USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 613 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 926 THR OG1 : rot -100:sc= -1.21 USER MOD Single : A 929 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 931 GLN :FLIP amide:sc= -1.4 F(o=-1.9!,f=-1.4) USER MOD Single : A 932 ASN : amide:sc= -0.294 X(o=-0.29,f=-0.12) USER MOD Single : A 933 MET CE :methyl -171:sc= -1.42 (180deg=-1.59) USER MOD Single : A 936 THR OG1 : rot 180:sc= 0 USER MOD Single : A 938 SER OG : rot 20:sc= 1.13 USER MOD Single : A 947 TYR OH : rot 180:sc= 0 USER MOD Single : A 949 TYR OH : rot 180:sc= 0 USER MOD Single : A 950 GLN : amide:sc=-0.00122 X(o=-0.0012,f=-0.00056) USER MOD Single : A 955 SER OG : rot -96:sc= -0.4 USER MOD Single : A 957 CYS SG : rot 180:sc= 0 USER MOD Single : A 959 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 960 TYR OH : rot 180:sc= 0 USER MOD Single : A 961 ASN : amide:sc= -2.29 K(o=-2.3,f=-16!) USER MOD Single : A 963 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00517) USER MOD Single : A 965 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 967 THR OG1 : rot 130:sc= -0.24 USER MOD Single : A 971 MET CE :methyl -167:sc= 0 (180deg=-0.205) USER MOD Single : A 976 SER OG : rot 180:sc= 0 USER MOD Single : A 981 THR OG1 : rot 75:sc= 1.1 USER MOD Single : A 988 ASN : amide:sc= -1.03 K(o=-1,f=-1.8) USER MOD Single : A 994 SER OG : rot 180:sc= 0 USER MOD Single : A 996 LYS NZ :NH3+ -162:sc= -0.0213 (180deg=-0.207) USER MOD Single : A 998 LYS NZ :NH3+ -172:sc=-0.00125 (180deg=-0.0871) USER MOD ----------------------------------------------------------------- ATOM 148 N PRO A 925 -3.856 13.040 7.762 1.00 0.00 N ATOM 149 CA PRO A 925 -3.371 13.030 6.378 1.00 0.00 C ATOM 150 C PRO A 925 -3.285 11.620 5.805 1.00 0.00 C ATOM 151 O PRO A 925 -3.372 10.633 6.537 1.00 0.00 O ATOM 152 CB PRO A 925 -1.975 13.649 6.487 1.00 0.00 C ATOM 153 CG PRO A 925 -1.548 13.376 7.888 1.00 0.00 C ATOM 154 CD PRO A 925 -2.801 13.416 8.718 1.00 0.00 C ATOM 0 HA PRO A 925 -4.040 13.569 5.707 1.00 0.00 H new ATOM 0 HB2 PRO A 925 -1.287 13.203 5.769 1.00 0.00 H new ATOM 0 HB3 PRO A 925 -1.999 14.719 6.282 1.00 0.00 H new ATOM 0 HG2 PRO A 925 -1.060 12.404 7.965 1.00 0.00 H new ATOM 0 HG3 PRO A 925 -0.830 14.121 8.229 1.00 0.00 H new ATOM 0 HD2 PRO A 925 -2.751 12.720 9.555 1.00 0.00 H new ATOM 0 HD3 PRO A 925 -2.974 14.407 9.138 1.00 0.00 H new ATOM 162 N THR A 926 -3.112 11.530 4.490 1.00 0.00 N ATOM 163 CA THR A 926 -3.015 10.240 3.818 1.00 0.00 C ATOM 164 C THR A 926 -1.561 9.859 3.567 1.00 0.00 C ATOM 165 O THR A 926 -0.834 10.569 2.871 1.00 0.00 O ATOM 166 CB THR A 926 -3.770 10.248 2.475 1.00 0.00 C ATOM 167 OG1 THR A 926 -5.034 10.904 2.628 1.00 0.00 O ATOM 168 CG2 THR A 926 -3.988 8.830 1.969 1.00 0.00 C ATOM 0 H THR A 926 -3.036 12.336 3.869 1.00 0.00 H new ATOM 0 HA THR A 926 -3.472 9.504 4.480 1.00 0.00 H new ATOM 0 HB THR A 926 -3.166 10.789 1.747 1.00 0.00 H new ATOM 0 HG1 THR A 926 -5.742 10.233 2.719 1.00 0.00 H new ATOM 0 HG21 THR A 926 -4.523 8.861 1.020 1.00 0.00 H new ATOM 0 HG22 THR A 926 -3.024 8.342 1.827 1.00 0.00 H new ATOM 0 HG23 THR A 926 -4.574 8.270 2.698 1.00 0.00 H new ATOM 176 N ILE A 927 -1.142 8.735 4.138 1.00 0.00 N ATOM 177 CA ILE A 927 0.226 8.259 3.974 1.00 0.00 C ATOM 178 C ILE A 927 0.342 7.320 2.778 1.00 0.00 C ATOM 179 O ILE A 927 -0.426 6.366 2.647 1.00 0.00 O ATOM 180 CB ILE A 927 0.723 7.528 5.235 1.00 0.00 C ATOM 181 CG1 ILE A 927 0.653 8.457 6.450 1.00 0.00 C ATOM 182 CG2 ILE A 927 2.143 7.023 5.030 1.00 0.00 C ATOM 183 CD1 ILE A 927 1.439 9.738 6.277 1.00 0.00 C ATOM 0 H ILE A 927 -1.730 8.137 4.718 1.00 0.00 H new ATOM 0 HA ILE A 927 0.847 9.138 3.805 1.00 0.00 H new ATOM 0 HB ILE A 927 0.076 6.670 5.418 1.00 0.00 H new ATOM 0 HG12 ILE A 927 -0.390 8.704 6.649 1.00 0.00 H new ATOM 0 HG13 ILE A 927 1.027 7.926 7.325 1.00 0.00 H new ATOM 0 HG21 ILE A 927 2.480 6.509 5.930 1.00 0.00 H new ATOM 0 HG22 ILE A 927 2.165 6.332 4.187 1.00 0.00 H new ATOM 0 HG23 ILE A 927 2.803 7.866 4.825 1.00 0.00 H new ATOM 0 HD11 ILE A 927 1.344 10.347 7.176 1.00 0.00 H new ATOM 0 HD12 ILE A 927 2.489 9.500 6.109 1.00 0.00 H new ATOM 0 HD13 ILE A 927 1.050 10.291 5.422 1.00 0.00 H new ATOM 195 N ILE A 928 1.308 7.596 1.908 1.00 0.00 N ATOM 196 CA ILE A 928 1.527 6.774 0.724 1.00 0.00 C ATOM 197 C ILE A 928 2.756 5.888 0.889 1.00 0.00 C ATOM 198 O ILE A 928 3.715 6.256 1.568 1.00 0.00 O ATOM 199 CB ILE A 928 1.698 7.640 -0.538 1.00 0.00 C ATOM 200 CG1 ILE A 928 0.402 8.391 -0.848 1.00 0.00 C ATOM 201 CG2 ILE A 928 2.112 6.776 -1.721 1.00 0.00 C ATOM 202 CD1 ILE A 928 0.568 9.484 -1.880 1.00 0.00 C ATOM 0 H ILE A 928 1.951 8.382 2.001 1.00 0.00 H new ATOM 0 HA ILE A 928 0.643 6.147 0.608 1.00 0.00 H new ATOM 0 HB ILE A 928 2.484 8.372 -0.354 1.00 0.00 H new ATOM 0 HG12 ILE A 928 -0.345 7.680 -1.201 1.00 0.00 H new ATOM 0 HG13 ILE A 928 0.016 8.828 0.073 1.00 0.00 H new ATOM 0 HG21 ILE A 928 2.229 7.402 -2.606 1.00 0.00 H new ATOM 0 HG22 ILE A 928 3.058 6.283 -1.498 1.00 0.00 H new ATOM 0 HG23 ILE A 928 1.346 6.024 -1.908 1.00 0.00 H new ATOM 0 HD11 ILE A 928 -0.391 9.973 -2.049 1.00 0.00 H new ATOM 0 HD12 ILE A 928 1.291 10.217 -1.521 1.00 0.00 H new ATOM 0 HD13 ILE A 928 0.924 9.051 -2.815 1.00 0.00 H new ATOM 214 N LYS A 929 2.723 4.717 0.262 1.00 0.00 N ATOM 215 CA LYS A 929 3.835 3.777 0.336 1.00 0.00 C ATOM 216 C LYS A 929 4.522 3.638 -1.019 1.00 0.00 C ATOM 217 O LYS A 929 3.877 3.341 -2.025 1.00 0.00 O ATOM 218 CB LYS A 929 3.343 2.408 0.813 1.00 0.00 C ATOM 219 CG LYS A 929 3.350 2.252 2.324 1.00 0.00 C ATOM 220 CD LYS A 929 3.049 0.821 2.738 1.00 0.00 C ATOM 221 CE LYS A 929 1.580 0.480 2.537 1.00 0.00 C ATOM 222 NZ LYS A 929 0.769 0.790 3.747 1.00 0.00 N ATOM 0 H LYS A 929 1.937 4.396 -0.304 1.00 0.00 H new ATOM 0 HA LYS A 929 4.559 4.166 1.052 1.00 0.00 H new ATOM 0 HB2 LYS A 929 2.330 2.246 0.444 1.00 0.00 H new ATOM 0 HB3 LYS A 929 3.970 1.632 0.373 1.00 0.00 H new ATOM 0 HG2 LYS A 929 4.323 2.549 2.717 1.00 0.00 H new ATOM 0 HG3 LYS A 929 2.611 2.922 2.763 1.00 0.00 H new ATOM 0 HD2 LYS A 929 3.666 0.136 2.157 1.00 0.00 H new ATOM 0 HD3 LYS A 929 3.316 0.680 3.785 1.00 0.00 H new ATOM 0 HE2 LYS A 929 1.191 1.038 1.686 1.00 0.00 H new ATOM 0 HE3 LYS A 929 1.482 -0.578 2.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 929 -0.226 0.544 3.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 929 1.124 0.238 4.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 929 0.841 1.805 3.963 1.00 0.00 H new ATOM 236 N VAL A 930 5.833 3.854 -1.038 1.00 0.00 N ATOM 237 CA VAL A 930 6.607 3.750 -2.269 1.00 0.00 C ATOM 238 C VAL A 930 7.510 2.523 -2.249 1.00 0.00 C ATOM 239 O VAL A 930 8.269 2.315 -1.303 1.00 0.00 O ATOM 240 CB VAL A 930 7.470 5.006 -2.497 1.00 0.00 C ATOM 241 CG1 VAL A 930 8.021 5.025 -3.914 1.00 0.00 C ATOM 242 CG2 VAL A 930 6.665 6.264 -2.211 1.00 0.00 C ATOM 0 H VAL A 930 6.382 4.102 -0.215 1.00 0.00 H new ATOM 0 HA VAL A 930 5.891 3.657 -3.086 1.00 0.00 H new ATOM 0 HB VAL A 930 8.313 4.977 -1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 930 8.628 5.919 -4.056 1.00 0.00 H new ATOM 0 HG12 VAL A 930 8.635 4.140 -4.077 1.00 0.00 H new ATOM 0 HG13 VAL A 930 7.195 5.030 -4.625 1.00 0.00 H new ATOM 0 HG21 VAL A 930 7.290 7.141 -2.377 1.00 0.00 H new ATOM 0 HG22 VAL A 930 5.802 6.302 -2.875 1.00 0.00 H new ATOM 0 HG23 VAL A 930 6.326 6.251 -1.175 1.00 0.00 H new ATOM 252 N GLN A 931 7.423 1.713 -3.299 1.00 0.00 N ATOM 253 CA GLN A 931 8.233 0.505 -3.401 1.00 0.00 C ATOM 254 C GLN A 931 8.827 0.364 -4.799 1.00 0.00 C ATOM 255 O GLN A 931 8.463 1.100 -5.715 1.00 0.00 O ATOM 256 CB GLN A 931 7.392 -0.728 -3.065 1.00 0.00 C ATOM 257 CG GLN A 931 8.065 -1.675 -2.084 1.00 0.00 C ATOM 258 CD GLN A 931 7.388 -1.688 -0.728 1.00 0.00 C ATOM 259 OE1 GLN A 931 7.306 -0.523 -0.096 1.00 0.00 O flip ATOM 260 NE2 GLN A 931 6.944 -2.734 -0.253 1.00 0.00 N flip ATOM 0 H GLN A 931 6.800 1.871 -4.091 1.00 0.00 H new ATOM 0 HA GLN A 931 9.051 0.585 -2.685 1.00 0.00 H new ATOM 0 HB2 GLN A 931 6.438 -0.404 -2.648 1.00 0.00 H new ATOM 0 HB3 GLN A 931 7.171 -1.268 -3.985 1.00 0.00 H new ATOM 0 HG2 GLN A 931 8.061 -2.684 -2.498 1.00 0.00 H new ATOM 0 HG3 GLN A 931 9.108 -1.385 -1.962 1.00 0.00 H new ATOM 0 HE21 GLN A 931 7.029 -3.607 -0.774 1.00 0.00 H new ATOM 0 HE22 GLN A 931 6.491 -2.727 0.661 1.00 0.00 H new ATOM 269 N ASN A 932 9.743 -0.586 -4.954 1.00 0.00 N ATOM 270 CA ASN A 932 10.388 -0.823 -6.241 1.00 0.00 C ATOM 271 C ASN A 932 11.271 0.358 -6.631 1.00 0.00 C ATOM 272 O ASN A 932 11.210 0.846 -7.760 1.00 0.00 O ATOM 273 CB ASN A 932 9.337 -1.068 -7.325 1.00 0.00 C ATOM 274 CG ASN A 932 9.843 -1.980 -8.425 1.00 0.00 C ATOM 275 OD1 ASN A 932 9.203 -2.975 -8.766 1.00 0.00 O ATOM 276 ND2 ASN A 932 