 C ATOM 768 OD1 ASP A 60 -13.547 -7.119 3.563 1.00 0.00 O ATOM 769 OD2 ASP A 60 -12.239 -8.592 2.681 1.00 0.00 O ATOM 0 H ASP A 60 -12.339 -5.554 -0.735 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.442 -6.810 0.660 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.813 -7.008 0.774 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.910 -5.657 1.886 1.00 0.00 H new ATOM 774 N ARG A 61 -13.794 -3.676 1.478 1.00 0.00 N ATOM 775 CA ARG A 61 -14.247 -2.418 2.060 1.00 0.00 C ATOM 776 C ARG A 61 -15.379 -1.842 1.202 1.00 0.00 C ATOM 777 O ARG A 61 -15.951 -2.515 0.347 1.00 0.00 O ATOM 778 CB ARG A 61 -13.043 -1.455 2.168 1.00 0.00 C ATOM 779 CG ARG A 61 -11.920 -1.923 3.111 1.00 0.00 C ATOM 780 CD ARG A 61 -12.247 -1.578 4.566 1.00 0.00 C ATOM 781 NE ARG A 61 -11.362 -2.280 5.503 1.00 0.00 N ATOM 782 CZ ARG A 61 -11.447 -2.227 6.836 1.00 0.00 C ATOM 783 NH1 ARG A 61 -12.109 -1.253 7.455 1.00 0.00 N ATOM 784 NH2 ARG A 61 -10.846 -3.166 7.558 1.00 0.00 N ATOM 0 H ARG A 61 -12.925 -3.558 0.957 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.643 -2.572 3.064 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.624 -1.308 1.173 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.403 -0.484 2.509 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.781 -2.999 3.011 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.980 -1.452 2.824 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.154 -0.502 4.714 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.283 -1.841 4.778 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.621 -2.856 5.104 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.568 -0.522 6.911 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.158 -1.237 8.474 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.329 -3.913 7.094 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.901 -3.140 8.576 1.00 0.00 H new ATOM 798 N ASN A 62 -15.717 -0.571 1.431 1.00 0.00 N ATOM 799 CA ASN A 62 -16.706 0.163 0.647 1.00 0.00 C ATOM 800 C ASN A 62 -16.035 1.367 -0.005 1.00 0.00 C ATOM 801 O ASN A 62 -16.483 2.509 0.132 1.00 0.00 O ATOM 802 CB ASN A 62 -17.894 0.518 1.538 1.00 0.00 C ATOM 803 CG ASN A 62 -19.168 0.655 0.722 1.00 0.00 C ATOM 804 OD1 ASN A 62 -19.960 -0.283 0.660 1.00 0.00 O ATOM 805 ND2 ASN A 62 -19.404 1.789 0.090 1.00 0.00 N ATOM 0 H ASN A 62 -15.303 -0.016 2.180 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.104 -0.446 -0.165 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -18.026 -0.253 2.297 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -17.693 1.452 2.063 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.255 1.898 -0.461 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -18.735 2.557 0.153 1.00 0.00 H new ATOM 812 N LEU A 63 -14.892 1.105 -0.635 1.00 0.00 N ATOM 813 CA LEU A 63 -13.984 2.089 -1.233 1.00 0.00 C ATOM 814 C LEU A 63 -13.934 1.887 -2.747 1.00 0.00 C ATOM 815 O LEU A 63 -14.871 1.353 -3.334 1.00 0.00 O ATOM 816 CB LEU A 63 -12.599 2.040 -0.573 1.00 0.00 C ATOM 817 CG LEU A 63 -12.614 2.161 0.957 1.00 0.00 C ATOM 818 CD1 LEU A 63 -11.171 2.071 1.449 1.00 0.00 C ATOM 819 CD2 LEU A 63 -13.236 3.468 1.455 1.00 0.00 C ATOM 0 H LEU A 63 -14.553 0.150 -0.750 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.364 3.094 -1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.115 1.102 -0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.988 2.845 -0.982 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.232 1.354 1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.151 2.154 2.536 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.744 1.114 1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.587 