USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 424 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 36 ASN : amide:sc= -1.57 K(o=-1.7,f=-19!) USER MOD Set 1.2: A 39 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0257 USER MOD Single : A 20 THR OG1 : rot -99:sc= -3.57! USER MOD Single : A 23 CYS SG : rot 94:sc= -7.91! USER MOD Single : A 27 THR OG1 : rot -30:sc= 0.351 USER MOD Single : A 35 TYR OH : rot 180:sc= -0.629 USER MOD Single : A 38 THR OG1 : rot -160:sc= 0 USER MOD Single : A 42 SER OG : rot 21:sc= 0.644 USER MOD Single : A 43 MET CE :methyl -154:sc= -0.0959 (180deg=-2.14!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.832 K(o=-0.83,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 120 N PRO A 11 -6.042 -10.423 -6.472 1.00 0.00 N ATOM 121 CA PRO A 11 -7.127 -9.950 -5.606 1.00 0.00 C ATOM 122 C PRO A 11 -8.299 -10.925 -5.560 1.00 0.00 C ATOM 123 O PRO A 11 -8.637 -11.552 -6.564 1.00 0.00 O ATOM 124 CB PRO A 11 -7.552 -8.632 -6.257 1.00 0.00 C ATOM 125 CG PRO A 11 -7.163 -8.775 -7.689 1.00 0.00 C ATOM 126 CD PRO A 11 -5.918 -9.617 -7.698 1.00 0.00 C ATOM 0 HA PRO A 11 -6.805 -9.844 -4.570 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -8.624 -8.466 -6.153 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.051 -7.782 -5.794 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.959 -9.249 -8.264 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.979 -7.801 -8.142 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.864 -10.245 -8.588 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.018 -9.003 -7.686 1.00 0.00 H new ATOM 134 N VAL A 12 -8.916 -11.046 -4.390 1.00 0.00 N ATOM 135 CA VAL A 12 -10.052 -11.943 -4.214 1.00 0.00 C ATOM 136 C VAL A 12 -11.372 -11.199 -4.383 1.00 0.00 C ATOM 137 O VAL A 12 -12.399 -11.799 -4.699 1.00 0.00 O ATOM 138 CB VAL A 12 -10.028 -12.615 -2.828 1.00 0.00 C ATOM 139 CG1 VAL A 12 -8.836 -13.552 -2.709 1.00 0.00 C ATOM 140 CG2 VAL A 12 -10.003 -11.564 -1.728 1.00 0.00 C ATOM 0 H VAL A 12 -8.649 -10.534 -3.549 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.970 -12.711 -4.983 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.936 -13.206 -2.714 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.836 -14.017 -1.723 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.903 -14.325 -3.475 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.914 -12.987 -2.843 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.986 -12.056 -0.755 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.113 -10.945 -1.837 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.892 -10.938 -1.803 1.00 0.00 H new ATOM 150 N ALA A 13 -11.336 -9.887 -4.171 1.00 0.00 N ATOM 151 CA ALA A 13 -12.529 -9.060 -4.302 1.00 0.00 C ATOM 152 C ALA A 13 -12.163 -7.624 -4.664 1.00 0.00 C ATOM 153 O ALA A 13 -11.019 -7.201 -4.493 1.00 0.00 O ATOM 154 CB ALA A 13 -13.338 -9.092 -3.015 1.00 0.00 C ATOM 0 H ALA A 13 -10.494 -9.375 -3.908 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.137 -9.468 -5.110 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.226 -8.470 -3.128 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.638 -10.117 -2.799 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.730 -8.712 -2.194 1.00 0.00 H new ATOM 160 N THR A 14 -13.142 -6.877 -5.164 1.00 0.00 N ATOM 161 CA THR A 14 -12.923 -5.489 -5.551 1.00 0.00 C ATOM 162 C THR A 14 -14.203 -4.671 -5.414 1.00 0.00 C ATOM 163 O THR A 14 -15.275 -5.105 -5.833 1.00 0.00 O ATOM 164 CB THR A 14 -12.414 -5.384 -7.001 1.00 0.00 C ATOM 165 OG1 THR A 14 -11.205 -6.137 -7.151 1.00 0.00 O ATOM 166 CG2 THR A 14 -12.164 -3.932 -7.383 1.00 0.00 C ATOM 0 H THR A 14 -14.095 -7.210 -5.311 1.00 0.00 H new ATOM 0 HA THR A 14 -12.165 -5.089 -4.877 1.00 0.00 H new ATOM 0 HB THR A 14 -13.179 -5.790 -7.662 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.888 -6.067 -8.076 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.805 -3.883 -8.411 1.00 0.00 H new ATOM 0 HG22 THR A 14 -13.092 -3.368 -7.295 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.415 -3.504 -6.716 1.00 0.00 H new ATOM 174 N ALA A 15 -14.082 -3.486 -4.825 1.00 0.00 N ATOM 175 CA ALA A 15 -15.229 -2.607 -4.635 1.00 0.00 C ATOM 176 C ALA A 15 -14.799 -1.144 -4.601 1.00 0.00 C ATOM 177 O ALA A 15 -14.011 -0.723 -3.753 1.00 0.00 O ATOM 178 CB ALA A 15 -15.968 -2.972 -3.356 1.00 0.00 C ATOM 0 H ALA A 15 -13.201 -3.113 -4.471 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.903 -2.741 -5.481 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.822 -2.307 -3.227 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.317 -4.003 -3.419 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.295 -2.868 -2.505 1.00 0.00 H new ATOM 184 N PRO A 16 -15.327 -0.349 -5.543 1.00 0.00 N ATOM 185 CA PRO A 16 -15.011 1.079 -5.642 1.00 0.00 C ATOM 186 C PRO A 16 -15.606 1.884 -4.492 1.00 0.00 C ATOM 187 O PRO A 16 -16.786 1.746 -4.170 1.00 0.00 O ATOM 188 CB PRO A 16 -15.650 1.492 -6.970 1.00 0.00 C ATOM 189 CG PRO A 16 -16.750 0.511 -7.183 1.00 0.00 C ATOM 190 CD PRO A 16 -16.272 -0.784 -6.586 1.00 0.00 C ATOM 0 HA PRO A 16 -13.938 1.264 -5.594 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -16.032 2.512 -6.925 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -14.927 1.459 -7.785 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -17.670 0.846 -6.703 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -16.968 0.394 -8.244 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -17.096 -1.362 -6.167 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -15.787 -1.415 -7.331 1.00 0.00 H new ATOM 198 N ILE A 17 -14.781 2.725 -3.876 1.00 0.00 N ATOM 199 CA ILE A 17 -15.227 3.554 -2.763 1.00 0.00 C ATOM 200 C ILE A 17 -16.098 4.706 -3.250 1.00 0.00 C ATOM 201 O ILE A 17 -15.817 5.344 -4.264 1.00 0.00 O ATOM 202 CB ILE A 17 -14.034 4.125 -1.973 1.00 0.00 C ATOM 203 CG1 ILE A 17 -13.188 2.990 -1.393 1.00 0.00 C ATOM 204 CG2 ILE A 17 -14.524 5.047 -0.867 1.00 0.00 C ATOM 205 CD1 ILE A 17 -12.285 3.427 -0.261 1.00 0.00 C ATOM 0 H ILE A 17 -13.801 2.850 -4.129 1.00 0.00 H new ATOM 0 HA ILE A 17 -15.813 2.911 -2.106 1.00 0.00 H new ATOM 0 HB ILE A 17 -13.411 4.705 -2.653 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -13.849 2.201 -1.035 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.579 2.559 -2.188 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -13.670 5.443 -0.318 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -15.088 5.871 -1.304 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -15.166 4.489 -0.186 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -11.715 2.571 0.101 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -11.599 4.195 -0.619 