10.999 -1.644 -8.987 1.00 0.00 N ATOM 0 H ASN A 932 10.056 -1.204 -4.205 1.00 0.00 H new ATOM 0 HA ASN A 932 11.016 -1.709 -6.147 1.00 0.00 H new ATOM 0 HB2 ASN A 932 8.448 -1.508 -6.873 1.00 0.00 H new ATOM 0 HB3 ASN A 932 9.036 -0.114 -7.758 1.00 0.00 H new ATOM 0 HD21 ASN A 932 11.390 -2.220 -9.733 1.00 0.00 H new ATOM 0 HD22 ASN A 932 11.496 -0.810 -8.673 1.00 0.00 H new ATOM 283 N MET A 933 12.092 0.813 -5.691 1.00 0.00 N ATOM 284 CA MET A 933 12.990 1.936 -5.937 1.00 0.00 C ATOM 285 C MET A 933 14.447 1.488 -5.889 1.00 0.00 C ATOM 286 O MET A 933 14.883 0.812 -4.957 1.00 0.00 O ATOM 287 CB MET A 933 12.750 3.043 -4.909 1.00 0.00 C ATOM 288 CG MET A 933 11.706 4.060 -5.344 1.00 0.00 C ATOM 289 SD MET A 933 11.644 5.498 -4.258 1.00 0.00 S ATOM 290 CE MET A 933 11.966 4.737 -2.669 1.00 0.00 C ATOM 0 H MET A 933 12.154 0.421 -4.751 1.00 0.00 H new ATOM 0 HA MET A 933 12.781 2.324 -6.934 1.00 0.00 H new ATOM 0 HB2 MET A 933 12.436 2.592 -3.968 1.00 0.00 H new ATOM 0 HB3 MET A 933 13.691 3.559 -4.717 1.00 0.00 H new ATOM 0 HG2 MET A 933 11.924 4.386 -6.361 1.00 0.00 H new ATOM 0 HG3 MET A 933 10.726 3.583 -5.365 1.00 0.00 H new ATOM 0 HE1 MET A 933 11.803 5.467 -1.876 1.00 0.00 H new ATOM 0 HE2 MET A 933 11.293 3.891 -2.528 1.00 0.00 H new ATOM 0 HE3 MET A 933 12.998 4.389 -2.635 1.00 0.00 H new ATOM 300 N PRO A 934 15.220 1.872 -6.916 1.00 0.00 N ATOM 301 CA PRO A 934 16.640 1.521 -7.013 1.00 0.00 C ATOM 302 C PRO A 934 17.488 2.248 -5.975 1.00 0.00 C ATOM 303 O PRO A 934 17.012 3.157 -5.295 1.00 0.00 O ATOM 304 CB PRO A 934 17.021 1.972 -8.425 1.00 0.00 C ATOM 305 CG PRO A 934 16.048 3.052 -8.753 1.00 0.00 C ATOM 306 CD PRO A 934 14.767 2.680 -8.061 1.00 0.00 C ATOM 0 HA PRO A 934 16.812 0.460 -6.829 1.00 0.00 H new ATOM 0 HB2 PRO A 934 18.047 2.339 -8.460 1.00 0.00 H new ATOM 0 HB3 PRO A 934 16.953 1.148 -9.136 1.00 0.00 H new ATOM 0 HG2 PRO A 934 16.410 4.021 -8.409 1.00 0.00 H new ATOM 0 HG3 PRO A 934 15.901 3.131 -9.830 1.00 0.00 H new ATOM 0 HD2 PRO A 934 14.215 3.562 -7.737 1.00 0.00 H new ATOM 0 HD3 PRO A 934 14.106 2.113 -8.717 1.00 0.00 H new ATOM 314 N PHE A 935 18.748 1.841 -5.857 1.00 0.00 N ATOM 315 CA PHE A 935 19.663 2.453 -4.901 1.00 0.00 C ATOM 316 C PHE A 935 20.003 3.882 -5.313 1.00 0.00 C ATOM 317 O PHE A 935 20.292 4.732 -4.469 1.00 0.00 O ATOM 318 CB PHE A 935 20.945 1.624 -4.788 1.00 0.00 C ATOM 319 CG PHE A 935 20.701 0.142 -4.768 1.00 0.00 C ATOM 320 CD1 PHE A 935 19.913 -0.430 -3.782 1.00 0.00 C ATOM 321 CD2 PHE A 935 21.258 -0.678 -5.735 1.00 0.00 C ATOM 322 CE1 PHE A 935 19.688 -1.794 -3.761 1.00 0.00 C ATOM 323 CE2 PHE A 935 21.036 -2.042 -5.720 1.00 0.00 C ATOM 324 CZ PHE A 935 20.248 -2.601 -4.732 1.00 0.00 C ATOM 0 H PHE A 935 19.158 1.090 -6.412 1.00 0.00 H new ATOM 0 HA PHE A 935 19.170 2.481 -3.929 1.00 0.00 H new ATOM 0 HB2 PHE A 935 21.599 1.865 -5.626 1.00 0.00 H new ATOM 0 HB3 PHE A 935 21.474 1.909 -3.879 1.00 0.00 H new ATOM 0 HD1 PHE A 935 19.470 0.196 -3.022 1.00 0.00 H new ATOM 0 HD2 PHE A 935 21.873 -0.246 -6.510 1.00 0.00 H new ATOM 0 HE1 PHE A 935 19.075 -2.228 -2.986 1.00 0.00 H new ATOM 0 HE2 PHE A 935 21.478 -2.670 -6.479 1.00 0.00 H new ATOM 0 HZ PHE A 935 20.070 -3.666 -4.719 1.00 0.00 H new ATOM 334 N THR A 936 19.968 4.141 -6.616 1.00 0.00 N ATOM 335 CA THR A 936 20.274 5.466 -7.141 1.00 0.00 C ATOM 336 C THR A 936 19.324 6.515 -6.574 1.00 0.00 C ATOM 337 O THR A 936 19.691 7.679 -6.418 1.00 0.00 O ATOM 338 CB THR A 936 20.191 5.494 -8.679 1.00 0.00 C ATOM 339 OG1 THR A 936 18.877 5.120 -9.106 1.00 0.00 O ATOM 340 CG2 THR A 936 21.216 4.551 -9.293 1.00 0.00 C ATOM 0 H THR A 936 19.731 3.450 -7.328 1.00 0.00 H new ATOM 0 HA THR A 936 21.294 5.699 -6.835 1.00 0.00 H new ATOM 0 HB THR A 936 20.406 6.509 -9.014 1.00 0.00 H new ATOM 0 HG1 THR A 936 18.832 5.142 -10.085 1.00 0.00 H new ATOM 0 HG21 THR A 936 21.139 4.587 -10.380 1.00 0.00 H new ATOM 0 HG22 THR A 936 22.218 4.855 -8.990 1.00 0.00 H new ATOM 0 HG23 THR A 936 21.026 3.534 -8.950 1.00 0.00 H new ATOM 348 N VAL A 937 18.101 6.094 -6.265 1.00 0.00 N ATOM 349 CA VAL A 937 17.099 6.997 -5.713 1.00 0.00 C ATOM 350 C VAL A 937 17.679 7.835 -4.579 1.00 0.00 C ATOM 351 O VAL A 937 18.654 7.442 -3.939 1.00 0.00 O ATOM 352 CB VAL A 937 15.874 6.224 -5.190 1.00 0.00 C ATOM 353 CG1 VAL A 937 14.888 7.172 -4.525 1.00 0.00 C ATOM 354 CG2 VAL A 937 15.207 5.455 -6.320 1.00 0.00 C ATOM 0 H VAL A 937 17.781 5.133 -6.388 1.00 0.00 H new ATOM 0 HA VAL A 937 16.786 7.655 -6.524 1.00 0.00 H new ATOM 0 HB VAL A 937 16.212 5.506 -4.442 1.00 0.00 H new ATOM 0 HG11 VAL A 937 14.029 6.608 -4.162 1.00 0.00 H new ATOM 0 HG12 VAL A 937 15.373 7.673 -3.688 1.00 0.00 H new ATOM 0 HG13 VAL A 937 14.554 7.916 -5.248 1.00 0.00 H new ATOM 0 HG21 VAL A 937 14.343 4.915 -5.932 1.00 0.00 H new ATOM 0 HG22 VAL A 937 14.882 6.152 -7.092 1.00 0.00 H new ATOM 0 HG23 VAL A 937 15.917 4.746 -6.746 1.00 0.00 H new ATOM 364 N SER A 938 17.074 8.993 -4.336 1.00 0.00 N ATOM 365 CA SER A 938 17.532 9.889 -3.282 1.00 0.00 C ATOM 366 C SER A 938 16.450 10.902 -2.921 1.00 0.00 C ATOM 367 O SER A 938 15.427 11.003 -3.599 1.00 0.00 O ATOM 368 CB SER A 938 18.803 10.619 -3.720 1.00 0.00 C ATOM 369 OG SER A 938 19.939 9.781 -3.601 1.00 0.00 O ATOM 0 H SER A 938 16.265 9.333 -4.856 1.00 0.00 H new ATOM 0 HA SER A 938 17.752 9.288 -2.400 1.00 0.00 H new ATOM 0 HB2 SER A 938 18.698 10.950 -4.753 1.00 0.00 H new ATOM 0 HB3 SER A 938 18.941 11.513 -3.111 1.00 0.00 H new ATOM 0 HG SER A 938 19.653 8.844 -3.570 1.00 0.00 H new ATOM 375 N ILE A 939 16.683 11.650 -1.847 1.00 0.00 N ATOM 376 CA ILE A 939 15.729 12.656 -1.396 1.00 0.00 C ATOM 377 C ILE A 939 15.440 13.672 -2.496 1.00 0.00 C ATOM 378 O ILE A 939 14.293 14.069 -2.702 1.00 0.00 O ATOM 379 CB ILE A 939 16.242 13.399 -0.148 1.00 0.00 C ATOM 380 CG1 ILE A 939 16.456 12.416 1.005 1.00 0.00 C ATOM 381 CG2 ILE A 939 15.266 14.493 0.255 1.00 0.00 C ATOM 382 CD1 ILE A 939 17.384 12.939 2.080 1.00 0.00 C ATOM 0 H ILE A 939 17.524 11.578 -1.274 1.00 0.00 H new ATOM 0 HA ILE A 939 14.810 12.128 -1.142 1.00 0.00 H new ATOM 0 HB ILE A 939 17.199 13.863 -0.387 1.00 0.00 H new ATOM 0 HG12 ILE A 939 15.491 12.178 1.453 1.00 0.00 H new ATOM 0 HG13 ILE A 939 16.861 11.485 0.608 1.00 0.00 H new ATOM 0 HG21 ILE A 939 15.642 15.009 1.138 1.00 0.00 H new ATOM 0 HG22 ILE A 939 15.159 15.205 -0.563 1.00 0.00 H new ATOM 0 HG23 ILE A 939 14.296 14.050 0.479 1.00 0.00 H new ATOM 0 HD11 ILE A 939 17.490 12.190 2.865 1.00 0.00 H new ATOM 0 HD12 ILE A 939 18.361 13.150 1.646 1.00 0.00 H new ATOM 0 HD13 ILE A 939 16.970 13.854 2.504 1.00 0.00 H new ATOM 394 N ASP A 940 16.486 14.087 -3.201 1.00 0.00 N ATOM 395 CA ASP A 940 16.345 15.054 -4.282 1.00 0.00 C ATOM 396 C ASP A 940 15.473 14.495 -5.402 1.00 0.00 C ATOM 397 O ASP A 940 14.584 15.178 -5.909 1.00 0.00 O ATOM 398 CB ASP A 940 17.719 15.439 -4.833 1.00 0.00 C ATOM 399 CG ASP A 940 18.352 16.582 -4.064 1.00 0.00 C ATOM 400 OD1 ASP A 940 17.607 17.472 -3.602 1.00 0.00 O ATOM 401 OD2 ASP A 940 19.592 16.586 -3.923 1.00 0.00 O ATOM 0 H ASP A 940 17.442 13.768 -3.043 1.00 0.00 H new ATOM 0 HA ASP A 940 15.861 15.944 -3.879 1.00 0.00 H new ATOM 0 HB2 ASP A 940 18.378 14.571 -4.796 1.00 0.00 H new ATOM 0 HB3 ASP A 940 17.621 15.721 -5.881 1.00 0.00 H new ATOM 406 N GLU A 941 15.734 13.248 -5.781 1.00 0.00 N ATOM 407 CA GLU A 941 14.973 12.598 -6.842 1.00 0.00 C ATOM 408 C GLU A 941 13.516 12.409 -6.429 1.00 0.00 C ATOM 409 O GLU A 941 12.604 12.578 -7.239 1.00 0.00 O ATOM 410 CB GLU A 941 15.596 11.244 -7.190 1.00 0.00 C ATOM 411 CG GLU A 941 16.825 11.350 -8.077 1.00 0.00 C ATOM 412 CD GLU A 941 16.475 11.536 -9.540 1.00 0.00 C ATOM 413 OE1 GLU A 941 15.789 12.527 -9.865 1.00 0.00 O ATOM 414 OE2 GLU A 941 16.889 10.691 -10.361 1.00 0.00 O ATOM 0 H GLU A 941 16.466 12.668 -5.370 1.00 0.00 H new ATOM 0 HA GLU A 941 15.003 13.241 -7.722 1.00 0.00 H new ATOM 0 HB2 GLU A 941 15.867 10.730 -6.268 1.00 0.00 H new ATOM 0 HB3 GLU A 941 14.849 10.628 -7.690 1.00 0.00 H new ATOM 0 HG2 GLU A 941 17.437 12.188 -7.744 1.00 0.00 H new ATOM 0 HG3 GLU A 941 17.429 10.450 -7.964 1.00 0.00 H new ATOM 421 N ILE A 942 13.306 12.057 -5.165 1.00 0.00 N ATOM 422 CA ILE A 942 11.961 11.845 -4.645 1.00 0.00 C ATOM 423 C ILE A 942 11.165 13.146 -4.636 1.00 0.00 C ATOM 424 O ILE A 942 10.031 13.196 -5.115 1.00 0.00 O ATOM 425 CB ILE A 942 11.994 11.266 -3.218 1.00 0.00 C ATOM 426 CG1 ILE A 942 12.596 9.860 -3.229 1.00 0.00 C ATOM 427 CG2 ILE A 942 10.594 11.246 -2.623 1.00 0.00 C ATOM 428 CD1 ILE A 942 13.207 9.454 -1.906 1.00 0.00 C ATOM 0 H ILE A 942 14.050 11.913 -4.482 1.00 0.00 H new ATOM 0 HA ILE A 942 11.475 11.129 -5.307 1.00 0.00 H new ATOM 0 HB ILE A 942 12.622 11.904 -2.596 1.00 0.00 H new ATOM 0 HG12 ILE A 942 11.820 