2.881 1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.215 3.489 2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.669 4.313 1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -14.268 3.534 1.111 1.00 0.00 H new ATOM 831 N ASP A 64 -12.882 2.390 -3.390 1.00 0.00 N ATOM 832 CA ASP A 64 -12.710 2.296 -4.835 1.00 0.00 C ATOM 833 C ASP A 64 -11.223 2.409 -5.079 1.00 0.00 C ATOM 834 O ASP A 64 -10.649 3.386 -4.602 1.00 0.00 O ATOM 835 CB ASP A 64 -13.389 3.472 -5.554 1.00 0.00 C ATOM 836 CG ASP A 64 -13.451 3.267 -7.064 1.00 0.00 C ATOM 837 OD1 ASP A 64 -12.671 2.455 -7.601 1.00 0.00 O ATOM 838 OD2 ASP A 64 -14.309 3.916 -7.711 1.00 0.00 O ATOM 0 H ASP A 64 -12.121 2.877 -2.918 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.145 1.368 -5.206 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -14.399 3.599 -5.165 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.845 4.391 -5.336 1.00 0.00 H new ATOM 843 N VAL A 65 -10.601 1.451 -5.768 1.00 0.00 N ATOM 844 CA VAL A 65 -9.165 1.404 -6.076 1.00 0.00 C ATOM 845 C VAL A 65 -8.677 2.731 -6.667 1.00 0.00 C ATOM 846 O VAL A 65 -7.523 3.129 -6.458 1.00 0.00 O ATOM 847 CB VAL A 65 -8.889 0.193 -6.983 1.00 0.00 C ATOM 848 CG1 VAL A 65 -9.628 0.313 -8.313 1.00 0.00 C ATOM 849 CG2 VAL A 65 -7.394 -0.004 -7.256 1.00 0.00 C ATOM 0 H VAL A 65 -11.105 0.648 -6.145 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.591 1.272 -5.159 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.257 -0.678 -6.440 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.411 -0.559 -8.930 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.701 0.370 -8.129 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.301 1.214 -8.831 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.253 -0.871 -7.901 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.994 0.883 -7.748 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.870 -0.163 -6.314 1.00 0.00 H new ATOM 859 N GLU A 66 -9.558 3.435 -7.375 1.00 0.00 N ATOM 860 CA GLU A 66 -9.304 4.733 -7.962 1.00 0.00 C ATOM 861 C GLU A 66 -8.975 5.735 -6.859 1.00 0.00 C ATOM 862 O GLU A 66 -8.028 6.509 -6.990 1.00 0.00 O ATOM 863 CB GLU A 66 -10.539 5.163 -8.770 1.00 0.00 C ATOM 864 CG GLU A 66 -10.919 4.178 -9.884 1.00 0.00 C ATOM 865 CD GLU A 66 -9.884 4.155 -11.013 1.00 0.00 C ATOM 866 OE1 GLU A 66 -8.766 3.636 -10.795 1.00 0.00 O ATOM 867 OE2 GLU A 66 -10.167 4.702 -12.105 1.00 0.00 O ATOM 0 H GLU A 66 -10.503 3.097 -7.558 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.449 4.689 -8.637 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.385 5.275 -8.092 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.351 6.142 -9.211 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.018 3.177 -9.464 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.893 4.451 -10.291 1.00 0.00 H new ATOM 874 N VAL A 67 -9.712 5.722 -5.749 1.00 0.00 N ATOM 875 CA VAL A 67 -9.466 6.631 -4.643 1.00 0.00 C ATOM 876 C VAL A 67 -8.118 6.301 -3.980 1.00 0.00 C ATOM 877 O VAL A 67 -7.318 7.211 -3.771 1.00 0.00 O ATOM 878 CB VAL A 67 -10.653 6.594 -3.670 1.00 0.00 C ATOM 879 CG1 VAL A 67 -10.451 7.610 -2.545 1.00 0.00 C ATOM 880 CG2 VAL A 67 -11.982 6.915 -4.384 1.00 0.00 C ATOM 0 H VAL A 67 -10.492 5.082 -5.597 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.388 7.657 -5.003 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.702 5.584 -3.263 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.301 7.572 -1.863 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.538 7.372 -2.000 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.371 8.611 -2.969 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.800 