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -12.889 3.831 0.551 1.00 0.00 H new ATOM 217 N PRO A 18 -17.182 4.982 -2.509 1.00 0.00 N ATOM 218 CA PRO A 18 -18.116 6.061 -2.844 1.00 0.00 C ATOM 219 C PRO A 18 -17.504 7.443 -2.640 1.00 0.00 C ATOM 220 O PRO A 18 -17.028 7.767 -1.552 1.00 0.00 O ATOM 221 CB PRO A 18 -19.276 5.841 -1.870 1.00 0.00 C ATOM 222 CG PRO A 18 -18.669 5.125 -0.714 1.00 0.00 C ATOM 223 CD PRO A 18 -17.578 4.263 -1.287 1.00 0.00 C ATOM 0 HA PRO A 18 -18.411 6.033 -3.893 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -19.719 6.788 -1.561 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -20.071 5.252 -2.328 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.268 5.830 0.014 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -19.413 4.520 -0.196 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.743 4.158 -0.594 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -17.935 3.258 -1.510 1.00 0.00 H new ATOM 231 N GLY A 19 -17.519 8.254 -3.693 1.00 0.00 N ATOM 232 CA GLY A 19 -16.962 9.591 -3.608 1.00 0.00 C ATOM 233 C GLY A 19 -15.532 9.657 -4.106 1.00 0.00 C ATOM 234 O GLY A 19 -15.203 10.470 -4.970 1.00 0.00 O ATOM 0 H GLY A 19 -17.907 8.009 -4.604 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -17.578 10.276 -4.191 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -16.999 9.931 -2.573 1.00 0.00 H new ATOM 238 N THR A 20 -14.677 8.798 -3.559 1.00 0.00 N ATOM 239 CA THR A 20 -13.273 8.764 -3.950 1.00 0.00 C ATOM 240 C THR A 20 -13.018 7.677 -4.987 1.00 0.00 C ATOM 241 O THR A 20 -13.657 6.624 -4.989 1.00 0.00 O ATOM 242 CB THR A 20 -12.357 8.523 -2.735 1.00 0.00 C ATOM 243 OG1 THR A 20 -12.148 7.119 -2.549 1.00 0.00 O ATOM 244 CG2 THR A 20 -12.962 9.121 -1.474 1.00 0.00 C ATOM 0 H THR A 20 -14.932 8.117 -2.844 1.00 0.00 H new ATOM 0 HA THR A 20 -13.042 9.737 -4.383 1.00 0.00 H new ATOM 0 HB THR A 20 -11.401 9.010 -2.927 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.747 6.789 -1.847 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.297 8.938 -0.630 1.00 0.00 H new ATOM 0 HG22 THR A 20 -13.093 10.195 -1.607 1.00 0.00 H new ATOM 0 HG23 THR A 20 -13.930 8.659 -1.280 1.00 0.00 H new ATOM 252 N PRO A 21 -12.061 7.933 -5.891 1.00 0.00 N ATOM 253 CA PRO A 21 -11.698 6.987 -6.951 1.00 0.00 C ATOM 254 C PRO A 21 -10.990 5.751 -6.406 1.00 0.00 C ATOM 255 O PRO A 21 -10.671 4.827 -7.155 1.00 0.00 O ATOM 256 CB PRO A 21 -10.753 7.796 -7.841 1.00 0.00 C ATOM 257 CG PRO A 21 -10.177 8.833 -6.939 1.00 0.00 C ATOM 258 CD PRO A 21 -11.258 9.166 -5.948 1.00 0.00 C ATOM 0 HA PRO A 21 -12.575 6.605 -7.474 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.973 7.165 -8.267 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.287 8.250 -8.676 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.286 8.460 -6.434 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.878 9.717 -7.502 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.844 9.421 -4.973 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -11.854 10.019 -6.274 1.00 0.00 H new ATOM 266 N TRP A 22 -10.748 5.740 -5.101 1.00 0.00 N ATOM 267 CA TRP A 22 -10.077 4.617 -4.457 1.00 0.00 C ATOM 268 C TRP A 22 -10.998 3.404 -4.382 1.00 0.00 C ATOM 269 O TRP A 22 -12.211 3.543 -4.214 1.00 0.00 O ATOM 270 CB TRP A 22 -9.615 5.009 -3.053 1.00 0.00 C ATOM 271 CG TRP A 22 -8.452 5.954 -3.053 1.00 0.00 C ATOM 272 CD1 TRP A 22 -8.503 7.316 -2.971 1.00 0.00 C ATOM 273 CD2 TRP A 22 -7.065 5.607 -3.142 1.00 0.00 C ATOM 274 NE1 TRP A 22 -7.232 7.837 -3.004 1.00 0.00 N ATOM 275 CE2 TRP A 22 -6.332 6.809 -3.107 1.00 0.00 C ATOM 276 CE3 TRP A 22 -6.372 4.398 -3.245 1.00 0.00 C ATOM 277 CZ2 TRP A 22 -4.941 6.835 -3.173 1.00 0.00 C ATOM 278 CZ3 TRP A 22 -4.992 4.425 -3.311 1.00 0.00 C ATOM 279 CH2 TRP A 22 -4.288 5.637 -3.274 1.00 0.00 C ATOM 0 H TRP A 22 -11.006 6.496 -4.467 1.00 0.00 H new ATOM 0 HA TRP A 22 -9.206 4.353 -5.058 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -10.447 5.468 -2.519 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -9.342 4.108 -2.503 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -9.409 7.898 -2.892 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -6.997 8.828 -2.959 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -6.905 3.459 -3.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -4.397 7.768 -3.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.446 3.497 -3.392 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -3.209 5.625 -3.326 1.00 0.00 H new ATOM 290 N CYS A 23 -10.417 2.216 -4.507 1.00 0.00 N ATOM 291 CA CYS A 23 -11.186 0.978 -4.453 1.00 0.00 C ATOM 292 C CYS A 23 -10.627 0.036 -3.393 1.00 0.00 C ATOM 293 O CYS A 23 -9.413 -0.071 -3.219 1.00 0.00 O ATOM 294 CB CYS A 23 -11.180 0.290 -5.819 1.00 0.00 C ATOM 295 SG CYS A 23 -11.285 -1.513 -5.737 1.00 0.00 S ATOM 0 H CYS A 23 -9.415 2.084 -4.647 1.00 0.00 H new ATOM 0 HA CYS A 23 -12.212 1.228 -4.185 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -12.017 0.666 -6.407 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -10.269 0.567 -6.349 1.00 0.00 H new ATOM 0 HG CYS A 23 -12.528 -1.880 -5.841 1.00 0.00 H new ATOM 301 N VAL A 24 -11.522 -0.646 -2.684 1.00 0.00 N ATOM 302 CA VAL A 24 -11.118 -1.580 -1.639 1.00 0.00 C ATOM 303 C VAL A 24 -10.912 -2.981 -2.203 1.00 0.00 C ATOM 304 O VAL A 24 -11.848 -3.778 -2.273 1.00 0.00 O ATOM 305 CB VAL A 24 -12.162 -1.642 -0.508 1.00 0.00 C ATOM 306 CG1 VAL A 24 -11.711 -2.601 0.583 1.00 0.00 C ATOM 307 CG2 VAL A 24 -12.414 -0.254 0.061 1.00 0.00 C ATOM 0 H VAL A 24 -12.531 -0.569 -2.814 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.175 -1.213 -1.234 1.00 0.00 H new ATOM 0 HB VAL A 24 -13.099 -2.015 -0.922 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -12.461 -2.632 1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.587 -3.599 0.162 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.762 -2.261 0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -13.154 -0.317 0.859 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -11.484 0.150 0.460 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -12.785 0.401 -0.728 1.00 0.00 H new ATOM 317 N VAL A 25 -9.680 -3.276 -2.606 1.00 0.00 N ATOM 318 CA VAL A 25 -9.350 -4.582 -3.163 1.00 0.00 C ATOM 319 C VAL A 25 -8.764 -5.502 -2.098 1.00 0.00 C ATOM 320 O VAL A 25 -7.831 -5.129 -1.387 1.00 0.00 O ATOM 321 CB VAL A 25 -8.349 -4.459 -4.327 1.00 0.00 C ATOM 322 CG1 VAL A 25 -8.061 -5.825 -4.931 1.00 0.00 C ATOM 323 CG2 VAL A 25 -8.876 -3.500 -5.384 1.00 0.00 C ATOM 0 H VAL A 25 -8.894 -2.628 -2.557 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.280 -5.011 -3.537 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.414 -4.056 -3.938 