9.143 -3.497 1.00 0.00 H new ATOM 0 HG13 ILE A 942 13.360 9.807 -4.004 1.00 0.00 H new ATOM 0 HG21 ILE A 942 10.633 10.834 -1.614 1.00 0.00 H new ATOM 0 HG22 ILE A 942 10.200 12.262 -2.585 1.00 0.00 H new ATOM 0 HG23 ILE A 942 9.944 10.628 -3.242 1.00 0.00 H new ATOM 0 HD11 ILE A 942 13.614 8.446 -1.987 1.00 0.00 H new ATOM 0 HD12 ILE A 942 14.006 10.148 -1.646 1.00 0.00 H new ATOM 0 HD13 ILE A 942 12.442 9.474 -1.130 1.00 0.00 H new ATOM 440 N LEU A 943 11.765 14.197 -4.089 1.00 0.00 N ATOM 441 CA LEU A 943 11.113 15.500 -4.018 1.00 0.00 C ATOM 442 C LEU A 943 10.729 15.992 -5.410 1.00 0.00 C ATOM 443 O LEU A 943 9.643 16.537 -5.609 1.00 0.00 O ATOM 444 CB LEU A 943 12.033 16.517 -3.341 1.00 0.00 C ATOM 445 CG LEU A 943 11.948 16.587 -1.816 1.00 0.00 C ATOM 446 CD1 LEU A 943 12.934 17.610 -1.273 1.00 0.00 C ATOM 447 CD2 LEU A 943 10.531 16.924 -1.376 1.00 0.00 C ATOM 0 H LEU A 943 12.702 14.173 -3.688 1.00 0.00 H new ATOM 0 HA LEU A 943 10.204 15.392 -3.426 1.00 0.00 H new ATOM 0 HB2 LEU A 943 13.062 16.287 -3.617 1.00 0.00 H new ATOM 0 HB3 LEU A 943 11.808 17.505 -3.743 1.00 0.00 H new ATOM 0 HG LEU A 943 12.210 15.609 -1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 943 12.859 17.646 -0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 943 13.947 17.326 -1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 943 12.703 18.592 -1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 943 10.489 16.970 -0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 943 10.241 17.889 -1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 943 9.846 16.155 -1.733 1.00 0.00 H new ATOM 459 N ASP A 944 11.625 15.794 -6.370 1.00 0.00 N ATOM 460 CA ASP A 944 11.379 16.215 -7.744 1.00 0.00 C ATOM 461 C ASP A 944 10.337 15.321 -8.408 1.00 0.00 C ATOM 462 O ASP A 944 9.582 15.766 -9.273 1.00 0.00 O ATOM 463 CB ASP A 944 12.680 16.188 -8.549 1.00 0.00 C ATOM 464 CG ASP A 944 12.662 17.162 -9.711 1.00 0.00 C ATOM 465 OD1 ASP A 944 11.596 17.311 -10.343 1.00 0.00 O ATOM 466 OD2 ASP A 944 13.715 17.774 -9.988 1.00 0.00 O ATOM 0 H ASP A 944 12.529 15.344 -6.222 1.00 0.00 H new ATOM 0 HA ASP A 944 10.995 17.235 -7.722 1.00 0.00 H new ATOM 0 HB2 ASP A 944 13.516 16.427 -7.891 1.00 0.00 H new ATOM 0 HB3 ASP A 944 12.849 15.180 -8.926 1.00 0.00 H new ATOM 471 N PHE A 945 10.301 14.057 -7.998 1.00 0.00 N ATOM 472 CA PHE A 945 9.353 13.099 -8.555 1.00 0.00 C ATOM 473 C PHE A 945 7.919 13.491 -8.210 1.00 0.00 C ATOM 474 O PHE A 945 7.008 13.331 -9.023 1.00 0.00 O ATOM 475 CB PHE A 945 9.649 11.693 -8.030 1.00 0.00 C ATOM 476 CG PHE A 945 8.657 10.662 -8.487 1.00 0.00 C ATOM 477 CD1 PHE A 945 7.431 10.533 -7.854 1.00 0.00 C ATOM 478 CD2 PHE A 945 8.950 9.822 -9.549 1.00 0.00 C ATOM 479 CE1 PHE A 945 6.517 9.584 -8.272 1.00 0.00 C ATOM 480 CE2 PHE A 945 8.040 8.871 -9.971 1.00 0.00 C ATOM 481 CZ PHE A 945 6.821 8.753 -9.333 1.00 0.00 C ATOM 0 H PHE A 945 10.917 13.673 -7.282 1.00 0.00 H new ATOM 0 HA PHE A 945 9.463 13.105 -9.639 1.00 0.00 H new ATOM 0 HB2 PHE A 945 10.646 11.395 -8.354 1.00 0.00 H new ATOM 0 HB3 PHE A 945 9.662 11.716 -6.940 1.00 0.00 H new ATOM 0 HD1 PHE A 945 7.187 11.181 -7.025 1.00 0.00 H new ATOM 0 HD2 PHE A 945 9.901 9.911 -10.053 1.00 0.00 H new ATOM 0 HE1 PHE A 945 5.566 9.492 -7.769 1.00 0.00 H new ATOM 0 HE2 PHE A 945 8.282 8.221 -10.799 1.00 0.00 H new ATOM 0 HZ PHE A 945 6.107 8.013 -9.663 1.00 0.00 H new ATOM 491 N PHE A 946 7.727 14.005 -7.000 1.00 0.00 N ATOM 492 CA PHE A 946 6.404 14.419 -6.546 1.00 0.00 C ATOM 493 C PHE A 946 6.152 15.887 -6.873 1.00 0.00 C ATOM 494 O PHE A 946 5.222 16.501 -6.348 1.00 0.00 O ATOM 495 CB PHE A 946 6.263 14.188 -5.040 1.00 0.00 C ATOM 496 CG PHE A 946 5.947 12.765 -4.678 1.00 0.00 C ATOM 497 CD1 PHE A 946 6.964 11.855 -4.441 1.00 0.00 C ATOM 498 CD2 PHE A 946 4.633 12.338 -4.575 1.00 0.00 C ATOM 499 CE1 PHE A 946 6.676 10.544 -4.109 1.00 0.00 C ATOM 500 CE2 PHE A 946 4.339 11.029 -4.242 1.00 0.00 C ATOM 501 CZ PHE A 946 5.362 10.132 -4.008 1.00 0.00 C ATOM 0 H PHE A 946 8.470 14.145 -6.316 1.00 0.00 H new ATOM 0 HA PHE A 946 5.662 13.816 -7.070 1.00 0.00 H new ATOM 0 HB2 PHE A 946 7.190 14.483 -4.547 1.00 0.00 H new ATOM 0 HB3 PHE A 946 5.476 14.836 -4.653 1.00 0.00 H new ATOM 0 HD1 PHE A 946 7.993 12.173 -4.516 1.00 0.00 H new ATOM 0 HD2 PHE A 946 3.829 13.036 -4.757 1.00 0.00 H new ATOM 0 HE1 PHE A 946 7.478 9.843 -3.929 1.00 0.00 H new ATOM 0 HE2 PHE A 946 3.311 10.708 -4.165 1.00 0.00 H new ATOM 0 HZ PHE A 946 5.135 9.109 -3.746 1.00 0.00 H new ATOM 511 N TYR A 947 6.986 16.445 -7.743 1.00 0.00 N ATOM 512 CA TYR A 947 6.856 17.843 -8.139 1.00 0.00 C ATOM 513 C TYR A 947 5.420 18.163 -8.544 1.00 0.00 C ATOM 514 O TYR A 947 4.705 17.309 -9.065 1.00 0.00 O ATOM 515 CB TYR A 947 7.806 18.157 -9.296 1.00 0.00 C ATOM 516 CG TYR A 947 7.882 19.629 -9.633 1.00 0.00 C ATOM 517 CD1 TYR A 947 8.312 20.557 -8.692 1.00 0.00 C ATOM 518 CD2 TYR A 947 7.524 20.093 -10.893 1.00 0.00 C ATOM 519 CE1 TYR A 947 8.383 21.903 -8.995 1.00 0.00 C ATOM 520 CE2 TYR A 947 7.593 21.437 -11.205 1.00 0.00 C ATOM 521 CZ TYR A 947 8.023 22.338 -10.253 1.00 0.00 C ATOM 522 OH TYR A 947 8.091 23.677 -10.560 1.00 0.00 O ATOM 0 H TYR A 947 7.760 15.951 -8.188 1.00 0.00 H new ATOM 0 HA TYR A 947 7.120 18.463 -7.282 1.00 0.00 H new ATOM 0 HB2 TYR A 947 8.804 17.798 -9.044 1.00 0.00 H new ATOM 0 HB3 TYR A 947 7.484 17.606 -10.180 1.00 0.00 H new ATOM 0 HD1 TYR A 947 8.596 20.220 -7.706 1.00 0.00 H new ATOM 0 HD2 TYR A 947 7.186 19.391 -11.641 1.00 0.00 H new ATOM 0 HE1 TYR A 947 8.718 22.610 -8.251 1.00 0.00 H new ATOM 0 HE2 TYR A 947 7.312 21.781 -12.189 1.00 0.00 H new ATOM 0 HH TYR A 947 7.804 23.815 -11.487 1.00 0.00 H new ATOM 532 N GLY A 948 5.006 19.403 -8.299 1.00 0.00 N ATOM 533 CA GLY A 948 3.658 19.816 -8.644 1.00 0.00 C ATOM 534 C GLY A 948 2.701 19.707 -7.474 1.00 0.00 C ATOM 535 O GLY A 948 1.843 20.569 -7.281 1.00 0.00 O ATOM 0 H GLY A 948 5.580 20.128 -7.868 1.00 0.00 H new ATOM 0 HA2 GLY A 948 3.677 20.846 -8.999 1.00 0.00 H new ATOM 0 HA3 GLY A 948 3.292 19.202 -9.467 1.00 0.00 H new ATOM 539 N TYR A 949 2.845 18.643 -6.690 1.00 0.00 N ATOM 540 CA TYR A 949 1.984 18.422 -5.535 1.00 0.00 C ATOM 541 C TYR A 949 2.624 18.972 -4.264 1.00 0.00 C ATOM 542 O TYR A 949 3.848 19.016 -4.143 1.00 0.00 O ATOM 543 CB TYR A 949 1.692 16.930 -5.369 1.00 0.00 C ATOM 544 CG TYR A 949 1.126 16.281 -6.612 1.00 0.00 C ATOM 545 CD1 TYR A 949 -0.233 16.338 -6.891 1.00 0.00 C ATOM 546 CD2 TYR A 949 1.951 15.610 -7.505 1.00 0.00 C ATOM 547 CE1 TYR A 949 -0.755 15.746 -8.025 1.00 0.00 C ATOM 548 CE2 TYR A 949 1.439 15.016 -8.643 1.00 0.00 C ATOM 549 CZ TYR A 949 0.085 15.087 -8.898 1.00 0.00 C ATOM 550 OH TYR A 949 -0.429 14.495 -10.029 1.00 0.00 O ATOM 0 H TYR A 949 3.550 17.920 -6.834 1.00 0.00 H new ATOM 0 HA TYR A 949 1.047 18.952 -5.706 1.00 0.00 H new ATOM 0 HB2 TYR A 949 2.612 16.417 -5.089 1.00 0.00 H new ATOM 0 HB3 TYR A 949 0.989 16.795 -4.547 1.00 0.00 H new ATOM 0 HD1 TYR A 949 -0.893 16.854 -6.210 1.00 0.00 H new ATOM 0 HD2 TYR A 949 3.011 15.551 -7.307 1.00 0.00 H new ATOM 0 HE1 TYR A 949 -1.815 15.799 -8.227 1.00 0.00 H new ATOM 0 HE2 TYR A 949 2.095 14.499 -9.328 1.00 0.00 H new ATOM 0 HH TYR A 949 0.296 14.074 -10.536 1.00 0.00 H new ATOM 560 N GLN A 950 1.787 19.389 -3.320 1.00 0.00 N ATOM 561 CA GLN A 950 2.271 19.935 -2.058 1.00 0.00 C ATOM 562 C GLN A 950 2.626 18.819 -1.081 1.00 0.00 C ATOM 563 O GLN A 950 1.783 18.368 -0.305 1.00 0.00 O ATOM 564 CB GLN A 950 1.217 20.855 -1.439 1.00 0.00 C ATOM 565 CG GLN A 950 1.087 22.194 -2.146 1.00 0.00 C ATOM 566 CD GLN A 950 2.198 23.159 -1.777 1.00 0.00 C ATOM 567 OE1 GLN A 950 3.034 23.508 -2.611 1.00 0.00 O ATOM 568 NE2 GLN A 950 2.211 23.595 -0.523 1.00 0.00 N ATOM 0 H GLN A 950 0.771 19.359 -3.405 1.00 0.00 H new ATOM 0 HA GLN A 950 3.172 20.512 -2.263 1.00 0.00 H new ATOM 0 HB2 GLN A 950 0.251 20.350 -1.455 1.00 0.00 H new ATOM 0 HB3 GLN A 950 1.468 21.029 -0.393 1.00 0.00 H new ATOM 0 HG2 GLN A 950 1.093 22.034 -3.224 1.00 0.00 H new ATOM 0 HG3 GLN A 950 0.125 22.641 -1.896 1.00 0.00 H new ATOM 0 HE21 GLN A 950 1.498 23.279 0.134 1.00 0.00 H new ATOM 0 HE22 GLN A 950 2.934 24.246 -0.217 1.00 0.00 H new ATOM 577 N VAL A 951 3.878 18.376 -1.126 1.00 0.00 N ATOM 578 CA VAL A 951 4.345 17.312 -0.245 1.00 0.00 C ATOM 579 C VAL A 951 4.737 17.863 1.122 1.00 0.00 C ATOM 580 O VAL A 951 5.540 18.792 1.220 1.00 0.00 O ATOM 581 CB VAL A 951 5.550 16.569 -0.851 1.00 0.00 C ATOM 582 CG1 VAL A 951 6.109 15.560 0.140 1.00 0.00 C ATOM 583 CG2 VAL A 951 5.154 15.887 -2.152 1.00 0.00 C ATOM 0 H VAL A 951 4.588 18.737 -1.763 1.00 0.00 H new ATOM 0 HA VAL A 951 3.518 16.612 -0.128 1.00 0.00 H new ATOM 0 HB VAL A 951 6.331 17.297 -1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 