6.879 -3.664 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -11.928 7.911 -4.823 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.159 6.181 -5.170 1.00 0.00 H new ATOM 890 N LEU A 68 -7.803 5.039 -3.663 1.00 0.00 N ATOM 891 CA LEU A 68 -6.536 4.684 -3.074 1.00 0.00 C ATOM 892 C LEU A 68 -5.335 5.115 -3.905 1.00 0.00 C ATOM 893 O LEU A 68 -4.327 5.476 -3.316 1.00 0.00 O ATOM 894 CB LEU A 68 -6.571 3.185 -2.906 1.00 0.00 C ATOM 895 CG LEU A 68 -7.714 2.746 -1.963 1.00 0.00 C ATOM 896 CD1 LEU A 68 -8.277 3.713 -0.909 1.00 0.00 C ATOM 897 CD2 LEU A 68 -8.778 1.922 -2.633 1.00 0.00 C ATOM 0 H LEU A 68 -8.428 4.247 -3.813 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.408 5.206 -2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.699 2.712 -3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.617 2.840 -2.507 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.124 2.102 -1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.071 3.219 -0.349 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.481 4.010 -0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.679 4.597 -1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.543 1.654 -1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -9.231 2.499 -3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.332 1.015 -3.041 1.00 0.00 H new ATOM 909 N ASN A 69 -5.439 5.125 -5.238 1.00 0.00 N ATOM 910 CA ASN A 69 -4.381 5.635 -6.122 1.00 0.00 C ATOM 911 C ASN A 69 -4.037 7.091 -5.794 1.00 0.00 C ATOM 912 O ASN A 69 -2.867 7.476 -5.829 1.00 0.00 O ATOM 913 CB ASN A 69 -4.814 5.564 -7.594 1.00 0.00 C ATOM 914 CG ASN A 69 -4.491 4.247 -8.267 1.00 0.00 C ATOM 915 OD1 ASN A 69 -3.357 4.001 -8.673 1.00 0.00 O ATOM 916 ND2 ASN A 69 -5.493 3.399 -8.440 1.00 0.00 N ATOM 0 H ASN A 69 -6.259 4.780 -5.737 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.505 5.007 -5.961 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.888 5.738 -7.655 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.329 6.370 -8.144 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.335 2.514 -8.921 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.423 3.631 -8.092 1.00 0.00 H new ATOM 923 N GLN A 70 -5.049 7.914 -5.500 1.00 0.00 N ATOM 924 CA GLN A 70 -4.847 9.302 -5.108 1.00 0.00 C ATOM 925 C GLN A 70 -4.115 9.349 -3.768 1.00 0.00 C ATOM 926 O GLN A 70 -2.982 9.828 -3.713 1.00 0.00 O ATOM 927 CB GLN A 70 -6.177 10.058 -5.073 1.00 0.00 C ATOM 928 CG GLN A 70 -6.600 10.575 -6.449 1.00 0.00 C ATOM 929 CD GLN A 70 -8.069 11.011 -6.480 1.00 0.00 C ATOM 930 OE1 GLN A 70 -8.591 11.645 -5.566 1.00 0.00 O ATOM 931 NE2 GLN A 70 -8.798 10.622 -7.508 1.00 0.00 N ATOM 0 H GLN A 70 -6.029 7.631 -5.529 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.226 9.805 -5.849 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -6.954 9.400 -4.682 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.094 10.898 -4.384 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -5.967 11.417 -6.728 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -6.439 9.795 -7.193 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.368 10.096 -8.268 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.792 10.848 -7.543 1.00 0.00 H new ATOM 940 N VAL A 71 -4.721 8.823 -2.698 1.00 0.00 N ATOM 941 CA VAL A 71 -4.160 8.910 -1.350 1.00 0.00 C ATOM 942 C VAL A 71 -2.754 8.289 -1.289 1.00 0.00 C ATOM 943 O VAL A 71 -1.867 8.849 -0.645 1.00 0.00 O ATOM 944 CB VAL A 71 -5.154 8.333 -0.331 1.00 0.00 C ATOM 945 CG1 VAL A 71 -4.532 8.320 1.063 1.00 0.00 C ATOM 946 CG2 VAL A 71 -6.415 9.209 -0.246 1.00 0.00 C ATOM 0 H VAL A 71 -5.611 8.327 -2.744 