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.352 -5.718 -5.752 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.637 -6.478 -4.168 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.987 -6.259 -5.306 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.156 -3.425 -6.199 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.825 -3.871 -5.771 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.025 -2.516 -4.940 1.00 0.00 H new ATOM 333 N TRP A 26 -9.317 -6.705 -1.995 1.00 0.00 N ATOM 334 CA TRP A 26 -8.848 -7.679 -1.016 1.00 0.00 C ATOM 335 C TRP A 26 -7.901 -8.686 -1.660 1.00 0.00 C ATOM 336 O TRP A 26 -7.747 -8.715 -2.882 1.00 0.00 O ATOM 337 CB TRP A 26 -10.034 -8.409 -0.383 1.00 0.00 C ATOM 338 CG TRP A 26 -10.838 -7.545 0.542 1.00 0.00 C ATOM 339 CD1 TRP A 26 -10.711 -7.458 1.899 1.00 0.00 C ATOM 340 CD2 TRP A 26 -11.893 -6.649 0.177 1.00 0.00 C ATOM 341 NE1 TRP A 26 -11.624 -6.562 2.400 1.00 0.00 N ATOM 342 CE2 TRP A 26 -12.360 -6.051 1.364 1.00 0.00 C ATOM 343 CE3 TRP A 26 -12.488 -6.293 -1.036 1.00 0.00 C ATOM 344 CZ2 TRP A 26 -13.394 -5.119 1.370 1.00 0.00 C ATOM 345 CZ3 TRP A 26 -13.514 -5.367 -1.028 1.00 0.00 C ATOM 346 CH2 TRP A 26 -13.958 -4.788 0.168 1.00 0.00 C ATOM 0 H TRP A 26 -10.090 -7.029 -2.577 1.00 0.00 H new ATOM 0 HA TRP A 26 -8.304 -7.142 -0.239 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -10.683 -8.786 -1.173 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -9.667 -9.275 0.168 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -9.998 -8.012 2.491 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -11.736 -6.317 3.384 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -12.152 -6.733 -1.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -13.739 -4.673 2.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -13.982 -5.085 -1.960 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -14.761 -4.066 0.141 1.00 0.00 H new ATOM 357 N THR A 27 -7.269 -9.511 -0.832 1.00 0.00 N ATOM 358 CA THR A 27 -6.336 -10.519 -1.321 1.00 0.00 C ATOM 359 C THR A 27 -6.561 -11.858 -0.629 1.00 0.00 C ATOM 360 O THR A 27 -7.384 -11.969 0.279 1.00 0.00 O ATOM 361 CB THR A 27 -4.875 -10.082 -1.108 1.00 0.00 C ATOM 362 OG1 THR A 27 -4.681 -9.663 0.248 1.00 0.00 O ATOM 363 CG2 THR A 27 -4.505 -8.949 -2.052 1.00 0.00 C ATOM 0 H THR A 27 -7.386 -9.501 0.181 1.00 0.00 H new ATOM 0 HA THR A 27 -6.522 -10.630 -2.389 1.00 0.00 H new ATOM 0 HB THR A 27 -4.230 -10.935 -1.320 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.517 -9.291 0.598 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.468 -8.658 -1.882 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.625 -9.281 -3.083 1.00 0.00 H new ATOM 0 HG23 THR A 27 -5.156 -8.095 -1.868 1.00 0.00 H new ATOM 371 N GLY A 28 -5.823 -12.875 -1.064 1.00 0.00 N ATOM 372 CA GLY A 28 -5.957 -14.194 -0.474 1.00 0.00 C ATOM 373 C GLY A 28 -5.273 -14.298 0.875 1.00 0.00 C ATOM 374 O GLY A 28 -5.606 -15.167 1.682 1.00 0.00 O ATOM 0 H GLY A 28 -5.135 -12.809 -1.814 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.015 -14.432 -0.361 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.534 -14.936 -1.151 1.00 0.00 H new ATOM 378 N ASP A 29 -4.315 -13.411 1.121 1.00 0.00 N ATOM 379 CA ASP A 29 -3.583 -13.407 2.382 1.00 0.00 C ATOM 380 C ASP A 29 -4.325 -12.595 3.439 1.00 0.00 C ATOM 381 O ASP A 29 -3.715 -11.839 4.195 1.00 0.00 O ATOM 382 CB ASP A 29 -2.177 -12.838 2.178 1.00 0.00 C ATOM 383 CG ASP A 29 -1.171 -13.419 3.152 1.00 0.00 C ATOM 384 OD1 ASP A 29 -1.294 -14.615 3.489 1.00 0.00 O ATOM 385 OD2 ASP A 29 -0.261 -12.677 3.578 1.00 0.00 O ATOM 0 H ASP A 29 -4.027 -12.686 0.464 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.503 -14.437 2.731 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.850 -13.041 1.158 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.206 -11.755 2.293 1.00 0.00 H new ATOM 390 N GLU A 30 -5.644 -12.756 3.484 1.00 0.00 N ATOM 391 CA GLU A 30 -6.468 -12.036 4.447 1.00 0.00 C ATOM 392 C GLU A 30 -6.010 -10.586 4.579 1.00 0.00 C ATOM 393 O GLU A 30 -5.868 -10.068 5.687 1.00 0.00 O ATOM 394 CB GLU A 30 -6.417 -12.725 5.812 1.00 0.00 C ATOM 395 CG GLU A 30 -7.326 -13.938 5.916 1.00 0.00 C ATOM 396 CD GLU A 30 -8.730 -13.578 6.362 1.00 0.00 C ATOM 397 OE1 GLU A 30 -8.867 -12.920 7.415 1.00 0.00 O ATOM 398 OE2 GLU A 30 -9.691 -13.953 5.660 1.00 0.00 O ATOM 0 H GLU A 30 -6.164 -13.378 2.865 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.496 -12.042 4.083 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.391 -13.032 6.017 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.695 -12.006 6.583 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.373 -14.436 4.948 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.896 -14.650 6.621 1.00 0.00 H new ATOM 405 N ARG A 31 -5.779 -9.939 3.442 1.00 0.00 N ATOM 406 CA ARG A 31 -5.335 -8.550 3.430 1.00 0.00 C ATOM 407 C ARG A 31 -6.118 -7.738 2.402 1.00 0.00 C ATOM 408 O ARG A 31 -6.795 -8.297 1.539 1.00 0.00 O ATOM 409 CB ARG A 31 -3.838 -8.474 3.124 1.00 0.00 C ATOM 410 CG ARG A 31 -2.960 -8.524 4.363 1.00 0.00 C ATOM 411 CD ARG A 31 -2.825 -7.152 5.006 1.00 0.00 C ATOM 412 NE ARG A 31 -2.356 -7.238 6.386 1.00 0.00 N ATOM 413 CZ ARG A 31 -2.432 -6.234 7.252 1.00 0.00 C ATOM 414 NH1 ARG A 31 -2.957 -5.074 6.883 1.00 0.00 N ATOM 415 NH2 ARG A 31 -1.984 -6.389 8.491 1.00 0.00 N ATOM 0 H ARG A 31 -5.892 -10.354 2.517 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.519 -8.127 4.418 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.568 -9.299 2.464 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.633 -7.551 2.581 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.384 -9.224 5.083 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.973 -8.901 4.096 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.131 -6.546 4.424 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.789 -6.644 4.982 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.948 -8.117 6.702 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.304 -4.951 5.932 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.014 -4.305 7.550 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.580 -7.280 8.780 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.043 -5.617 9.155 1.00 0.00 H new ATOM 429 N VAL A 32 -6.020 -6.416 2.501 1.00 0.00 N ATOM 430 CA VAL A 32 -6.718 -5.527 1.580 1.00 0.00 C ATOM 431 C VAL A 32 -5.900 -4.270 1.304 1.00 0.00 C ATOM 432 O VAL A 32 -5.305 -3.692 2.214 1.00 0.00 O ATOM 433 CB VAL A 32 -8.097 -5.118 2.131 1.00 0.00 C ATOM 434 CG1 VAL A 32 -7.960 -4.513 3.519 1.00 0.00 C ATOM 435 CG2 VAL A 32 -8.782 -4.146 1.182 1.00 0.00 C ATOM 0 H VAL A 32 -5.464 -5.937 3.210 