951 6.960 15.045 -0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 951 6.431 16.078 1.044 1.00 0.00 H new ATOM 0 HG13 VAL A 951 5.337 14.833 0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 951 6.017 15.366 -2.567 1.00 0.00 H new ATOM 0 HG22 VAL A 951 4.356 15.170 -1.959 1.00 0.00 H new ATOM 0 HG23 VAL A 951 4.805 16.635 -2.863 1.00 0.00 H new ATOM 593 N ILE A 952 4.167 17.285 2.173 1.00 0.00 N ATOM 594 CA ILE A 952 4.458 17.717 3.534 1.00 0.00 C ATOM 595 C ILE A 952 5.954 17.651 3.823 1.00 0.00 C ATOM 596 O ILE A 952 6.614 16.639 3.584 1.00 0.00 O ATOM 597 CB ILE A 952 3.708 16.860 4.570 1.00 0.00 C ATOM 598 CG1 ILE A 952 2.208 17.153 4.517 1.00 0.00 C ATOM 599 CG2 ILE A 952 4.255 17.117 5.966 1.00 0.00 C ATOM 600 CD1 ILE A 952 1.366 16.131 5.248 1.00 0.00 C ATOM 0 H ILE A 952 3.500 16.516 2.108 1.00 0.00 H new ATOM 0 HA ILE A 952 4.119 18.750 3.616 1.00 0.00 H new ATOM 0 HB ILE A 952 3.862 15.808 4.329 1.00 0.00 H new ATOM 0 HG12 ILE A 952 2.023 18.138 4.946 1.00 0.00 H new ATOM 0 HG13 ILE A 952 1.891 17.195 3.475 1.00 0.00 H new ATOM 0 HG21 ILE A 952 3.715 16.504 6.687 1.00 0.00 H new ATOM 0 HG22 ILE A 952 5.314 16.862 5.994 1.00 0.00 H new ATOM 0 HG23 ILE A 952 4.129 18.170 6.218 1.00 0.00 H new ATOM 0 HD11 ILE A 952 0.313 16.403 5.168 1.00 0.00 H new ATOM 0 HD12 ILE A 952 1.521 15.147 4.805 1.00 0.00 H new ATOM 0 HD13 ILE A 952 1.656 16.105 6.299 1.00 0.00 H new ATOM 612 N PRO A 953 6.504 18.754 4.352 1.00 0.00 N ATOM 613 CA PRO A 953 7.928 18.846 4.688 1.00 0.00 C ATOM 614 C PRO A 953 8.300 17.971 5.880 1.00 0.00 C ATOM 615 O PRO A 953 7.709 18.082 6.953 1.00 0.00 O ATOM 616 CB PRO A 953 8.117 20.326 5.031 1.00 0.00 C ATOM 617 CG PRO A 953 6.770 20.787 5.470 1.00 0.00 C ATOM 618 CD PRO A 953 5.778 19.997 4.663 1.00 0.00 C ATOM 0 HA PRO A 953 8.562 18.499 3.872 1.00 0.00 H new ATOM 0 HB2 PRO A 953 8.857 20.458 5.820 1.00 0.00 H new ATOM 0 HB3 PRO A 953 8.467 20.891 4.167 1.00 0.00 H new ATOM 0 HG2 PRO A 953 6.628 20.617 6.537 1.00 0.00 H new ATOM 0 HG3 PRO A 953 6.649 21.857 5.299 1.00 0.00 H new ATOM 0 HD2 PRO A 953 4.867 19.800 5.228 1.00 0.00 H new ATOM 0 HD3 PRO A 953 5.483 20.527 3.758 1.00 0.00 H new ATOM 626 N GLY A 954 9.285 17.099 5.684 1.00 0.00 N ATOM 627 CA GLY A 954 9.719 16.218 6.752 1.00 0.00 C ATOM 628 C GLY A 954 8.998 14.884 6.732 1.00 0.00 C ATOM 629 O GLY A 954 9.338 13.976 7.491 1.00 0.00 O ATOM 0 H GLY A 954 9.790 16.987 4.805 1.00 0.00 H new ATOM 0 HA2 GLY A 954 10.792 16.049 6.666 1.00 0.00 H new ATOM 0 HA3 GLY A 954 9.549 16.705 7.712 1.00 0.00 H new ATOM 633 N SER A 955 8.000 14.766 5.863 1.00 0.00 N ATOM 634 CA SER A 955 7.225 13.535 5.751 1.00 0.00 C ATOM 635 C SER A 955 8.063 12.422 5.129 1.00 0.00 C ATOM 636 O SER A 955 8.153 11.320 5.672 1.00 0.00 O ATOM 637 CB SER A 955 5.969 13.773 4.912 1.00 0.00 C ATOM 638 OG SER A 955 6.222 13.543 3.537 1.00 0.00 O ATOM 0 H SER A 955 7.708 15.507 5.226 1.00 0.00 H new ATOM 0 HA SER A 955 6.930 13.227 6.754 1.00 0.00 H new ATOM 0 HB2 SER A 955 5.170 13.114 5.253 1.00 0.00 H new ATOM 0 HB3 SER A 955 5.621 14.796 5.055 1.00 0.00 H new ATOM 0 HG SER A 955 6.422 14.394 3.094 1.00 0.00 H new ATOM 644 N VAL A 956 8.674 12.717 3.987 1.00 0.00 N ATOM 645 CA VAL A 956 9.505 11.742 3.290 1.00 0.00 C ATOM 646 C VAL A 956 10.365 10.953 4.271 1.00 0.00 C ATOM 647 O VAL A 956 11.312 11.486 4.850 1.00 0.00 O ATOM 648 CB VAL A 956 10.420 12.423 2.254 1.00 0.00 C ATOM 649 CG1 VAL A 956 11.388 11.415 1.653 1.00 0.00 C ATOM 650 CG2 VAL A 956 9.590 13.091 1.169 1.00 0.00 C ATOM 0 H VAL A 956 8.610 13.624 3.524 1.00 0.00 H new ATOM 0 HA VAL A 956 8.829 11.060 2.774 1.00 0.00 H new ATOM 0 HB VAL A 956 11.003 13.193 2.759 1.00 0.00 H new ATOM 0 HG11 VAL A 956 12.026 11.914 0.924 1.00 0.00 H new ATOM 0 HG12 VAL A 956 12.005 10.988 2.443 1.00 0.00 H new ATOM 0 HG13 VAL A 956 10.827 10.620 1.161 1.00 0.00 H new ATOM 0 HG21 VAL A 956 10.252 13.567 0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 956 8.980 12.342 0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 956 8.942 13.844 1.618 1.00 0.00 H new ATOM 660 N CYS A 957 10.030 9.680 4.451 1.00 0.00 N ATOM 661 CA CYS A 957 10.771 8.816 5.363 1.00 0.00 C ATOM 662 C CYS A 957 11.361 7.622 4.620 1.00 0.00 C ATOM 663 O CYS A 957 10.632 6.815 4.041 1.00 0.00 O ATOM 664 CB CYS A 957 9.862 8.331 6.492 1.00 0.00 C ATOM 665 SG CYS A 957 10.726 7.996 8.044 1.00 0.00 S ATOM 0 H CYS A 957 9.250 9.224 3.978 1.00 0.00 H new ATOM 0 HA CYS A 957 11.589 9.396 5.790 1.00 0.00 H new ATOM 0 HB2 CYS A 957 9.092 9.082 6.672 1.00 0.00 H new ATOM 0 HB3 CYS A 957 9.353 7.423 6.169 1.00 0.00 H new ATOM 0 HG CYS A 957 9.872 7.593 8.938 1.00 0.00 H new ATOM 671 N LEU A 958 12.685 7.515 4.639 1.00 0.00 N ATOM 672 CA LEU A 958 13.375 6.420 3.966 1.00 0.00 C ATOM 673 C LEU A 958 13.464 5.195 4.870 1.00 0.00 C ATOM 674 O LEU A 958 13.581 5.318 6.090 1.00 0.00 O ATOM 675 CB LEU A 958 14.777 6.858 3.541 1.00 0.00 C ATOM 676 CG LEU A 958 14.845 7.906 2.430 1.00 0.00 C ATOM 677 CD1 LEU A 958 16.272 8.402 2.251 1.00 0.00 C ATOM 678 CD2 LEU A 958 14.310 7.335 1.125 1.00 0.00 C ATOM 0 H LEU A 958 13.303 8.174 5.113 1.00 0.00 H new ATOM 0 HA LEU A 958 12.801 6.153 3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 958 15.294 7.252 4.416 1.00 0.00 H new ATOM 0 HB3 LEU A 958 15.328 5.976 3.215 1.00 0.00 H new ATOM 0 HG LEU A 958 14.221 8.752 2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 958 16.301 9.147 1.456 1.00 0.00 H new ATOM 0 HD12 LEU A 958 16.621 8.850 3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 958 16.918 7.565 1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 958 14.366 8.095 0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 958 14.908 6.471 0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 958 13.272 7.029 1.260 1.00 0.00 H new ATOM 690 N LYS A 959 13.410 4.014 4.265 1.00 0.00 N ATOM 691 CA LYS A 959 13.489 2.765 5.014 1.00 0.00 C ATOM 692 C LYS A 959 14.910 2.211 5.000 1.00 0.00 C ATOM 693 O LYS A 959 15.584 2.231 3.970 1.00 0.00 O ATOM 694 CB LYS A 959 12.522 1.734 4.429 1.00 0.00 C ATOM 695 CG LYS A 959 12.409 0.467 5.259 1.00 0.00 C ATOM 696 CD LYS A 959 11.916 0.763 6.665 1.00 0.00 C ATOM 697 CE LYS A 959 11.662 -0.516 7.448 1.00 0.00 C ATOM 698 NZ LYS A 959 10.320 -1.090 7.151 1.00 0.00 N ATOM 0 H LYS A 959 13.312 3.895 3.257 1.00 0.00 H new ATOM 0 HA LYS A 959 13.209 2.971 6.047 1.00 0.00 H new ATOM 0 HB2 LYS A 959 11.535 2.186 4.335 1.00 0.00 H new ATOM 0 HB3 LYS A 959 12.849 1.471 3.423 1.00 0.00 H new ATOM 0 HG2 LYS A 959 11.725 -0.228 4.772 1.00 0.00 H new ATOM 0 HG3 LYS A 959 13.381 -0.024 5.309 1.00 0.00 H new ATOM 0 HD2 LYS A 959 12.653 1.371 7.189 1.00 0.00 H new ATOM 0 HD3 LYS A 959 10.998 1.348 6.614 1.00 0.00 H new ATOM 0 HE2 LYS A 959 12.432 -1.249 7.207 1.00 0.00 H new ATOM 0 HE3 LYS A 959 11.741 -0.310 8.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 959 10.185 -1.960 7.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 959 9.584 -0.401 7.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 959 10.253 -1.310 6.137 1.00 0.00 H new ATOM 712 N TYR A 960 15.358 1.715 6.148 1.00 0.00 N ATOM 713 CA TYR A 960 16.699 1.155 6.267 1.00 0.00 C ATOM 714 C TYR A 960 16.679 -0.141 7.071 1.00 0.00 C ATOM 715 O TYR A 960 15.708 -0.438 7.767 1.00 0.00 O ATOM 716 CB TYR A 960 17.638 2.165 6.930 1.00 0.00 C ATOM 717 CG TYR A 960 18.057 3.293 6.015 1.00 0.00 C ATOM 718 CD1 TYR A 960 17.256 4.417 5.854 1.00 0.00 C ATOM 719 CD2 TYR A 960 19.254 3.236 5.311 1.00 0.00 C ATOM 720 CE1 TYR A 960 17.634 5.450 5.019 1.00 0.00 C ATOM 721 CE2 TYR A 960 19.641 4.265 4.475 1.00 0.00 C ATOM 722 CZ TYR A 960 18.827 5.370 4.331 1.00 0.00 C ATOM 723 OH TYR A 960 19.208 6.397 3.499 1.00 0.00 O ATOM 0 H TYR A 960 14.812 1.689 7.009 1.00 0.00 H new ATOM 0 HA TYR A 960 17.063 0.933 5.264 1.00 0.00 H new ATOM 0 HB2 TYR A 960 17.146 2.584 7.808 1.00 0.00 H new ATOM 0 HB3 TYR A 960 18.528 1.644 7.282 1.00 0.00 H new ATOM 0 HD1 TYR A 960 16.322 4.484 6.391 1.00 0.00 H new ATOM 0 HD2 TYR A 960 19.893 2.372 5.420 1.00 0.00 H new ATOM 0 HE1 TYR A 960 16.999 6.316 4.905 1.00 0.00 H new ATOM 0 HE2 TYR A 960 20.576 4.205 3.937 1.00 0.00 H new ATOM 0 HH TYR A 960 20.073 6.184 3.092 1.00 0.00 H new ATOM 733 N ASN A 961 17.759 -0.909 6.970 1.00 0.00 N ATOM 734 CA ASN A 961 17.867 -2.174 7.688 1.00 0.00 C ATOM 735 C ASN A 961 18.872 -2.068 8.831 1.00 0.00 C ATOM 736 O ASN A 961 19.570 -1.063 8.963 1.00 0.00 O ATOM 737 CB ASN A 961 18.283 -3.293 6.731 1.00 0.00 C ATOM 738 CG ASN A 961 19.759 -3.242 6.388 1.00 0.00 C ATOM 739 OD1 ASN A 961 20.430 -2.239 6.633 1.00 0.00 O ATOM 740 ND2 ASN A 961 20.273 -4.326 5.819 1.00 0.00 N ATOM 0 H ASN A 961 18.571 -0.678 6.398 1.00 0.00 H new ATOM 0 HA ASN A 961 16.889 -2.408 8.109 1.00 0.00 