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.015 9.955 -1.078 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.406 7.325 -0.659 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.246 7.909 1.776 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.633 7.704 1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.272 9.338 1.355 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.106 8.783 0.481 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.138 10.217 0.064 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.896 9.250 -1.223 1.00 0.00 H new ATOM 956 N ARG A 72 -2.510 7.190 -2.010 1.00 0.00 N ATOM 957 CA ARG A 72 -1.204 6.527 -2.111 1.00 0.00 C ATOM 958 C ARG A 72 -0.077 7.492 -2.488 1.00 0.00 C ATOM 959 O ARG A 72 1.062 7.271 -2.080 1.00 0.00 O ATOM 960 CB ARG A 72 -1.309 5.340 -3.096 1.00 0.00 C ATOM 961 CG ARG A 72 0.048 4.714 -3.448 1.00 0.00 C ATOM 962 CD ARG A 72 -0.031 3.304 -4.067 1.00 0.00 C ATOM 963 NE ARG A 72 1.033 3.016 -5.049 1.00 0.00 N ATOM 964 CZ ARG A 72 2.335 3.333 -5.047 1.00 0.00 C ATOM 965 NH1 ARG A 72 2.879 4.101 -4.110 1.00 0.00 N ATOM 966 NH2 ARG A 72 3.073 2.841 -6.028 1.00 0.00 N ATOM 0 H ARG A 72 -3.235 6.723 -2.555 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.936 6.147 -1.125 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.952 4.574 -2.662 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -1.792 5.680 -4.012 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.566 5.373 -4.145 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.655 4.665 -2.544 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.018 2.565 -3.267 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.000 3.186 -4.552 1.00 0.00 H new ATOM 0 HE ARG A 72 0.726 2.487 -5.865 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.301 4.473 -3.356 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.875 4.319 -4.144 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.645 2.250 -6.741 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.070 3.053 -6.072 1.00 0.00 H new ATOM 980 N ALA A 73 -0.364 8.527 -3.276 1.00 0.00 N ATOM 981 CA ALA A 73 0.626 9.494 -3.720 1.00 0.00 C ATOM 982 C ALA A 73 0.847 10.621 -2.704 1.00 0.00 C ATOM 983 O ALA A 73 1.864 11.318 -2.775 1.00 0.00 O ATOM 984 CB ALA A 73 0.144 10.063 -5.051 1.00 0.00 C ATOM 0 H ALA A 73 -1.303 8.716 -3.626 1.00 0.00 H new ATOM 0 HA ALA A 73 1.589 8.994 -3.828 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.864 10.795 -5.416 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.046 9.256 -5.778 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.824 10.545 -4.912 1.00 0.00 H new ATOM 990 N GLN A 74 -0.072 10.830 -1.759 1.00 0.00 N ATOM 991 CA GLN A 74 0.029 11.850 -0.727 1.00 0.00 C ATOM 992 C GLN A 74 0.924 11.313 0.401 1.00 0.00 C ATOM 993 O GLN A 74 0.467 11.054 1.514 1.00 0.00 O ATOM 994 CB GLN A 74 -1.374 12.242 -0.222 1.00 0.00 C ATOM 995 CG GLN A 74 -2.489 12.297 -1.271 1.00 0.00 C ATOM 996 CD GLN A 74 -2.334 13.304 -2.404 1.00 0.00 C ATOM 997 OE1 GLN A 74 -1.485 14.196 -2.398 1.00 0.00 O ATOM 998 NE2 GLN A 74 -3.195 13.193 -3.393 1.00 0.00 N ATOM 0 H GLN A 74 -0.927 10.277 -1.693 1.00 0.00 H new ATOM 0 HA GLN A 74 0.481 12.757 -1.128 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.668 11.533 0.551 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.304 13.221 0.253 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.586 11.305 -1.712 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -3.426 12.510 -0.756 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.892 12.448 -3.382 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -3.166 13.852 -4.171 1.00 0.00 H new