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.856 -6.079 0.650 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.717 -6.011 2.210 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -8.945 -4.230 3.891 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.514 -5.245 4.192 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.323 -3.630 3.470 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.755 -3.867 1.587 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.167 -3.253 1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.916 -4.620 0.210 1.00 0.00 H new ATOM 445 N PHE A 33 -5.875 -3.851 0.043 1.00 0.00 N ATOM 446 CA PHE A 33 -5.130 -2.663 -0.353 1.00 0.00 C ATOM 447 C PHE A 33 -6.033 -1.674 -1.086 1.00 0.00 C ATOM 448 O PHE A 33 -7.129 -2.024 -1.524 1.00 0.00 O ATOM 449 CB PHE A 33 -3.949 -3.049 -1.246 1.00 0.00 C ATOM 450 CG PHE A 33 -4.360 -3.567 -2.594 1.00 0.00 C ATOM 451 CD1 PHE A 33 -4.759 -4.884 -2.753 1.00 0.00 C ATOM 452 CD2 PHE A 33 -4.347 -2.737 -3.703 1.00 0.00 C ATOM 453 CE1 PHE A 33 -5.139 -5.364 -3.992 1.00 0.00 C ATOM 454 CE2 PHE A 33 -4.726 -3.211 -4.945 1.00 0.00 C ATOM 455 CZ PHE A 33 -5.121 -4.526 -5.090 1.00 0.00 C ATOM 0 H PHE A 33 -6.363 -4.317 -0.722 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.753 -2.184 0.550 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.306 -2.179 -1.381 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.354 -3.809 -0.740 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.773 -5.544 -1.898 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.037 -1.708 -3.596 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.450 -6.393 -4.102 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.713 -2.553 -5.801 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.415 -4.899 -6.060 1.00 0.00 H new ATOM 465 N PHE A 34 -5.564 -0.437 -1.214 1.00 0.00 N ATOM 466 CA PHE A 34 -6.328 0.604 -1.892 1.00 0.00 C ATOM 467 C PHE A 34 -5.756 0.884 -3.278 1.00 0.00 C ATOM 468 O PHE A 34 -4.562 1.143 -3.428 1.00 0.00 O ATOM 469 CB PHE A 34 -6.331 1.888 -1.060 1.00 0.00 C ATOM 470 CG PHE A 34 -6.695 1.668 0.381 1.00 0.00 C ATOM 471 CD1 PHE A 34 -5.796 1.078 1.254 1.00 0.00 C ATOM 472 CD2 PHE A 34 -7.937 2.052 0.861 1.00 0.00 C ATOM 473 CE1 PHE A 34 -6.130 0.874 2.580 1.00 0.00 C ATOM 474 CE2 PHE A 34 -8.276 1.851 2.186 1.00 0.00 C ATOM 475 CZ PHE A 34 -7.371 1.262 3.047 1.00 0.00 C ATOM 0 H PHE A 34 -4.659 -0.131 -0.857 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.353 0.251 -2.006 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.344 2.347 -1.111 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.034 2.595 -1.500 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.824 0.774 0.895 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -8.648 2.514 0.192 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.421 0.411 3.251 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.247 2.154 2.547 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.633 1.105 4.083 1.00 0.00 H new ATOM 485 N TYR A 35 -6.616 0.829 -4.289 1.00 0.00 N ATOM 486 CA TYR A 35 -6.197 1.073 -5.664 1.00 0.00 C ATOM 487 C TYR A 35 -6.900 2.299 -6.238 1.00 0.00 C ATOM 488 O TYR A 35 -7.998 2.654 -5.813 1.00 0.00 O ATOM 489 CB TYR A 35 -6.489 -0.150 -6.534 1.00 0.00 C ATOM 490 CG TYR A 35 -6.366 0.117 -8.017 1.00 0.00 C ATOM 491 CD1 TYR A 35 -5.157 0.516 -8.572 1.00 0.00 C ATOM 492 CD2 TYR A 35 -7.459 -0.027 -8.862 1.00 0.00 C ATOM 493 CE1 TYR A 35 -5.039 0.762 -9.927 1.00 0.00 C ATOM 494 CE2 TYR A 35 -7.351 0.216 -10.217 1.00 0.00 C ATOM 495 CZ TYR A 35 -6.139 0.610 -10.745 1.00 0.00 C ATOM 496 OH TYR A 35 -6.028 0.855 -12.095 1.00 0.00 O ATOM 0 H TYR A 35 -7.608 0.617 -4.182 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.123 1.260 -5.661 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.804 -0.952 -6.260 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.497 -0.505 -6.320 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.294 0.636 -7.934 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.410 -0.334 -8.452 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -4.091 1.071 -10.343 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.211 0.098 -10.860 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.894 0.701 -12.528 1.00 0.00 H new ATOM 506 N ASN A 36 -6.257 2.942 -7.208 1.00 0.00 N ATOM 507 CA ASN A 36 -6.820 4.128 -7.842 1.00 0.00 C ATOM 508 C ASN A 36 -6.681 4.052 -9.360 1.00 0.00 C ATOM 509 O ASN A 36 -5.637 4.367 -9.929 1.00 0.00 O ATOM 510 CB ASN A 36 -6.128 5.388 -7.319 1.00 0.00 C ATOM 511 CG ASN A 36 -6.816 6.659 -7.779 1.00 0.00 C ATOM 512 OD1 ASN A 36 -7.141 6.811 -8.956 1.00 0.00 O ATOM 513 ND2 ASN A 36 -7.041 7.580 -6.848 1.00 0.00 N ATOM 0 H ASN A 36 -5.346 2.661 -7.572 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.880 4.173 -7.594 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.108 5.363 -6.229 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.092 5.397 -7.656 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.500 8.456 -7.098 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.754 7.411 -5.884 1.00 0.00 H new ATOM 520 N PRO A 37 -7.760 3.623 -10.031 1.00 0.00 N ATOM 521 CA PRO A 37 -7.785 3.496 -11.492 1.00 0.00 C ATOM 522 C PRO A 37 -7.766 4.850 -12.192 1.00 0.00 C ATOM 523 O PRO A 37 -7.726 4.926 -13.420 1.00 0.00 O ATOM 524 CB PRO A 37 -9.106 2.772 -11.763 1.00 0.00 C ATOM 525 CG PRO A 37 -9.967 3.106 -10.594 1.00 0.00 C ATOM 526 CD PRO A 37 -9.039 3.229 -9.417 1.00 0.00 C ATOM 0 HA PRO A 37 -6.909 2.969 -11.870 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.558 3.108 -12.696 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.957 1.696 -11.850 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.509 4.036 -10.762 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.712 2.329 -10.424 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.390 3.976 -8.705 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -8.951 2.288 -8.874 1.00 0.00 H new ATOM 534 N THR A 38 -7.795 5.920 -11.403 1.00 0.00 N ATOM 535 CA THR A 38 -7.782 7.271 -11.947 1.00 0.00 C ATOM 536 C THR A 38 -6.368 7.842 -11.969 1.00 0.00 C ATOM 537 O THR A 38 -6.010 8.608 -12.864 1.00 0.00 O ATOM 538 CB THR A 38 -8.691 8.213 -11.135 1.00 0.00 C ATOM 539 OG1 THR A 38 -10.025 7.695 -11.099 1.00 0.00 O ATOM 540 CG2 THR A 38 -8.699 9.610 -11.737 1.00 0.00 C ATOM 0 H THR A 38 -7.828 5.876 -10.384 1.00 0.00 H new ATOM 0 HA THR A 38 -8.160 7.204 -12.967 1.00 0.00 H new ATOM 0 HB THR A 38 -8.299 8.275 -10.120 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.650 8.416 -10.873 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.348 10.257 -11.146 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.686 