H new ATOM 0 HB2 ASN A 961 18.051 -4.258 7.182 1.00 0.00 H new ATOM 0 HB3 ASN A 961 17.697 -3.220 5.815 1.00 0.00 H new ATOM 0 HD21 ASN A 961 21.261 -4.350 5.567 1.00 0.00 H new ATOM 0 HD22 ASN A 961 19.680 -5.135 5.634 1.00 0.00 H new ATOM 747 N GLU A 962 18.938 -3.111 9.652 1.00 0.00 N ATOM 748 CA GLU A 962 19.858 -3.133 10.784 1.00 0.00 C ATOM 749 C GLU A 962 21.258 -2.705 10.355 1.00 0.00 C ATOM 750 O GLU A 962 21.986 -2.068 11.117 1.00 0.00 O ATOM 751 CB GLU A 962 19.906 -4.532 11.402 1.00 0.00 C ATOM 752 CG GLU A 962 20.559 -5.571 10.505 1.00 0.00 C ATOM 753 CD GLU A 962 19.658 -6.007 9.366 1.00 0.00 C ATOM 754 OE1 GLU A 962 18.589 -6.590 9.645 1.00 0.00 O ATOM 755 OE2 GLU A 962 20.021 -5.765 8.196 1.00 0.00 O ATOM 0 H GLU A 962 18.367 -3.951 9.555 1.00 0.00 H new ATOM 0 HA GLU A 962 19.494 -2.426 11.530 1.00 0.00 H new ATOM 0 HB2 GLU A 962 20.450 -4.485 12.345 1.00 0.00 H new ATOM 0 HB3 GLU A 962 18.891 -4.852 11.635 1.00 0.00 H new ATOM 0 HG2 GLU A 962 21.484 -5.163 10.096 1.00 0.00 H new ATOM 0 HG3 GLU A 962 20.831 -6.442 11.102 1.00 0.00 H new ATOM 762 N LYS A 963 21.630 -3.061 9.130 1.00 0.00 N ATOM 763 CA LYS A 963 22.943 -2.714 8.598 1.00 0.00 C ATOM 764 C LYS A 963 23.052 -1.213 8.354 1.00 0.00 C ATOM 765 O LYS A 963 24.129 -0.631 8.476 1.00 0.00 O ATOM 766 CB LYS A 963 23.204 -3.474 7.295 1.00 0.00 C ATOM 767 CG LYS A 963 23.178 -4.984 7.455 1.00 0.00 C ATOM 768 CD LYS A 963 24.062 -5.669 6.427 1.00 0.00 C ATOM 769 CE LYS A 963 24.057 -7.179 6.605 1.00 0.00 C ATOM 770 NZ LYS A 963 22.771 -7.786 6.161 1.00 0.00 N ATOM 0 H LYS A 963 21.041 -3.590 8.487 1.00 0.00 H new ATOM 0 HA LYS A 963 23.694 -2.999 9.335 1.00 0.00 H new ATOM 0 HB2 LYS A 963 22.456 -3.182 6.558 1.00 0.00 H new ATOM 0 HB3 LYS A 963 24.175 -3.176 6.899 1.00 0.00 H new ATOM 0 HG2 LYS A 963 23.511 -5.250 8.458 1.00 0.00 H new ATOM 0 HG3 LYS A 963 22.154 -5.344 7.353 1.00 0.00 H new ATOM 0 HD2 LYS A 963 23.716 -5.419 5.424 1.00 0.00 H new ATOM 0 HD3 LYS A 963 25.082 -5.295 6.515 1.00 0.00 H new ATOM 0 HE2 LYS A 963 24.879 -7.614 6.037 1.00 0.00 H new ATOM 0 HE3 LYS A 963 24.230 -7.422 7.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 963 22.820 -8.819 6.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 963 21.993 -7.415 6.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 963 22.601 -7.548 5.163 1.00 0.00 H new ATOM 784 N GLY A 964 21.929 -0.590 8.011 1.00 0.00 N ATOM 785 CA GLY A 964 21.920 0.839 7.757 1.00 0.00 C ATOM 786 C GLY A 964 21.866 1.165 6.278 1.00 0.00 C ATOM 787 O GLY A 964 22.157 2.290 5.873 1.00 0.00 O ATOM 0 H GLY A 964 21.025 -1.050 7.904 1.00 0.00 H new ATOM 0 HA2 GLY A 964 21.062 1.288 8.256 1.00 0.00 H new ATOM 0 HA3 GLY A 964 22.813 1.288 8.192 1.00 0.00 H new ATOM 791 N MET A 965 21.495 0.178 5.469 1.00 0.00 N ATOM 792 CA MET A 965 21.405 0.366 4.026 1.00 0.00 C ATOM 793 C MET A 965 19.956 0.559 3.592 1.00 0.00 C ATOM 794 O MET A 965 19.019 0.114 4.256 1.00 0.00 O ATOM 795 CB MET A 965 22.013 -0.833 3.295 1.00 0.00 C ATOM 796 CG MET A 965 23.532 -0.853 3.319 1.00 0.00 C ATOM 797 SD MET A 965 24.261 0.087 1.964 1.00 0.00 S ATOM 798 CE MET A 965 25.801 -0.798 1.728 1.00 0.00 C ATOM 0 H MET A 965 21.252 -0.760 5.788 1.00 0.00 H new ATOM 0 HA MET A 965 21.966 1.264 3.766 1.00 0.00 H new ATOM 0 HB2 MET A 965 21.639 -1.752 3.747 1.00 0.00 H new ATOM 0 HB3 MET A 965 21.674 -0.826 2.259 1.00 0.00 H new ATOM 0 HG2 MET A 965 23.882 -0.446 4.268 1.00 0.00 H new ATOM 0 HG3 MET A 965 23.879 -1.885 3.268 1.00 0.00 H new ATOM 0 HE1 MET A 965 26.367 -0.335 0.920 1.00 0.00 H new ATOM 0 HE2 MET A 965 26.386 -0.762 2.647 1.00 0.00 H new ATOM 0 HE3 MET A 965 25.589 -1.836 1.473 1.00 0.00 H new ATOM 808 N PRO A 966 19.764 1.240 2.452 1.00 0.00 N ATOM 809 CA PRO A 966 18.430 1.507 1.905 1.00 0.00 C ATOM 810 C PRO A 966 17.755 0.245 1.380 1.00 0.00 C ATOM 811 O PRO A 966 18.398 -0.606 0.764 1.00 0.00 O ATOM 812 CB PRO A 966 18.707 2.482 0.758 1.00 0.00 C ATOM 813 CG PRO A 966 20.113 2.201 0.353 1.00 0.00 C ATOM 814 CD PRO A 966 20.834 1.799 1.610 1.00 0.00 C ATOM 0 HA PRO A 966 17.750 1.898 2.661 1.00 0.00 H new ATOM 0 HB2 PRO A 966 18.017 2.324 -0.071 1.00 0.00 H new ATOM 0 HB3 PRO A 966 18.587 3.516 1.080 1.00 0.00 H new ATOM 0 HG2 PRO A 966 20.153 1.406 -0.391 1.00 0.00 H new ATOM 0 HG3 PRO A 966 20.573 3.081 -0.096 1.00 0.00 H new ATOM 0 HD2 PRO A 966 21.613 1.064 1.409 1.00 0.00 H new ATOM 0 HD3 PRO A 966 21.317 2.652 2.087 1.00 0.00 H new ATOM 822 N THR A 967 16.454 0.128 1.628 1.00 0.00 N ATOM 823 CA THR A 967 15.692 -1.030 1.181 1.00 0.00 C ATOM 824 C THR A 967 14.783 -0.673 0.010 1.00 0.00 C ATOM 825 O THR A 967 13.738 -1.291 -0.189 1.00 0.00 O ATOM 826 CB THR A 967 14.835 -1.613 2.321 1.00 0.00 C ATOM 827 OG1 THR A 967 14.075 -0.572 2.945 1.00 0.00 O ATOM 828 CG2 THR A 967 15.710 -2.300 3.358 1.00 0.00 C ATOM 0 H THR A 967 15.906 0.822 2.137 1.00 0.00 H new ATOM 0 HA THR A 967 16.416 -1.779 0.860 1.00 0.00 H new ATOM 0 HB THR A 967 14.156 -2.351 1.894 1.00 0.00 H new ATOM 0 HG1 THR A 967 13.135 -0.843 3.004 1.00 0.00 H new ATOM 0 HG21 THR A 967 15.083 -2.704 4.153 1.00 0.00 H new ATOM 0 HG22 THR A 967 16.265 -3.111 2.886 1.00 0.00 H new ATOM 0 HG23 THR A 967 16.410 -1.578 3.779 1.00 0.00 H new ATOM 836 N GLY A 968 15.189 0.330 -0.763 1.00 0.00 N ATOM 837 CA GLY A 968 14.400 0.752 -1.906 1.00 0.00 C ATOM 838 C GLY A 968 12.951 1.013 -1.545 1.00 0.00 C ATOM 839 O GLY A 968 12.047 0.714 -2.324 1.00 0.00 O ATOM 0 H GLY A 968 16.050 0.858 -0.618 1.00 0.00 H new ATOM 0 HA2 GLY A 968 14.835 1.658 -2.329 1.00 0.00 H new ATOM 0 HA3 GLY A 968 14.446 -0.015 -2.679 1.00 0.00 H new ATOM 843 N GLU A 969 12.730 1.572 -0.359 1.00 0.00 N ATOM 844 CA GLU A 969 11.380 1.871 0.104 1.00 0.00 C ATOM 845 C GLU A 969 11.324 3.242 0.770 1.00 0.00 C ATOM 846 O GLU A 969 12.274 3.662 1.431 1.00 0.00 O ATOM 847 CB GLU A 969 10.903 0.796 1.083 1.00 0.00 C ATOM 848 CG GLU A 969 10.577 -0.531 0.419 1.00 0.00 C ATOM 849 CD GLU A 969 10.760 -1.711 1.353 1.00 0.00 C ATOM 850 OE1 GLU A 969 9.868 -1.945 2.195 1.00 0.00 O ATOM 851 OE2 GLU A 969 11.795 -2.401 1.243 1.00 0.00 O ATOM 0 H GLU A 969 13.468 1.827 0.298 1.00 0.00 H new ATOM 0 HA GLU A 969 10.720 1.881 -0.763 1.00 0.00 H new ATOM 0 HB2 GLU A 969 11.674 0.636 1.837 1.00 0.00 H new ATOM 0 HB3 GLU A 969 10.017 1.159 1.605 1.00 0.00 H new ATOM 0 HG2 GLU A 969 9.547 -0.511 0.062 1.00 0.00 H new ATOM 0 HG3 GLU A 969 11.215 -0.662 -0.455 1.00 0.00 H new ATOM 858 N ALA A 970 10.205 3.936 0.591 1.00 0.00 N ATOM 859 CA ALA A 970 10.024 5.259 1.176 1.00 0.00 C ATOM 860 C ALA A 970 8.555 5.528 1.482 1.00 0.00 C ATOM 861 O ALA A 970 7.665 4.978 0.833 1.00 0.00 O ATOM 862 CB ALA A 970 10.575 6.328 0.243 1.00 0.00 C ATOM 0 H ALA A 970 9.410 3.604 0.045 1.00 0.00 H new ATOM 0 HA ALA A 970 10.575 5.292 2.116 1.00 0.00 H new ATOM 0 HB1 ALA A 970 10.433 7.311 0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 970 11.638 6.154 0.078 1.00 0.00 H new ATOM 0 HB3 ALA A 970 10.048 6.285 -0.710 1.00 0.00 H new ATOM 868 N MET A 971 8.307 6.375 2.475 1.00 0.00 N ATOM 869 CA MET A 971 6.945 6.717 2.867 1.00 0.00 C ATOM 870 C MET A 971 6.742 8.229 2.867 1.00 0.00 C ATOM 871 O MET A 971 7.637 8.985 3.243 1.00 0.00 O ATOM 872 CB MET A 971 6.632 6.149 4.253 1.00 0.00 C ATOM 873 CG MET A 971 6.086 4.731 4.219 1.00 0.00 C ATOM 874 SD MET A 971 4.978 4.380 5.599 1.00 0.00 S ATOM 875 CE MET A 971 6.016 4.828 6.988 1.00 0.00 C ATOM 0 H MET A 971 9.032 6.838 3.023 1.00 0.00 H new ATOM 0 HA MET A 971 6.263 6.277 2.139 1.00 0.00 H new ATOM 0 HB2 MET A 971 7.539 6.166 4.857 1.00 0.00 H new ATOM 0 HB3 MET A 971 5.908 6.797 4.747 1.00 0.00 H new ATOM 0 HG2 MET A 971 5.553 4.573 3.281 1.00 0.00 H new ATOM 0 HG3 MET A 971 6.917 4.025 4.236 1.00 0.00 H new ATOM 0 HE1 MET A 971 5.570 4.456 7.910 1.00 0.00 H new ATOM 0 HE2 MET A 971 7.005 4.388 6.860 1.00 0.00 H new ATOM 0 HE3 MET A 971 6.106 5.913 7.040 1.00 0.00 H new ATOM 885 N VAL A 972 5.559 8.662 2.442 1.00 0.00 N ATOM 886 CA VAL A 972 5.238 10.084 2.394 1.00 0.00 C ATOM 887 C VAL A 972 3.831 10.348 2.917 1.00 0.00 C ATOM 888 O VAL A 972 3.019 9.430 3.035 1.00 0.00 O ATOM 889 CB VAL A 972 5.353 10.636 0.960 1.00 0.00 C ATOM 890 CG1 VAL A 972 6.796 10.584 0.481 1.00 0.00 C ATOM 891 CG2 VAL A 972 4.441 9.865 0.018 1.00 0.00 C ATOM 0 H VAL A 972 4.807 8.049 2.126 1.00 0.00 H new ATOM 0 HA VAL A 972 5.960 10.594 3.031 1.00 0.00 H new ATOM 0 HB VAL A 972 5.035 11.679 0.964 1.00 0.00 H new ATOM 0 HG11 VAL A 972 6.857 10.978 -0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 972 7.421 11.185 1.142 1.00 0.00 H new ATOM 0 HG13 VAL A 972 7.146 9.552 0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 972 4.535 10.268 -0.990 1.00 0.00 H new ATOM 0 HG22 VAL A 972 4.726 8.813 0.016 1.00 0.00 H new ATOM 0 HG23 VAL A 972 3.408 9.961 0.352 1.00 0.00 H new ATOM 901 N ALA A 973 3.549 11.608 3.230 1.00 0.00 N ATOM 902 CA ALA A 973 2.239 11.994 3.739 1.00 0.00 C ATOM 903 C ALA A 973 1.661 13.159 2.942 1.00 0.00 C ATOM 904 O ALA A 973 2.400 13.951 2.357 1.00 0.00 O ATOM 905 CB ALA A 973 2.331 12.356 5.214 1.00 0.00 C ATOM 0 H ALA A 973 4.210 12.379 3.140 1.00 0.00 H new ATOM 0 HA ALA A 973 1.568 11.142 3.626 1.00 0.00 H new ATOM 0 HB1 ALA A 973 1.345 12.642 5.581 1.00 0.00 H new ATOM 0 HB2 ALA A 973 2.692 11.496 5.778 1.00 0.00 H new ATOM 0 HB3 ALA A 973 3.022 13.190 5.342 1.00 0.00 H new ATOM 911 N PHE A 974 0.336 13.257 2.922 1.00 0.00 N ATOM 912 CA PHE A 974 -0.341 14.324 2.195 1.00 0.00 C ATOM 913 C PHE A 974 -1.444 14.947 3.046 1.00 0.00 C ATOM 914 O PHE A 974 -2.127 14.254 3.799 1.00 0.00 O ATOM 915 CB PHE A 974 -0.930 13.786 0.890 1.00 0.00 C ATOM 916 CG PHE A 974 0.077 13.665 -0.218 1.00 0.00 C ATOM 917 CD1 PHE A 974 0.983 12.616 -0.235 1.00 0.00 C ATOM 918 CD2 PHE A 974 0.118 14.598 -1.241 1.00 0.00 C ATOM 919 CE1 PHE A 974 1.912 12.502 -1.253 1.00 0.00 C ATOM 920 CE2 PHE A 974 1.045 14.489 -2.261 1.00 0.00 C ATOM 921 CZ PHE A 974 1.942 13.439 -2.267 1.00 0.00 C ATOM 0 H PHE A 974 -0.290 12.610 3.401 1.00 0.00 H new ATOM 0 HA PHE A 974 0.394 15.095 1.963 1.00 0.00 H new ATOM 0 HB2 PHE A 974 -1.372 12.807 1.077 1.00 0.00 H new ATOM 0 HB3 PHE A 974 -1.737 14.444 0.567 1.00 0.00 H new ATOM 0 HD1 PHE A 974 0.963 11.880 0.555 1.00 0.00 H new ATOM 0 HD2 PHE A 974 -0.582 15.420 -1.242 1.00 0.00 H new ATOM 0 HE1 PHE A 974 2.613 11.681 -1.255 1.00 0.00 H new ATOM 0 HE2 PHE A 974 1.068 15.224 -3.052 1.00 0.00 H new ATOM 0 HZ PHE A 974 2.666 13.351 -3.064 1.00 0.00 H new ATOM 931 N GLU A 975 -1.610 16.260 2.919 1.00 0.00 N ATOM 932 CA GLU A 975 -2.629 16.977 3.677 1.00 0.00 C ATOM 933 C GLU A 975 -4.028 16.597 3.203 1.00 0.00 C ATOM 934 O GLU A 975 -4.968 16.535 3.995 1.00 0.00 O ATOM 935 CB GLU A 975 -2.426 18.488 3.545 1.00 0.00 C ATOM 936 CG GLU A 975 -1.044 18.956 3.967 1.00 0.00 C ATOM 937 CD GLU A 975 -0.978 20.454 4.190 1.00 0.00 C ATOM 938 OE1 GLU A 975 -1.259 21.209 3.236 1.00 0.00 O ATOM 939 OE2 GLU A 975 -0.645 20.871 5.319 1.00 0.00 O ATOM 0 H GLU A 975 -1.053 16.848 2.299 1.00 0.00 H new ATOM 0 HA GLU A 975 -2.531 16.695 4.725 1.00 0.00 H new ATOM 0 HB2 GLU A 975 -2.599 18.780 2.509 1.00 0.00 H new ATOM 0 HB3 GLU A 975 -3.174 19.001 4.150 1.00 0.00 H new ATOM 0 HG2 GLU A 975 -0.755 18.443 4.884 1.00 0.00 H new ATOM 0 HG3 GLU A 975 -0.320 18.674 3.203 1.00 0.00 H new ATOM 946 N SER A 976 -4.158 16.344 1.904 1.00 0.00 N ATOM 947 CA SER A 976 -5.443 15.974 1.322 1.00 0.00 C ATOM 948 C SER A 976 -5.363 14.605 0.654 1.00 0.00 C ATOM 949 O SER A 976 -4.471 14.347 -0.154 1.00 0.00 O ATOM 950 CB SER A 976 -5.886 17.026 0.303 1.00 0.00 C ATOM 951 OG SER A 976 -6.560 18.099 0.938 1.00 0.00 O ATOM 0 H SER A 976 -3.389 16.389 1.235 1.00 0.00 H new ATOM 0 HA SER A 976 -6.178 15.924 2.126 1.00 0.00 H new ATOM 0 HB2 SER A 976 -5.017 17.405 -0.234 1.00 0.00 H new ATOM 0 HB3 SER A 976 -6.542 16.567 -0.436 1.00 0.00 H new ATOM 0 HG SER A 976 -6.831 18.759 0.266 1.00 0.00 H new ATOM 957 N ARG A 977 -6.301 13.730 0.999 1.00 0.00 N ATOM 958 CA ARG A 977 -6.337 12.386 0.435 1.00 0.00 C ATOM 959 C ARG A 977 -6.533 12.436 -1.077 1.00 0.00 C ATOM 960 O ARG A 977 -6.073 11.554 -1.802 1.00 0.00 O ATOM 961 CB ARG A 977 -7.460 11.569 1.078 1.00 0.00 C ATOM 962 CG ARG A 977 -8.848 11.952 0.590 1.00 0.00 C ATOM 963 CD ARG A 977 -9.796 10.764 0.622 1.00 0.00 C ATOM 964 NE ARG A 977 -10.502 10.660 1.896 1.00 0.00 N ATOM 965 CZ ARG A 977 -11.035 9.532 2.352 1.00 0.00 C ATOM 966 NH1 ARG A 977 -10.941 8.417 1.641 1.00 0.00 N ATOM 967 NH2 ARG A 977 -11.661 9.518 3.521 1.00 0.00 N ATOM 0 H ARG A 977 -7.047 13.927 1.667 1.00 0.00 H new ATOM 0 HA ARG A 977 -5.381 11.906 0.645 1.00 0.00 H new ATOM 0 HB2 ARG A 977 -7.291 10.512 0.874 1.00 0.00 H new ATOM 0 HB3 ARG A 977 -7.417 11.696 2.160 1.00 0.00 H new ATOM 0 HG2 ARG A 977 -9.246 12.753 1.213 1.00 0.00 H new ATOM 0 HG3 ARG A 977 -8.783 12.340 -0.426 1.00 0.00 H new ATOM 0 HD2 ARG A 977 -10.520 10.857 -0.187 1.00 0.00 H new ATOM 0 HD3 ARG A 977 -9.234 9.847 0.443 1.00 0.00 H new ATOM 0 HE ARG A 977 -10.591 11.500 2.467 1.00 0.00 H new ATOM 0 HH11 ARG A 977 -10.459 8.424 0.742 1.00 0.00 H new ATOM 0 HH12 ARG A 977 -11.351 7.552 1.993 1.00 0.00 H new ATOM 0 HH21 ARG A 977 -11.734 10.374 4.071 1.00 0.00 H new ATOM 0 HH22 ARG A 977 -12.070 8.651 3.870 1.00 0.00 H new ATOM 981 N ASP A 978 -7.218 13.473 -1.546 1.00 0.00 N ATOM 982 CA ASP A 978 -7.474 13.639 -2.972 1.00 0.00 C ATOM 983 C ASP A 978 -6.176 13.892 -3.731 1.00 0.00 C ATOM 984 O ASP A 978 -5.967 13.353 -4.818 1.00 0.00 O ATOM 985 CB ASP A 978 -8.449 14.794 -3.205 1.00 0.00 C ATOM 986 CG ASP A 978 -9.898 14.362 -3.089 1.00 0.00 C ATOM 987 OD1 ASP A 978 -10.313 13.465 -3.852 1.00 0.00 O ATOM 988 OD2 ASP A 978 -10.616 14.921 -2.234 1.00 0.00 O ATOM 0 H ASP A 978 -7.606 14.212 -0.959 1.00 0.00 H new ATOM 0 HA ASP A 978 -7.919 12.717 -3.346 1.00 0.00 H new ATOM 0 HB2 ASP A 978 -8.250 15.585 -2.482 1.00 0.00 H new ATOM 0 HB3 ASP A 978 -8.277 15.216 -4.195 1.00 0.00 H new ATOM 993 N GLU A 979 -5.307 14.715 -3.152 1.00 0.00 N ATOM 994 CA GLU A 979 -4.030 15.039 -3.776 1.00 0.00 C ATOM 995 C GLU A 979 -3.114 13.819 -3.807 1.00 0.00 C ATOM 996 O GLU A 979 -2.474 13.536 -4.819 1.00 0.00 O ATOM 997 CB GLU A 979 -3.348 16.185 -3.027 1.00 0.00 C ATOM 998 CG GLU A 979 -3.790 17.564 -3.488 1.00 0.00 C ATOM 999 CD GLU A 979 -3.817 17.691 -4.999 1.00 0.00 C ATOM 1000 OE1 GLU A 979 -2.782 18.078 -5.580 1.00 0.00 O ATOM 1001 OE2 GLU A 979 -4.874 17.405 -5.600 1.00 0.00 O ATOM 0 H GLU A 979 -5.464 15.169 -2.252 1.00 0.00 H new ATOM 0 HA GLU A 979 -4.225 15.351 -4.802 1.00 0.00 H new ATOM 0 HB2 GLU A 979 -3.554 16.084 -1.961 1.00 0.00 H new ATOM 0 HB3 GLU A 979 -2.269 16.098 -3.153 1.00 0.00 H new ATOM 0 HG2 GLU A 979 -4.783 17.775 -3.091 1.00 0.00 H new ATOM 0 HG3 GLU A 979 -3.116 18.315 -3.076 1.00 0.00 H new ATOM 1008 N ALA A 980 -3.056 13.102 -2.689 1.00 0.00 N ATOM 1009 CA ALA A 980 -2.220 11.912 -2.588 1.00 0.00 C ATOM 1010 C ALA A 980 -2.583 10.893 -3.662 1.00 0.00 C ATOM 1011 O ALA A 980 -1.710 10.357 -4.345 1.00 0.00 O ATOM 1012 CB ALA A 980 -2.349 11.293 -1.204 1.00 0.00 C ATOM 0 H ALA A 980 -3.578 13.325 -1.841 1.00 0.00 H new ATOM 0 HA ALA A 980 -1.184 12.211 -2.745 1.00 0.00 H new ATOM 0 HB1 ALA A 980 -1.720 10.405 -1.142 1.00 0.00 H new ATOM 0 HB2 ALA A 980 -2.032 12.015 -0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 980 -3.388 11.014 -1.025 1.00 0.00 H new ATOM 1018 N THR A 981 -3.878 10.627 -3.805 1.00 0.00 N ATOM 1019 CA THR A 981 -4.357 9.670 -4.794 1.00 0.00 C ATOM 1020 C THR A 981 -4.058 10.147 -6.211 1.00 0.00 C ATOM 1021 O THR A 981 -3.618 9.370 -7.058 1.00 0.00 O ATOM 1022 CB THR A 981 -5.872 9.428 -4.655 1.00 0.00 C ATOM 1023 OG1 THR A 981 -6.221 9.291 -3.273 1.00 0.00 O ATOM 1024 CG2 THR A 981 -6.293 8.180 -5.416 1.00 0.00 C ATOM 0 H THR A 981 -4.614 11.061 -3.248 1.00 0.00 H new ATOM 0 HA THR A 981 -3.829 8.735 -4.609 1.00 0.00 H new ATOM 0 HB THR A 981 -6.395 10.286 -5.078 1.00 0.00 H new ATOM 0 HG1 THR A 981 -6.213 10.172 -2.845 1.00 0.00 H new ATOM 0 HG21 THR A 981 -7.367 8.030 -5.303 1.00 0.00 H new ATOM 0 HG22 THR A 981 -6.052 8.300 -6.472 1.00 0.00 H new ATOM 0 HG23 THR A 981 -5.762 7.315 -5.019 1.00 0.00 H new ATOM 1032 N ALA A 982 -4.298 11.430 -6.461 1.00 0.00 N ATOM 1033 CA ALA A 982 -4.052 12.011 -7.775 1.00 0.00 C ATOM 1034 C ALA A 982 -2.581 11.895 -8.159 1.00 0.00 C ATOM 1035 O ALA A 982 -2.251 11.588 -9.305 1.00 0.00 O ATOM 1036 CB ALA A 982 -4.492 13.467 -7.799 1.00 0.00 C ATOM 0 H ALA A 982 -4.662 12.087 -5.771 1.00 0.00 H new ATOM 0 HA ALA A 982 -4.637 11.454 -8.507 1.00 0.00 H new ATOM 0 HB1 ALA A 982 -4.302 13.888 -8.786 1.00 0.00 H new ATOM 0 HB2 ALA A 982 -5.557 13.529 -7.577 1.00 0.00 H new ATOM 0 HB3 ALA A 982 -3.932 14.029 -7.051 1.00 0.00 H new ATOM 1042 N ALA A 983 -1.701 12.142 -7.195 1.00 0.00 N ATOM 1043 CA ALA A 983 -0.265 12.064 -7.433 1.00 0.00 C ATOM 1044 C ALA A 983 0.168 10.629 -7.713 1.00 0.00 C ATOM 1045 O ALA A 983 1.023 10.383 -8.564 1.00 0.00 O ATOM 1046 CB ALA A 983 0.499 12.625 -6.242 1.00 0.00 C ATOM 0 H ALA A 983 -1.957 12.398 -6.241 1.00 0.00 H new ATOM 0 HA ALA A 983 -0.035 12.664 -8.314 1.00 0.00 H new ATOM 0 HB1 ALA A 983 1.570 12.560 -6.434 1.00 0.00 H new ATOM 0 HB2 ALA A 983 0.220 13.668 -6.089 1.00 0.00 H new ATOM 0 HB3 ALA A 983 0.255 12.049 -5.349 1.00 0.00 H new ATOM 1052 N VAL A 984 -0.428 9.685 -6.992 1.00 0.00 N ATOM 1053 CA VAL A 984 -0.104 8.273 -7.163 1.00 0.00 C ATOM 1054 C VAL A 984 -0.499 7.784 -8.552 1.00 0.00 C ATOM 1055 O VAL A 984 0.295 7.151 -9.247 1.00 0.00 O ATOM 1056 CB VAL