10.013 -11.735 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.069 9.563 -12.761 1.00 0.00 H new ATOM 548 N THR A 39 -5.567 7.464 -10.978 1.00 0.00 N ATOM 549 CA THR A 39 -4.192 7.938 -10.883 1.00 0.00 C ATOM 550 C THR A 39 -3.207 6.775 -10.904 1.00 0.00 C ATOM 551 O THR A 39 -2.018 6.952 -10.639 1.00 0.00 O ATOM 552 CB THR A 39 -3.970 8.762 -9.600 1.00 0.00 C ATOM 553 OG1 THR A 39 -4.190 7.943 -8.447 1.00 0.00 O ATOM 554 CG2 THR A 39 -4.901 9.964 -9.561 1.00 0.00 C ATOM 0 H THR A 39 -5.847 6.830 -10.229 1.00 0.00 H new ATOM 0 HA THR A 39 -4.016 8.575 -11.750 1.00 0.00 H new ATOM 0 HB THR A 39 -2.941 9.120 -9.598 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.046 8.474 -7.636 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.726 10.530 -8.646 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.709 10.601 -10.424 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.936 9.623 -9.584 1.00 0.00 H new ATOM 562 N ARG A 40 -3.708 5.586 -11.221 1.00 0.00 N ATOM 563 CA ARG A 40 -2.871 4.394 -11.275 1.00 0.00 C ATOM 564 C ARG A 40 -2.020 4.269 -10.015 1.00 0.00 C ATOM 565 O ARG A 40 -0.860 3.859 -10.075 1.00 0.00 O ATOM 566 CB ARG A 40 -1.970 4.433 -12.511 1.00 0.00 C ATOM 567 CG ARG A 40 -2.729 4.642 -13.811 1.00 0.00 C ATOM 568 CD ARG A 40 -1.826 4.453 -15.020 1.00 0.00 C ATOM 569 NE ARG A 40 -2.569 4.005 -16.195 1.00 0.00 N ATOM 570 CZ ARG A 40 -1.991 3.556 -17.303 1.00 0.00 C ATOM 571 NH1 ARG A 40 -0.669 3.496 -17.388 1.00 0.00 N ATOM 572 NH2 ARG A 40 -2.736 3.167 -18.330 1.00 0.00 N ATOM 0 H ARG A 40 -4.690 5.422 -11.444 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.525 3.524 -11.338 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.240 5.234 -12.393 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.411 3.499 -12.572 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.562 3.941 -13.864 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.156 5.645 -13.827 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.322 5.393 -15.246 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.050 3.725 -14.783 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.588 4.039 -16.163 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.093 3.795 -16.601 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.228 3.151 -18.240 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.753 3.213 -18.269 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.291 2.822 -19.181 1.00 0.00 H new ATOM 586 N LEU A 41 -2.602 4.625 -8.876 1.00 0.00 N ATOM 587 CA LEU A 41 -1.897 4.554 -7.601 1.00 0.00 C ATOM 588 C LEU A 41 -2.436 3.413 -6.744 1.00 0.00 C ATOM 589 O LEU A 41 -3.643 3.302 -6.529 1.00 0.00 O ATOM 590 CB LEU A 41 -2.028 5.879 -6.848 1.00 0.00 C ATOM 591 CG LEU A 41 -0.868 6.243 -5.922 1.00 0.00 C ATOM 592 CD1 LEU A 41 -0.608 5.123 -4.926 1.00 0.00 C ATOM 593 CD2 LEU A 41 0.387 6.542 -6.730 1.00 0.00 C ATOM 0 H LEU A 41 -3.561 4.966 -8.809 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.844 4.363 -7.807 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.148 6.679 -7.579 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.943 5.848 -6.256 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.141 7.140 -5.366 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.221 5.400 -4.275 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.502 4.956 -4.324 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.357 4.209 -5.464 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.202 6.799 -6.054 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.662 5.663 -7.313 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.196 7.378 -7.403 1.00 0.00 H new ATOM 605 N SER A 42 -1.533 2.570 -6.255 1.00 0.00 N ATOM 606 CA SER A 42 -1.918 1.436 -5.422 1.00 0.00 C ATOM 607 C SER A 42 -1.001 1.318 -4.208 1.00 0.00 C ATOM 608 O SER A 42 0.207 1.125 -4.345 1.00 0.00 O ATOM 609 CB SER A 42 -1.876 0.141 -6.235 1.00 0.00 C ATOM 610 OG SER A 42 -0.548 -0.181 -6.613 1.00 0.00 O ATOM 0 H SER A 42 -0.530 2.650 -6.421 1.00 0.00 H new ATOM 0 HA SER A 42 -2.936 1.603 -5.072 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.298 -0.675 -5.648 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.496 0.247 -7.126 1.00 0.00 H new ATOM 0 HG SER A 42 0.082 0.281 -6.021 1.00 0.00 H new ATOM 616 N MET A 43 -1.584 1.435 -3.020 1.00 0.00 N ATOM 617 CA MET A 43 -0.821 1.341 -1.781 1.00 0.00 C ATOM 618 C MET A 43 -1.347 0.210 -0.903 1.00 0.00 C ATOM 619 O MET A 43 -2.511 -0.178 -1.006 1.00 0.00 O ATOM 620 CB MET A 43 -0.881 2.665 -1.017 1.00 0.00 C ATOM 621 CG MET A 43 -0.843 3.889 -1.918 1.00 0.00 C ATOM 622 SD MET A 43 -0.098 5.320 -1.114 1.00 0.00 S ATOM 623 CE MET A 43 -0.854 5.229 0.507 1.00 0.00 C ATOM 0 H MET A 43 -2.583 1.595 -2.889 1.00 0.00 H new ATOM 0 HA MET A 43 0.216 1.126 -2.038 1.00 0.00 H new ATOM 0 HB2 MET A 43 -1.794 2.690 -0.422 1.00 0.00 H new ATOM 0 HB3 MET A 43 -0.044 2.711 -0.320 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.282 3.652 -2.822 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.858 4.139 -2.228 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.884 6.224 0.951 1.00 0.00 H new ATOM 0 HE2 MET A 43 -1.869 4.842 0.414 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.270 4.565 1.144 1.00 0.00 H new ATOM 633 N TRP A 44 -0.483 -0.316 -0.043 1.00 0.00 N ATOM 634 CA TRP A 44 -0.861 -1.403 0.853 1.00 0.00 C ATOM 635 C TRP A 44 -1.659 -0.877 2.041 1.00 0.00 C ATOM 636 O TRP A 44 -2.401 -1.623 2.681 1.00 0.00 O ATOM 637 CB TRP A 44 0.384 -2.142 1.346 1.00 0.00 C ATOM 638 CG TRP A 44 0.788 -3.282 0.461 1.00 0.00 C ATOM 639 CD1 TRP A 44 1.858 -3.324 -0.386 1.00 0.00 C ATOM 640 CD2 TRP A 44 0.124 -4.545 0.334 1.00 0.00 C ATOM 641 NE1 TRP A 44 1.901 -4.536 -1.031 1.00 0.00 N ATOM 642 CE2 TRP A 44 0.849 -5.303 -0.606 1.00 0.00 C ATOM 643 CE3 TRP A 44 -1.009 -5.109 0.925 1.00 0.00 C ATOM 644 CZ2 TRP A 44 0.474 -6.594 -0.968 1.00 0.00 C ATOM 645 CZ3 TRP A 44 -1.380 -6.391 0.564 1.00 0.00 C ATOM 646 CH2 TRP A 44 -0.640 -7.122 -0.374 1.00 0.00 C ATOM 0 H TRP A 44 0.484 -0.008 0.053 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.490 -2.097 0.296 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.212 -1.436 1.418 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.199 -2.520 2.351 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.567 -2.522 -0.528 1.00 0.00 H new ATOM 0 HE1 TRP A 44 2.603 -4.819 -1.715 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.585 -4.554 1.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.042 -7.159 -1.