A 984 -0.807 7.403 -6.105 1.00 0.00 C ATOM 1057 CG1 VAL A 984 -0.567 5.927 -6.381 1.00 0.00 C ATOM 1058 CG2 VAL A 984 -0.333 7.777 -4.708 1.00 0.00 C ATOM 0 H VAL A 984 -1.138 9.872 -6.284 1.00 0.00 H new ATOM 0 HA VAL A 984 0.975 8.178 -7.040 1.00 0.00 H new ATOM 0 HB VAL A 984 -1.880 7.588 -6.162 1.00 0.00 H new ATOM 0 HG11 VAL A 984 -1.072 5.328 -5.623 1.00 0.00 H new ATOM 0 HG12 VAL A 984 -0.960 5.672 -7.365 1.00 0.00 H new ATOM 0 HG13 VAL A 984 0.503 5.721 -6.353 1.00 0.00 H new ATOM 0 HG21 VAL A 984 -0.840 7.152 -3.972 1.00 0.00 H new ATOM 0 HG22 VAL A 984 0.743 7.622 -4.635 1.00 0.00 H new ATOM 0 HG23 VAL A 984 -0.563 8.825 -4.514 1.00 0.00 H new ATOM 1068 N ILE A 985 -1.732 8.081 -8.949 1.00 0.00 N ATOM 1069 CA ILE A 985 -2.232 7.672 -10.256 1.00 0.00 C ATOM 1070 C ILE A 985 -1.443 8.337 -11.379 1.00 0.00 C ATOM 1071 O ILE A 985 -1.086 7.693 -12.365 1.00 0.00 O ATOM 1072 CB ILE A 985 -3.725 8.016 -10.419 1.00 0.00 C ATOM 1073 CG1 ILE A 985 -4.556 7.296 -9.355 1.00 0.00 C ATOM 1074 CG2 ILE A 985 -4.204 7.643 -11.815 1.00 0.00 C ATOM 1075 CD1 ILE A 985 -5.945 7.869 -9.184 1.00 0.00 C ATOM 0 H ILE A 985 -2.403 8.603 -8.385 1.00 0.00 H new ATOM 0 HA ILE A 985 -2.107 6.591 -10.318 1.00 0.00 H new ATOM 0 HB ILE A 985 -3.852 9.090 -10.286 1.00 0.00 H new ATOM 0 HG12 ILE A 985 -4.637 6.242 -9.620 1.00 0.00 H new ATOM 0 HG13 ILE A 985 -4.031 7.345 -8.401 1.00 0.00 H new ATOM 0 HG21 ILE A 985 -5.260 7.892 -11.916 1.00 0.00 H new ATOM 0 HG22 ILE A 985 -3.629 8.196 -12.557 1.00 0.00 H new ATOM 0 HG23 ILE A 985 -4.066 6.573 -11.973 1.00 0.00 H new ATOM 0 HD11 ILE A 985 -6.477 7.310 -8.414 1.00 0.00 H new ATOM 0 HD12 ILE A 985 -5.873 8.916 -8.888 1.00 0.00 H new ATOM 0 HD13 ILE A 985 -6.488 7.795 -10.126 1.00 0.00 H new ATOM 1087 N ASP A 986 -1.174 9.628 -11.221 1.00 0.00 N ATOM 1088 CA ASP A 986 -0.424 10.380 -12.221 1.00 0.00 C ATOM 1089 C ASP A 986 1.059 10.027 -12.167 1.00 0.00 C ATOM 1090 O ASP A 986 1.785 10.196 -13.148 1.00 0.00 O ATOM 1091 CB ASP A 986 -0.611 11.883 -12.006 1.00 0.00 C ATOM 1092 CG ASP A 986 -1.816 12.428 -12.747 1.00 0.00 C ATOM 1093 OD1 ASP A 986 -2.810 11.686 -12.890 1.00 0.00 O ATOM 1094 OD2 ASP A 986 -1.765 13.597 -13.184 1.00 0.00 O ATOM 0 H ASP A 986 -1.464 10.176 -10.411 1.00 0.00 H new ATOM 0 HA ASP A 986 -0.808 10.111 -13.205 1.00 0.00 H new ATOM 0 HB2 ASP A 986 -0.722 12.084 -10.940 1.00 0.00 H new ATOM 0 HB3 ASP A 986 0.284 12.409 -12.338 1.00 0.00 H new ATOM 1099 N LEU A 987 1.504 9.536 -11.016 1.00 0.00 N ATOM 1100 CA LEU A 987 2.901 9.159 -10.833 1.00 0.00 C ATOM 1101 C LEU A 987 3.032 7.662 -10.569 1.00 0.00 C ATOM 1102 O LEU A 987 4.030 7.205 -10.014 1.00 0.00 O ATOM 1103 CB LEU A 987 3.515 9.948 -9.675 1.00 0.00 C ATOM 1104 CG LEU A 987 3.307 11.462 -9.710 1.00 0.00 C ATOM 1105 CD1 LEU A 987 3.556 12.067 -8.337 1.00 0.00 C ATOM 1106 CD2 LEU A 987 4.215 12.102 -10.750 1.00 0.00 C ATOM 0 H LEU A 987 0.917 9.389 -10.195 1.00 0.00 H new ATOM 0 HA LEU A 987 3.438 9.395 -11.751 1.00 0.00 H new ATOM 0 HB2 LEU A 987 3.101 9.566 -8.742 1.00 0.00 H new ATOM 0 HB3 LEU A 987 4.586 9.749 -9.654 1.00 0.00 H new ATOM 0 HG LEU A 987 2.272 11.661 -9.990 1.00 0.00 H new ATOM 0 HD11 LEU A 987 3.403 13.145 -8.381 1.00 0.00 H new ATOM 0 HD12 LEU A 987 2.863 11.632 -7.617 1.00 0.00 H new ATOM 0 HD13 LEU A 987 4.580 11.858 -8.028 1.00 0.00 H new ATOM 0 HD21 LEU A 987 4.053 13.180 -10.761 1.00 0.00 H new ATOM 0 HD22 LEU A 987 5.256 11.894 -10.502 1.00 0.00 H new ATOM 0 HD23 LEU A 987 3.988 11.691 -11.734 1.00 0.00 H new ATOM 1118 N ASN A 988 2.017 6.905 -10.972 1.00 0.00 N ATOM 1119 CA ASN A 988 2.019 5.459 -10.780 1.00 0.00 C ATOM 1120 C ASN A 988 2.856 4.769 -11.853 1.00 0.00 C ATOM 1121 O ASN A 988 2.880 5.198 -13.007 1.00 0.00 O ATOM 1122 CB ASN A 988 0.588 4.918 -10.808 1.00 0.00 C ATOM 1123 CG ASN A 988 0.532 3.449 -11.183 1.00 0.00 C ATOM 1124 OD1 ASN A 988 -0.003 3.085 -12.230 1.00 0.00 O ATOM 1125 ND2 ASN A 988 1.087 2.599 -10.327 1.00 0.00 N ATOM 0 H ASN A 988 1.183 7.268 -11.433 1.00 0.00 H new ATOM 0 HA ASN A 988 2.462 5.247 -9.807 1.00 0.00 H new ATOM 0 HB2 ASN A 988 0.130 5.058 -9.829 1.00 0.00 H new ATOM 0 HB3 ASN A 988 -0.002 5.495 -11.521 1.00 0.00 H new ATOM 0 HD21 ASN A 988 1.081 1.599 -10.525 1.00 0.00 H new ATOM 0 HD22 ASN A 988 1.519 2.947 -9.471 1.00 0.00 H new ATOM 1132 N ASP A 989 3.540 3.699 -11.464 1.00 0.00 N ATOM 1133 CA ASP A 989 4.377 2.948 -12.393 1.00 0.00 C ATOM 1134 C ASP A 989 5.309 3.880 -13.161 1.00 0.00 C ATOM 1135 O ASP A 989 5.536 3.700 -14.357 1.00 0.00 O ATOM 1136 CB ASP A 989 3.508 2.156 -13.371 1.00 0.00 C ATOM 1137 CG ASP A 989 2.813 3.048 -14.381 1.00 0.00 C ATOM 1138 OD1 ASP A 989 3.420 3.339 -15.433 1.00 0.00 O ATOM 1139 OD2 ASP A 989 1.662 3.455 -14.119 1.00 0.00 O ATOM 0 H ASP A 989 3.532 3.332 -10.512 1.00 0.00 H new ATOM 0 HA ASP A 989 4.985 2.252 -11.814 1.00 0.00 H new ATOM 0 HB2 ASP A 989 4.128 1.430 -13.897 1.00 0.00 H new ATOM 0 HB3 ASP A 989 2.760 1.592 -12.813 1.00 0.00 H new ATOM 1144 N ARG A 990 5.844 4.879 -12.465 1.00 0.00 N ATOM 1145 CA ARG A 990 6.748 5.841 -13.082 1.00 0.00 C ATOM 1146 C ARG A 990 8.177 5.306 -13.105 1.00 0.00 C ATOM 1147 O ARG A 990 8.726 4.886 -12.086 1.00 0.00 O ATOM 1148 CB ARG A 990 6.703 7.172 -12.328 1.00 0.00 C ATOM 1149 CG ARG A 990 5.429 7.965 -12.570 1.00 0.00 C ATOM 1150 CD ARG A 990 5.497 8.745 -13.873 1.00 0.00 C ATOM 1151 NE ARG A 990 5.151 7.917 -15.026 1.00 0.00 N ATOM 1152 CZ ARG A 990 5.197 8.349 -16.281 1.00 0.00 C ATOM 1153 NH1 ARG A 990 5.572 9.593 -16.545 1.00 0.00 N ATOM 1154 NH2 ARG A 990 4.867 7.535 -17.276 1.00 0.00 N ATOM 0 H ARG A 990 5.667 5.042 -11.474 1.00 0.00 H new ATOM 0 HA ARG A 990 6.421 6.002 -14.109 1.00 0.00 H new ATOM 0 HB2 ARG A 990 6.803 6.979 -11.260 1.00 0.00 H new ATOM 0 HB3 ARG A 990 7.560 7.777 -12.624 1.00 0.00 H new ATOM 0 HG2 ARG A 990 4.576 7.287 -12.595 1.00 0.00 H new ATOM 0 HG3 ARG A 990 5.265 8.653 -11.741 1.00 0.00 H new ATOM 0 HD2 ARG A 990 4.818 9.596 -13.822 1.00 0.00 H new ATOM 0 HD3 ARG A 990 6.502 9.146 -14.003 1.00 0.00 H new ATOM 0 HE ARG A 990 4.858 6.955 -14.858 1.00 0.00 H new ATOM 0 HH11 ARG A 990 5.826 10.222 -15.783 1.00 0.00 H new ATOM 0 HH12 ARG A 990 5.606 9.921 -17.510 1.00 0.00 H new ATOM 0 HH21 ARG A 990 4.578 6.577 -17.077 1.00 0.00 H new ATOM 0 HH22 ARG A 990 4.902 7.867 -18.240 1.00 0.00 H new ATOM 1168 N PRO A 991 8.795 5.320 -14.296 1.00 0.00 N ATOM 1169 CA PRO A 991 10.168 4.841 -14.481 1.00 0.00 C ATOM 1170 C PRO A 991 11.196 5.757 -13.826 1.00 0.00 C ATOM 1171 O PRO A 991 11.735 6.659 -14.469 1.00 0.00 O ATOM 1172 CB PRO A 991 10.342 4.842 -16.002 1.00 0.00 C ATOM 1173 CG PRO A 991 9.374 5.862 -16.493 1.00 0.00 C ATOM 1174 CD PRO A 991 8.202 5.807 -15.553 1.00 0.00 C ATOM 0 HA PRO A 991 10.324 3.865 -14.021 1.00 0.00 H new ATOM 0 HB2 PRO A 991 11.363 5.098 -16.283 1.00 0.00 H new ATOM 0 HB3 PRO A 991 10.131 3.860 -16.425 1.00 0.00 H new ATOM 0 HG2 PRO A 991 9.823 6.855 -16.499 1.00 0.00 H new ATOM 0 HG3 PRO A 991 9.065 5.646 -17.516 1.00 0.00 H new ATOM 0 HD2 PRO A 991 7.742 6.787 -15.427 1.00 0.00 H new ATOM 0 HD3 PRO A 991 7.425 5.135 -15.918 1.00 0.00 H new ATOM 1182 N ILE A 992 11.462 5.521 -12.546 1.00 0.00 N ATOM 1183 CA ILE A 992 12.427 6.325 -11.806 1.00 0.00 C ATOM 1184 C ILE A 992 13.846 5.802 -12.005 1.00 0.00 C ATOM 1185 O ILE A 992 14.126 4.629 -11.760 1.00 0.00 O ATOM 1186 CB ILE A 992 12.105 6.345 -10.300 1.00 0.00 C ATOM 1187 CG1 ILE A 992 10.907 7.256 -10.025 1.00 0.00 C ATOM 1188 CG2 ILE A 992 13.319 6.803 -9.506 1.00 0.00 C ATOM 1189 CD1 ILE A 992 10.651 7.489 -8.553 1.00 0.00 C ATOM 0 H ILE A 992 11.023 4.780 -12.000 1.00 0.00 H new ATOM 0 HA ILE A 992 12.359 7.340 -12.197 1.00 0.00 H new ATOM 0 HB ILE A 992 11.849 5.334 -9.984 1.00 0.00 H new ATOM 0 HG12 ILE A 992 11.072 8.216 -10.513 1.00 0.00 H new ATOM 0 HG13 ILE A 992 10.016 6.818 -10.476 1.00 0.00 H new ATOM 0 HG21 ILE A 992 13.076 6.812 -8.443 1.00 0.00 H new ATOM 0 HG22 ILE A 992 14.149 6.119 -9.683 1.00 0.00 H new ATOM 0 HG23 ILE A 992 13.603 7.807 -9.822 1.00 0.00 H new ATOM 0 HD11 ILE A 992 9.788 8.143 -8.433 1.00 0.00 H new ATOM 0 HD12 ILE A 992 10.455 6.536 -8.062 1.00 0.00 H new ATOM 0 HD13 ILE A 992 11.526 7.956 -8.101 1.00 0.00 H new ATOM 1201 N GLY A 993 14.739 6.682 -12.448 1.00 0.00 N ATOM 1202 CA GLY A 993 16.119 6.290 -12.670 1.00 0.00 C ATOM 1203 C GLY A 993 16.252 5.206 -13.720 1.00 0.00 C ATOM 1204 O GLY A 993 16.325 5.495 -14.914 1.00 0.00 O ATOM 0 H GLY A 993 14.532 7.659 -12.657 1.00 0.00 H new ATOM 0 HA2 GLY A 993 16.696 7.162 -12.977 1.00 0.00 H new ATOM 0 HA3 GLY A 993 16.549 5.938 -11.732 1.00 0.00 H new ATOM 1208 N SER A 994 16.286 3.954 -13.275 1.00 0.00 N ATOM 1209 CA SER A 994 16.417 2.822 -14.185 1.00 0.00 C ATOM 1210 C SER A 994 15.356 1.765 -13.894 