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -2.255 -6.836 1.013 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.955 -8.122 -0.634 1.00 0.00 H new ATOM 657 N ASP A 45 -1.503 0.410 2.330 1.00 0.00 N ATOM 658 CA ASP A 45 -2.211 1.035 3.441 1.00 0.00 C ATOM 659 C ASP A 45 -3.222 2.058 2.934 1.00 0.00 C ATOM 660 O ASP A 45 -3.274 2.356 1.740 1.00 0.00 O ATOM 661 CB ASP A 45 -1.219 1.708 4.391 1.00 0.00 C ATOM 662 CG ASP A 45 -1.845 2.063 5.725 1.00 0.00 C ATOM 663 OD1 ASP A 45 -1.989 1.158 6.573 1.00 0.00 O ATOM 664 OD2 ASP A 45 -2.193 3.247 5.922 1.00 0.00 O ATOM 0 H ASP A 45 -0.893 1.041 1.810 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.749 0.256 3.981 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.371 1.044 4.556 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.829 2.612 3.924 1.00 0.00 H new ATOM 669 N ARG A 46 -4.026 2.591 3.848 1.00 0.00 N ATOM 670 CA ARG A 46 -5.038 3.579 3.493 1.00 0.00 C ATOM 671 C ARG A 46 -4.413 4.960 3.320 1.00 0.00 C ATOM 672 O ARG A 46 -3.854 5.537 4.254 1.00 0.00 O ATOM 673 CB ARG A 46 -6.128 3.631 4.565 1.00 0.00 C ATOM 674 CG ARG A 46 -7.315 4.502 4.185 1.00 0.00 C ATOM 675 CD ARG A 46 -7.134 5.932 4.670 1.00 0.00 C ATOM 676 NE ARG A 46 -7.475 6.077 6.082 1.00 0.00 N ATOM 677 CZ ARG A 46 -8.721 6.153 6.534 1.00 0.00 C ATOM 678 NH1 ARG A 46 -9.741 6.097 5.688 1.00 0.00 N ATOM 679 NH2 ARG A 46 -8.950 6.285 7.835 1.00 0.00 N ATOM 0 H ARG A 46 -3.996 2.355 4.840 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.484 3.280 2.545 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.480 2.618 4.763 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.696 4.005 5.493 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.440 4.497 3.102 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.226 4.084 4.613 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.100 6.240 4.513 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.759 6.598 4.076 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.714 6.122 6.759 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.569 5.995 4.688 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.697 6.156 6.038 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.168 6.328 8.489 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.908 6.343 8.181 1.00 0.00 H new ATOM 693 N PRO A 47 -4.508 5.504 2.098 1.00 0.00 N ATOM 694 CA PRO A 47 -3.957 6.824 1.774 1.00 0.00 C ATOM 695 C PRO A 47 -4.730 7.955 2.445 1.00 0.00 C ATOM 696 O PRO A 47 -5.867 7.770 2.878 1.00 0.00 O ATOM 697 CB PRO A 47 -4.103 6.905 0.253 1.00 0.00 C ATOM 698 CG PRO A 47 -5.232 5.987 -0.069 1.00 0.00 C ATOM 699 CD PRO A 47 -5.160 4.874 0.938 1.00 0.00 C ATOM 0 HA PRO A 47 -2.931 6.935 2.124 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.317 7.924 -0.070 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.186 6.597 -0.250 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.188 6.507 -0.008 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.144 5.601 -1.084 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.151 4.496 1.190 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.583 4.029 0.562 1.00 0.00 H new ATOM 707 N ASP A 48 -4.106 9.124 2.526 1.00 0.00 N ATOM 708 CA ASP A 48 -4.736 10.286 3.143 1.00 0.00 C ATOM 709 C ASP A 48 -6.010 10.672 2.399 1.00 0.00 C ATOM 710 O ASP A 48 -7.054 10.899 3.011 1.00 0.00 O ATOM 711 CB ASP A 48 -3.765 11.468 3.165 1.00 0.00 C ATOM 712 CG ASP A 48 -2.847 11.486 1.958 1.00 0.00 C ATOM 713 OD1 ASP A 48 -1.853 10.730 1.958 1.00 0.00 O ATOM 714 OD2 ASP A 48 -3.125 12.254 1.014 1.00 0.00 O ATOM 0 H ASP A 48 -3.164 9.293 2.172 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.000 10.024 4.168 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.331 12.399 3.201 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.165 11.424 4.074 1.00 0.00 H new ATOM 719 N ASP A 49 -5.917 10.745 1.076 1.00 0.00 N ATOM 720 CA ASP A 49 -7.062 11.104 0.247 1.00 0.00 C ATOM 721 C ASP A 49 -8.343 10.476 0.789 1.00 0.00 C ATOM 722 O ASP A 49 -9.440 10.993 0.574 1.00 0.00 O ATOM 723 CB ASP A 49 -6.833 10.660 -1.198 1.00 0.00 C ATOM 724 CG ASP A 49 -5.790 11.504 -1.905 1.00 0.00 C ATOM 725 OD1 ASP A 49 -5.929 12.745 -1.900 1.00 0.00 O ATOM 726 OD2 ASP A 49 -4.836 10.923 -2.462 1.00 0.00 O ATOM 0 H ASP A 49 -5.060 10.560 0.554 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.171 12.188 0.272 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.520 9.616 -1.209 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.774 10.716 -1.746 1.00 0.00 H new ATOM 731 N LEU A 50 -8.196 9.357 1.490 1.00 0.00 N ATOM 732 CA LEU A 50 -9.340 8.657 2.062 1.00 0.00 C ATOM 733 C LEU A 50 -9.475 8.958 3.551 1.00 0.00 C ATOM 734 O LEU A 50 -10.584 9.035 4.080 1.00 0.00 O ATOM 735 CB LEU A 50 -9.200 7.149 1.846 1.00 0.00 C ATOM 736 CG LEU A 50 -9.407 6.654 0.414 1.00 0.00 C ATOM 737 CD1 LEU A 50 -9.214 5.147 0.336 1.00 0.00 C ATOM 738 CD2 LEU A 50 -10.789 7.042 -0.090 1.00 0.00 C ATOM 0 H LEU A 50 -7.296 8.915 1.676 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.239 9.009 1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.206 6.846 2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.917 6.642 2.492 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.662 7.129 -0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.365 4.813 -0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.203 4.893 0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.935 4.654 0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.919 6.682 -1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.549 6.596 0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.891 8.127 -0.073 1.00 0.00 H new ATOM 750 N ILE A 51 -8.340 9.130 4.219 1.00 0.00 N ATOM 751 CA ILE A 51 -8.332 9.426 5.647 1.00 0.00 C ATOM 752 C ILE A 51 -9.354 10.505 5.990 1.00 0.00 C ATOM 753 O ILE A 51 -9.288 11.622 5.479 1.00 0.00 O ATOM 754 CB ILE A 51 -6.940 9.886 6.118 1.00 0.00 C ATOM 755 CG1 ILE A 51 -5.935 8.737 6.007 1.00 0.00 C ATOM 756 CG2 ILE A 51 -7.008 10.400 7.549 1.00 0.00 C ATOM 757 CD1 ILE A 51 -4.516 9.141 6.342 1.00 0.00 C ATOM 0 H ILE A 51 -7.414 9.070 3.795 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.595 8.502 6.163 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.606 10.700 5.475 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.242 7.931 6.674 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.961 8.339 4.993 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.016 10.721 7.868 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.697 11.243 7.600 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.360 9.604 8.205 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.859 8.277 6.242 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.190 9.926 5.659 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.475 9.511 7.366 1.00 