1.00 0.00 C ATOM 1211 O SER A 994 15.272 0.748 -14.583 1.00 0.00 O ATOM 1212 CB SER A 994 17.812 2.206 -14.068 1.00 0.00 C ATOM 1213 OG SER A 994 18.107 1.862 -12.726 1.00 0.00 O ATOM 0 H SER A 994 16.225 3.698 -12.290 1.00 0.00 H new ATOM 0 HA SER A 994 16.272 3.186 -15.202 1.00 0.00 H new ATOM 0 HB2 SER A 994 17.874 1.318 -14.696 1.00 0.00 H new ATOM 0 HB3 SER A 994 18.556 2.911 -14.438 1.00 0.00 H new ATOM 0 HG SER A 994 19.003 1.469 -12.679 1.00 0.00 H new ATOM 1219 N ARG A 995 14.548 2.013 -12.869 1.00 0.00 N ATOM 1220 CA ARG A 995 13.493 1.083 -12.485 1.00 0.00 C ATOM 1221 C ARG A 995 12.176 1.820 -12.258 1.00 0.00 C ATOM 1222 O ARG A 995 12.152 3.042 -12.113 1.00 0.00 O ATOM 1223 CB ARG A 995 13.890 0.323 -11.218 1.00 0.00 C ATOM 1224 CG ARG A 995 15.264 -0.320 -11.299 1.00 0.00 C ATOM 1225 CD ARG A 995 15.471 -1.335 -10.186 1.00 0.00 C ATOM 1226 NE ARG A 995 16.388 -2.401 -10.580 1.00 0.00 N ATOM 1227 CZ ARG A 995 16.844 -3.325 -9.743 1.00 0.00 C ATOM 1228 NH1 ARG A 995 16.469 -3.315 -8.471 1.00 0.00 N ATOM 1229 NH2 ARG A 995 17.677 -4.263 -10.177 1.00 0.00 N ATOM 0 H ARG A 995 14.604 2.850 -12.289 1.00 0.00 H new ATOM 0 HA ARG A 995 13.356 0.371 -13.299 1.00 0.00 H new ATOM 0 HB2 ARG A 995 13.869 1.009 -10.371 1.00 0.00 H new ATOM 0 HB3 ARG A 995 13.147 -0.450 -11.021 1.00 0.00 H new ATOM 0 HG2 ARG A 995 15.381 -0.810 -12.266 1.00 0.00 H new ATOM 0 HG3 ARG A 995 16.032 0.451 -11.237 1.00 0.00 H new ATOM 0 HD2 ARG A 995 15.861 -0.830 -9.303 1.00 0.00 H new ATOM 0 HD3 ARG A 995 14.510 -1.768 -9.907 1.00 0.00 H new ATOM 0 HE ARG A 995 16.695 -2.438 -11.552 1.00 0.00 H new ATOM 0 HH11 ARG A 995 15.829 -2.596 -8.134 1.00 0.00 H new ATOM 0 HH12 ARG A 995 16.821 -4.026 -7.830 1.00 0.00 H new ATOM 0 HH21 ARG A 995 17.967 -4.274 -11.155 1.00 0.00 H new ATOM 0 HH22 ARG A 995 18.027 -4.972 -9.533 1.00 0.00 H new ATOM 1243 N LYS A 996 11.081 1.067 -12.228 1.00 0.00 N ATOM 1244 CA LYS A 996 9.759 1.646 -12.018 1.00 0.00 C ATOM 1245 C LYS A 996 9.383 1.621 -10.540 1.00 0.00 C ATOM 1246 O LYS A 996 9.700 0.670 -9.825 1.00 0.00 O ATOM 1247 CB LYS A 996 8.712 0.887 -12.836 1.00 0.00 C ATOM 1248 CG LYS A 996 8.957 0.935 -14.334 1.00 0.00 C ATOM 1249 CD LYS A 996 8.094 -0.074 -15.073 1.00 0.00 C ATOM 1250 CE LYS A 996 7.877 0.334 -16.522 1.00 0.00 C ATOM 1251 NZ LYS A 996 6.972 1.511 -16.637 1.00 0.00 N ATOM 0 H LYS A 996 11.083 0.054 -12.347 1.00 0.00 H new ATOM 0 HA LYS A 996 9.787 2.684 -12.349 1.00 0.00 H new ATOM 0 HB2 LYS A 996 8.695 -0.154 -12.512 1.00 0.00 H new ATOM 0 HB3 LYS A 996 7.727 1.303 -12.624 1.00 0.00 H new ATOM 0 HG2 LYS A 996 8.746 1.937 -14.706 1.00 0.00 H new ATOM 0 HG3 LYS A 996 10.009 0.734 -14.538 1.00 0.00 H new ATOM 0 HD2 LYS A 996 8.568 -1.055 -15.037 1.00 0.00 H new ATOM 0 HD3 LYS A 996 7.131 -0.167 -14.572 1.00 0.00 H new ATOM 0 HE2 LYS A 996 8.837 0.568 -16.981 1.00 0.00 H new ATOM 0 HE3 LYS A 996 7.455 -0.504 -17.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 996 6.606 1.574 -17.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 996 6.178 1.404 -15.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 996 7.499 2.378 -16.409 1.00 0.00 H new ATOM 1265 N VAL A 997 8.703 2.670 -10.089 1.00 0.00 N ATOM 1266 CA VAL A 997 8.280 2.767 -8.697 1.00 0.00 C ATOM 1267 C VAL A 997 6.799 2.437 -8.548 1.00 0.00 C ATOM 1268 O VAL A 997 6.009 2.650 -9.467 1.00 0.00 O ATOM 1269 CB VAL A 997 8.542 4.173 -8.127 1.00 0.00 C ATOM 1270 CG1 VAL A 997 10.009 4.337 -7.761 1.00 0.00 C ATOM 1271 CG2 VAL A 997 8.111 5.239 -9.123 1.00 0.00 C ATOM 0 H VAL A 997 8.433 3.465 -10.668 1.00 0.00 H new ATOM 0 HA VAL A 997 8.869 2.041 -8.136 1.00 0.00 H new ATOM 0 HB VAL A 997 7.951 4.294 -7.219 1.00 0.00 H new ATOM 0 HG11 VAL A 997 10.174 5.337 -7.360 1.00 0.00 H new ATOM 0 HG12 VAL A 997 10.282 3.595 -7.010 1.00 0.00 H new ATOM 0 HG13 VAL A 997 10.624 4.196 -8.650 1.00 0.00 H new ATOM 0 HG21 VAL A 997 8.303 6.227 -8.704 1.00 0.00 H new ATOM 0 HG22 VAL A 997 8.675 5.121 -10.049 1.00 0.00 H new ATOM 0 HG23 VAL A 997 7.046 5.134 -9.331 1.00 0.00 H new ATOM 1281 N LYS A 998 6.429 1.916 -7.383 1.00 0.00 N ATOM 1282 CA LYS A 998 5.043 1.558 -7.110 1.00 0.00 C ATOM 1283 C LYS A 998 4.467 2.420 -5.992 1.00 0.00 C ATOM 1284 O LYS A 998 5.027 2.489 -4.897 1.00 0.00 O ATOM 1285 CB LYS A 998 4.942 0.078 -6.731 1.00 0.00 C ATOM 1286 CG LYS A 998 3.531 -0.365 -6.383 1.00 0.00 C ATOM 1287 CD LYS A 998 2.604 -0.269 -7.583 1.00 0.00 C ATOM 1288 CE LYS A 998 1.177 -0.647 -7.216 1.00 0.00 C ATOM 1289 NZ LYS A 998 1.068 -2.077 -6.815 1.00 0.00 N ATOM 0 H LYS A 998 7.071 1.732 -6.612 1.00 0.00 H new ATOM 0 HA LYS A 998 4.464 1.736 -8.016 1.00 0.00 H new ATOM 0 HB2 LYS A 998 5.310 -0.527 -7.560 1.00 0.00 H new ATOM 0 HB3 LYS A 998 5.595 -0.116 -5.880 1.00 0.00 H new ATOM 0 HG2 LYS A 998 3.551 -1.392 -6.019 1.00 0.00 H new ATOM 0 HG3 LYS A 998 3.144 0.253 -5.573 1.00 0.00 H new ATOM 0 HD2 LYS A 998 2.622 0.747 -7.978 1.00 0.00 H new ATOM 0 HD3 LYS A 998 2.963 -0.926 -8.375 1.00 0.00 H new ATOM 0 HE2 LYS A 998 0.832 -0.013 -6.399 1.00 0.00 H new ATOM 0 HE3 LYS A 998 0.521 -0.457 -8.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 998 0.066 -2.331 -6.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 998 1.498 -2.677 -7.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 998 1.564 -2.223 -5.913 1.00 0.00 H new ATOM 1303 N LEU A 999 3.347 3.076 -6.273 1.00 0.00 N ATOM 1304 CA LEU A 999 2.694 3.933 -5.290 1.00 0.00 C ATOM 1305 C LEU A 999 1.367 3.332 -4.838 1.00 0.00 C ATOM 1306 O LEU A 999 0.522 2.978 -5.660 1.00 0.00 O ATOM 1307 CB LEU A 999 2.463 5.328 -5.874 1.00 0.00 C ATOM 1308 CG LEU A 999 3.719 6.115 -6.250 1.00 0.00 C ATOM 1309 CD1 LEU A 999 3.356 7.329 -7.091 1.00 0.00 C ATOM 1310 CD2 LEU A 999 4.478 6.537 -5.000 1.00 0.00 C ATOM 0 H LEU A 999 2.872 3.031 -7.174 1.00 0.00 H new ATOM 0 HA LEU A 999 3.349 4.013 -4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 999 1.841 5.229 -6.763 1.00 0.00 H new ATOM 0 HB3 LEU A 999 1.895 5.913 -5.151 1.00 0.00 H new ATOM 0 HG LEU A 999 4.366 5.468 -6.843 1.00 0.00 H new ATOM 0 HD11 LEU A 999 4.262 7.877 -7.349 1.00 0.00 H new ATOM 0 HD12 LEU A 999 2.857 7.003 -8.003 1.00 0.00 H new ATOM 0 HD13 LEU A 999 2.689 7.978 -6.524 1.00 0.00 H new ATOM 0 HD21 LEU A 999 5.369 7.096 -5.287 1.00 0.00 H new ATOM 0 HD22 LEU A 999 3.838 7.166 -4.381 1.00 0.00 H new ATOM 0 HD23 LEU A 999 4.771 5.652 -4.436 1.00 0.00 H new ATOM 1322 N VAL A1000 1.190 3.221 -3.525 1.00 0.00 N ATOM 1323 CA VAL A1000 -0.036 2.666 -2.964 1.00 0.00 C ATOM 1324 C VAL A1000 -0.558 3.531 -1.822 1.00 0.00 C ATOM 1325 O VAL A1000 0.216 4.049 -1.017 1.00 0.00 O ATOM 1326 CB VAL A1000 0.182 1.231 -2.448 1.00 0.00 C ATOM 1327 CG1 VAL A1000 -1.111 0.664 -1.882 1.00 0.00 C ATOM 1328 CG2 VAL A1000 0.722 0.343 -3.559 1.00 0.00 C ATOM 0 H VAL A1000 1.880 3.508 -2.831 1.00 0.00 H new ATOM 0 HA VAL A1000 -0.772 2.647 -3.768 1.00 0.00 H new ATOM 0 HB VAL A1000 0.919 1.260 -1.645 1.00 0.00 H new ATOM 0 HG11 VAL A1000 -0.937 -0.350 -1.523 1.00 0.00 H new ATOM 0 HG12 VAL A1000 -1.451 1.288 -1.056 1.00 0.00 H new ATOM 0 HG13 VAL A1000 -1.873 0.647 -2.661 1.00 0.00 H new ATOM 0 HG21 VAL A1000 0.870 -0.667 -3.178 1.00 0.00 H new ATOM 0 HG22 VAL A1000 0.010 0.319 -4.384 1.00 0.00 H new ATOM 0 HG23 VAL A1000 1.673 0.741 -3.913 1.00 0.00 H new ATOM 1338 N LEU A1001 -1.876 3.683 -1.757 1.00 0.00 N ATOM 1339 CA LEU A1001 -2.504 4.485 -0.713 1.00 0.00 C ATOM 1340 C LEU A1001 -2.358 3.815 0.650 1.00 0.00 C ATOM 1341 O LEU A1001 -2.583 2.613 0.789 1.00 0.00 O ATOM 1342 CB LEU A1001 -3.984 4.704 -1.031 1.00 0.00 C ATOM 1343 CG LEU A1001 -4.313 5.931 -1.882 1.00 0.00 C ATOM 1344 CD1 LEU A1001 -5.768 5.900 -2.323 1.00 0.00 C ATOM 1345 CD2 LEU A1001 -4.013 7.210 -1.113 1.00 0.00 C ATOM 0 H LEU A1001 -2.531 3.261 -2.415 1.00 0.00 H new ATOM 0 HA LEU A1001 -2.000 5.451 -0.678 1.00 0.00 H new ATOM 0 HB2 LEU A1001 -4.359 3.819 -1.545 1.00 0.00 H new ATOM 0 HB3 LEU A1001 -4.529 4.782 -0.091 1.00 0.00 H new ATOM 0 HG LEU A1001 -3.685 5.911 -2.772 1.00 0.00 H new ATOM 0 HD11 LEU A1001 -5.984 6.781 -2.928 1.00 0.00 H new ATOM 0 HD12 LEU A1001 -5.950 5.002 -2.913 1.00 0.00 H new ATOM 0 HD13 LEU A1001 -6.414 5.895 -1.445 1.00 0.00 H new ATOM 0 HD21 LEU A1001 -4.253 8.073 -1.734 1.00 0.00 H new ATOM 0 HD22 LEU A1001 -4.615 7.238 -0.205 1.00 0.00 H new ATOM 0 HD23 LEU A1001 -2.956 7.236 -0.849 1.00 0.00 H new ATOM 1357 N GLY A1002 -1.983 4.602 1.654 1.00 0.00 N ATOM 1358 CA GLY A1002 -1.816 4.067 2.992 1.00 0.00 C ATOM 1359 C GLY A1002 -2.983 3.199 3.420 1.00 0.00 C ATOM 1360 O GLY A1002 -4.121 3.665 3.484 1.00 0.00 O ATOM 0 H GLY A1002 -1.792 5.600 1.564 1.00 0.00 H new ATOM 0 HA2 GLY A1002 -0.897 3.482 3.034 1.00 0.00 H new ATOM 0 HA3 GLY A1002 -1.702 4.890 3.697 1.00 0.00 H new