0.00 H new ATOM 769 N GLY A 52 -10.299 10.162 6.860 1.00 0.00 N ATOM 770 CA GLY A 52 -11.321 11.112 7.258 1.00 0.00 C ATOM 771 C GLY A 52 -12.713 10.669 6.856 1.00 0.00 C ATOM 772 O GLY A 52 -13.691 10.977 7.537 1.00 0.00 O ATOM 0 H GLY A 52 -10.375 9.243 7.296 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.285 11.248 8.339 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.107 12.081 6.807 1.00 0.00 H new ATOM 776 N ARG A 53 -12.804 9.945 5.745 1.00 0.00 N ATOM 777 CA ARG A 53 -14.088 9.462 5.251 1.00 0.00 C ATOM 778 C ARG A 53 -14.503 8.184 5.975 1.00 0.00 C ATOM 779 O ARG A 53 -13.669 7.329 6.272 1.00 0.00 O ATOM 780 CB ARG A 53 -14.015 9.206 3.744 1.00 0.00 C ATOM 781 CG ARG A 53 -13.629 10.434 2.936 1.00 0.00 C ATOM 782 CD ARG A 53 -13.895 10.230 1.453 1.00 0.00 C ATOM 783 NE ARG A 53 -14.146 11.492 0.763 1.00 0.00 N ATOM 784 CZ ARG A 53 -13.197 12.378 0.481 1.00 0.00 C ATOM 785 NH1 ARG A 53 -11.940 12.139 0.828 1.00 0.00 N ATOM 786 NH2 ARG A 53 -13.505 13.504 -0.149 1.00 0.00 N ATOM 0 H ARG A 53 -12.004 9.680 5.170 1.00 0.00 H new ATOM 0 HA ARG A 53 -14.837 10.230 5.447 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -13.291 8.414 3.553 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.983 8.843 3.398 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -14.191 11.297 3.292 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.573 10.656 3.090 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.040 9.731 0.997 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -14.754 9.571 1.326 1.00 0.00 H new ATOM 0 HE ARG A 53 -15.103 11.705 0.482 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.700 11.274 1.312 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.213 12.820 0.611 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -14.471 13.690 -0.417 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.776 14.183 -0.365 1.00 0.00 H new ATOM 800 N ALA A 54 -15.796 8.063 6.257 1.00 0.00 N ATOM 801 CA ALA A 54 -16.321 6.890 6.945 1.00 0.00 C ATOM 802 C ALA A 54 -16.576 5.748 5.967 1.00 0.00 C ATOM 803 O ALA A 54 -16.331 4.583 6.281 1.00 0.00 O ATOM 804 CB ALA A 54 -17.599 7.244 7.690 1.00 0.00 C ATOM 0 H ALA A 54 -16.499 8.763 6.020 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.574 6.557 7.665 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.980 6.359 8.199 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -17.389 8.022 8.423 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -18.345 7.605 6.982 1.00 0.00 H new ATOM 810 N ASP A 55 -17.069 6.090 4.782 1.00 0.00 N ATOM 811 CA ASP A 55 -17.356 5.092 3.757 1.00 0.00 C ATOM 812 C ASP A 55 -16.191 4.120 3.604 1.00 0.00 C ATOM 813 O ASP A 55 -16.359 2.908 3.740 1.00 0.00 O ATOM 814 CB ASP A 55 -17.647 5.774 2.419 1.00 0.00 C ATOM 815 CG ASP A 55 -16.907 7.088 2.266 1.00 0.00 C ATOM 816 OD1 ASP A 55 -15.754 7.068 1.786 1.00 0.00 O ATOM 817 OD2 ASP A 55 -17.481 8.137 2.625 1.00 0.00 O ATOM 0 H ASP A 55 -17.278 7.050 4.507 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.236 4.529 4.068 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -17.366 5.105 1.605 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -18.719 5.952 2.331 1.00 0.00 H new ATOM 822 N VAL A 56 -15.010 4.659 3.319 1.00 0.00 N ATOM 823 CA VAL A 56 -13.817 3.839 3.147 1.00 0.00 C ATOM 824 C VAL A 56 -13.706 2.791 4.248 1.00 0.00 C ATOM 825 O VAL A 56 -13.418 1.624 3.983 1.00 0.00 O ATOM 826 CB VAL A 56 -12.540 4.700 3.142 1.00 0.00 C ATOM 827 CG1 VAL A 56 -12.508 5.614 4.358 1.00 0.00 C ATOM 828 CG2 VAL A 56 -11.302 3.817 3.097 1.00 0.00 C ATOM 0 H VAL A 56 -14.854 5.660 3.202 1.00 0.00 H new ATOM 0 HA VAL A 56 -13.913 3.339 2.183 1.00 0.00 H new ATOM 0 HB VAL A 56 -12.547 5.323 2.248 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.599 6.215 4.338 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -13.378 6.271 4.342 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.525 5.012 5.266 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.409 4.442 3.094 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.287 3.167 3.972 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.322 3.208 2.193 1.00 0.00 H new ATOM 838 N ASP A 57 -13.938 3.215 5.486 1.00 0.00 N ATOM 839 CA ASP A 57 -13.866 2.313 6.629 1.00 0.00 C ATOM 840 C ASP A 57 -14.932 1.226 6.531 1.00 0.00 C ATOM 841 O ASP A 57 -14.617 0.045 6.378 1.00 0.00 O ATOM 842 CB ASP A 57 -14.035 3.094 7.933 1.00 0.00 C ATOM 843 CG ASP A 57 -12.776 3.840 8.329 1.00 0.00 C ATOM 844 OD1 ASP A 57 -11.878 3.212 8.928 1.00 0.00 O ATOM 845 OD2 ASP A 57 -12.689 5.051 8.040 1.00 0.00 O ATOM 0 H ASP A 57 -14.177 4.178 5.723 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.885 1.837 6.624 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.855 3.804 7.824 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.312 2.406 8.732 1.00 0.00 H new ATOM 850 N LYS A 58 -16.194 1.631 6.622 1.00 0.00 N ATOM 851 CA LYS A 58 -17.307 0.693 6.544 1.00 0.00 C ATOM 852 C LYS A 58 -16.996 -0.440 5.571 1.00 0.00 C ATOM 853 O LYS A 58 -17.080 -1.616 5.926 1.00 0.00 O ATOM 854 CB LYS A 58 -18.582 1.418 6.107 1.00 0.00 C ATOM 855 CG LYS A 58 -19.853 0.802 6.667 1.00 0.00 C ATOM 856 CD LYS A 58 -21.059 1.694 6.423 1.00 0.00 C ATOM 857 CE LYS A 58 -21.735 1.368 5.100 1.00 0.00 C ATOM 858 NZ LYS A 58 -23.099 1.960 5.014 1.00 0.00 N ATOM 0 H LYS A 58 -16.472 2.604 6.750 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.460 0.266 7.535 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -18.524 2.460 6.422 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -18.636 1.416 5.018 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -20.020 -0.172 6.206 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -19.735 0.632 7.737 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -21.773 1.573 7.237 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -20.747 2.738 6.426 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -21.124 1.742 4.278 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -21.800 0.286 4.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -23.526 1.715 4.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -23.690 1.584 5.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -23.035 2.994 5.101 1.00 0.00 H new ATOM 872 N ILE A 59 -16.634 -0.079 4.344 1.00 0.00 N ATOM 873 CA ILE A 59 -16.308 -1.066 3.322 1.00 0.00 C ATOM 874 C ILE A 59 -15.362 -2.129 3.868 1.00 0.00 C ATOM 875 O ILE A 59 -15.686 -3.317 3.876 1.00 0.00 O ATOM 876 CB ILE A 59 -15.665 -0.406 2.088 1.00 0.00 C ATOM 877 CG1 ILE A 59 -16.601 0.653 1.502 1.00 0.00 C ATOM 878 CG2 ILE A 59 -15.326 -1.458 1.042 1.00 0.00 C ATOM 879 CD1 ILE A 59 -15.916 1.600 0.542 1.00 0.00 C ATOM 0 H ILE A 59 -16.559 0.890 4.034 1.00 0.00 H new ATOM 0 HA ILE A 59 -17.246 -1.536 3.025 1.00 0.00 H new ATOM 0 HB ILE A 59 -14.741 0.084 2.396 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -17.421 0.155 0.985 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -17.040 1.229 2.317 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -14.872 -0.977 0.176 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -14.626 -2.179 1.465 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -16.236 -1.973 0.736 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -16.640 2.323 0.166 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -15.113 2.125 1.060 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -15.501 1.035 -0.292 1.00 0.00 H new ATOM 891 N ILE A 60 -14.192 -1.695 4.324 1.00 0.00 N ATOM 892 CA ILE A 60 -13.199 -2.610 4.874 1.00 0.00 C ATOM 893 C ILE A 60 -13.766 -3.388 6.057 1.00 0.00 C ATOM 894 O ILE A 60 -13.621 -4.608 6.135 1.00 0.00 O ATOM 895 CB ILE A 60 -11.932 -1.860 5.327 1.00 0.00 C ATOM 896 CG1 ILE A 60 -11.268 -1.169 4.134 1.00 0.00 C ATOM 897 CG2 ILE A 60 -10.961 -2.819 5.999 1.00 0.00 C ATOM 898 CD1 ILE A 60 -10.457 0.049 4.516 1.00 0.00 C ATOM 0 H ILE A 60 -13.908 -0.715 4.324 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.934 -3.305 4.077 1.00 0.00 H new ATOM 0 HB ILE A 60 -12.218 -1.097 6.051 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -10.619 -1.883 3.626 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -12.038 -0.874 3.421 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.071 -2.274 6.314 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -11.438 -3.269 6.870 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -10.678 -3.602 5.296 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.016 0.488 3.621 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -11.105 0.781 4.997 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -9.665 -0.243 5.205 1.00 0.00 H new ATOM 910 N GLN A 61 -14.412 -2.675 6.973 1.00 0.00 N ATOM 911 CA GLN A 61 -15.001 -3.300 8.152 1.00 0.00 C ATOM 912 C GLN A 61 -15.833 -4.518 7.763 1.00 0.00 C ATOM 913 O GLN A 61 -15.668 -5.599 8.328 1.00 0.00 O ATOM 914 CB GLN A 61 -15.870 -2.294 8.908 1.00 0.00 C ATOM 915 CG GLN A 61 -15.086 -1.127 9.486 1.00 0.00 C ATOM 916 CD GLN A 61 -15.753 -0.524 10.708 1.00 0.00 C ATOM 917 OE1 GLN A 61 -16.738 0.206 10.595 1.00 0.00 O ATOM 918 NE2 GLN A 61 -15.218 -0.828 11.885 1.00 0.00 N ATOM 0 H GLN A 61 -14.541 -1.664 6.922 1.00 0.00 H new ATOM 0 HA GLN A 61 -14.190 -3.629 8.802 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -16.635 -1.909 8.234 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -16.388 -2.809 9.717 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -14.084 -1.464 9.753 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -14.971 -0.358 8.723 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -14.401 -1.437 11.932 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -15.624 -0.452 12.742 1.00 0.00 H new ATOM 927 N GLU A 62 -16.727 -4.334 6.796 1.00 0.00 N ATOM 928 CA GLU A 62 -17.585 -5.418 6.334 1.00 0.00 C ATOM 929 C GLU A 62 -17.435 -5.628 4.830 1.00 0.00 C ATOM 930 O GLU A 62 -18.181 -5.074 4.023 1.00 0.00 O ATOM 931 CB GLU A 62 -19.047 -5.122 6.675 1.00 0.00 C ATOM 932 CG GLU A 62 -19.405 -5.413 8.123 1.00 0.00 C ATOM 933 CD GLU A 62 -20.873 -5.177 8.420 1.00 0.00 C ATOM 934 OE1 GLU A 62 -21.704 -6.006 7.994 1.00 0.00 O ATOM 935 OE2 GLU A 62 -21.191 -4.164 9.076 1.00 0.00 O ATOM 0 H GLU A 62 -16.875 -3.445 6.318 1.00 0.00 H new ATOM 0 HA GLU A 62 -17.278 -6.332 6.843 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -19.256 -4.074 6.461 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -19.690 -5.714 6.024 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -19.153 -6.448 8.355 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.800 -4.784 8.776 1.00 0.00 H new ATOM 942 N PRO A 63 -16.445 -6.447 4.443 1.00 0.00 N ATOM 943 CA PRO A 63 -16.173 -6.749 3.035 1.00 0.00 C ATOM 944 C PRO A 63 -17.263 -7.609 2.405 1.00 0.00 C ATOM 945 O PRO A 63 -17.921 -8.406 3.073 1.00 0.00 O ATOM 946 CB PRO A 63 -14.849 -7.516 3.086 1.00 0.00 C ATOM 947 CG PRO A 63 -14.812 -8.117 4.449 1.00 0.00 C ATOM 948 CD PRO A 63 -15.516 -7.141 5.351 1.00 0.00 C ATOM 0 HA PRO A 63 -16.135 -5.847 2.425 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.806 -8.284 2.313 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -14.000 -6.852 2.923 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.308 -9.087 4.461 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -13.785 -8.280 4.776 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -16.046 -7.649 6.157 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -14.816 -6.447 5.817 1.00 0.00 H new ATOM 956 N PRO A 64 -17.460 -7.445 1.088 1.00 0.00 N ATOM 957 CA PRO A 64 -18.470 -8.200 0.340 1.00 0.00 C ATOM 958 C PRO A 64 -18.107 -9.674 0.202 1.00 0.00 C ATOM 959 O PRO A 64 -18.931 -10.553 0.460 1.00 0.00 O ATOM 960 CB PRO A 64 -18.475 -7.520 -1.032 1.00 0.00 C ATOM 961 CG PRO A 64 -17.119 -6.916 -1.161 1.00 0.00 C ATOM 962 CD PRO A 64 -16.712 -6.512 0.229 1.00 0.00 C ATOM 0 HA PRO A 64 -19.439 -8.192 0.840 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -18.666 -8.239 -1.829 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -19.254 -6.760 -1.094 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -16.412 -7.631 -1.583 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -17.137 -6.054 -1.828 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -15.636 -6.605 0.376 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -16.974 -5.475 0.439 1.00 0.00 H new ATOM 970 N HIS A 65 -16.871 -9.940 -0.206 1.00 0.00 N ATOM 971 CA HIS A 65 -16.399 -11.310 -0.377 1.00 0.00 C ATOM 972 C HIS A 65 -16.806 -12.176 0.811 1.00 0.00 C ATOM 973 O HIS A 65 -16.868 -13.401 0.707 1.00 0.00 O ATOM 974 CB HIS A 65 -14.879 -11.331 -0.542 1.00 0.00 C ATOM 975 CG HIS A 65 -14.138 -11.454 0.753 1.00 0.00 C ATOM 976 ND1 HIS A 65 -13.688 -10.365 1.469 1.00 0.00 N ATOM 977 CD2 HIS A 65 -13.769 -12.547 1.462 1.00 0.00 C ATOM 978 CE1 HIS A 65 -13.073 -10.783 2.561 1.00 0.00 C ATOM 979 NE2 HIS A 65 -13.109 -12.103 2.581 1.00 0.00 N ATOM 0 H HIS A 65 -16.177 -9.225 -0.425 1.00 0.00 H new ATOM 0 HA HIS A 65 -16.860 -11.718 -1.277 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -14.604 -12.164 -1.189 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -14.564 -10.417 -1.046 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -13.959 -13.577 1.197 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.618 -10.152 3.310 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -12.711 -12.696 3.309 1.00 0.00 H new