USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 508 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 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -159:sc= -0.0026 (180deg=-0.617) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 40:sc= 0.222 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0538) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0208) USER MOD Single : A 43 LYS NZ :NH3+ -171:sc=-0.00109 (180deg=-0.0903) USER MOD Single : A 44 SER OG : rot 83:sc= 0.118 USER MOD Single : A 46 LYS NZ :NH3+ -167:sc= -0.228 (180deg=-0.523) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 123 N MET A 9 18.887 -9.865 3.008 1.00 0.00 N ATOM 124 CA MET A 9 19.065 -11.240 2.501 1.00 0.00 C ATOM 125 C MET A 9 20.090 -12.007 3.362 1.00 0.00 C ATOM 126 O MET A 9 20.739 -11.429 4.243 1.00 0.00 O ATOM 127 CB MET A 9 19.547 -11.215 1.021 1.00 0.00 C ATOM 128 CG MET A 9 18.617 -10.489 0.044 1.00 0.00 C ATOM 129 SD MET A 9 19.113 -10.749 -1.675 1.00 0.00 S ATOM 130 CE MET A 9 17.878 -9.816 -2.571 1.00 0.00 C ATOM 0 HA MET A 9 18.102 -11.748 2.557 1.00 0.00 H new ATOM 0 HB2 MET A 9 20.528 -10.742 0.983 1.00 0.00 H new ATOM 0 HB3 MET A 9 19.675 -12.242 0.680 1.00 0.00 H new ATOM 0 HG2 MET A 9 17.595 -10.842 0.185 1.00 0.00 H new ATOM 0 HG3 MET A 9 18.619 -9.422 0.265 1.00 0.00 H new ATOM 0 HE1 MET A 9 18.069 -9.894 -3.641 1.00 0.00 H new ATOM 0 HE2 MET A 9 16.888 -10.215 -2.349 1.00 0.00 H new ATOM 0 HE3 MET A 9 17.923 -8.770 -2.269 1.00 0.00 H new ATOM 140 N TYR A 10 20.212 -13.317 3.108 1.00 0.00 N ATOM 141 CA TYR A 10 21.288 -14.152 3.673 1.00 0.00 C ATOM 142 C TYR A 10 22.357 -14.375 2.603 1.00 0.00 C ATOM 143 O TYR A 10 22.037 -14.732 1.462 1.00 0.00 O ATOM 144 CB TYR A 10 20.730 -15.497 4.199 1.00 0.00 C ATOM 145 CG TYR A 10 19.798 -15.313 5.398 1.00 0.00 C ATOM 146 CD1 TYR A 10 20.309 -15.194 6.694 1.00 0.00 C ATOM 147 CD2 TYR A 10 18.414 -15.206 5.234 1.00 0.00 C ATOM 148 CE1 TYR A 10 19.474 -14.985 7.776 1.00 0.00 C ATOM 149 CE2 TYR A 10 17.581 -14.986 6.311 1.00 0.00 C ATOM 150 CZ TYR A 10 18.113 -14.878 7.579 1.00 0.00 C ATOM 151 OH TYR A 10 17.281 -14.638 8.654 1.00 0.00 O ATOM 0 H TYR A 10 19.569 -13.830 2.505 1.00 0.00 H new ATOM 0 HA TYR A 10 21.736 -13.639 4.524 1.00 0.00 H new ATOM 0 HB2 TYR A 10 20.191 -16.002 3.397 1.00 0.00 H new ATOM 0 HB3 TYR A 10 21.559 -16.145 4.483 1.00 0.00 H new ATOM 0 HD1 TYR A 10 21.375 -15.267 6.853 1.00 0.00 H new ATOM 0 HD2 TYR A 10 17.989 -15.297 4.245 1.00 0.00 H new ATOM 0 HE1 TYR A 10 19.886 -14.906 8.771 1.00 0.00 H new ATOM 0 HE2 TYR A 10 16.515 -14.899 6.162 1.00 0.00 H new ATOM 0 HH TYR A 10 16.352 -14.589 8.345 1.00 0.00 H new ATOM 161 N VAL A 11 23.620 -14.128 2.973 1.00 0.00 N ATOM 162 CA VAL A 11 24.763 -14.234 2.060 1.00 0.00 C ATOM 163 C VAL A 11 25.356 -15.650 2.132 1.00 0.00 C ATOM 164 O VAL A 11 25.640 -16.155 3.216 1.00 0.00 O ATOM 165 CB VAL A 11 25.848 -13.147 2.391 1.00 0.00 C ATOM 166 CG1 VAL A 11 27.081 -13.251 1.458 1.00 0.00 C ATOM 167 CG2 VAL A 11 25.220 -11.731 2.336 1.00 0.00 C ATOM 0 H VAL A 11 23.878 -13.848 3.919 1.00 0.00 H new ATOM 0 HA VAL A 11 24.419 -14.052 1.042 1.00 0.00 H new ATOM 0 HB VAL A 11 26.206 -13.332 3.404 1.00 0.00 H new ATOM 0 HG11 VAL A 11 27.804 -12.480 1.724 1.00 0.00 H new ATOM 0 HG12 VAL A 11 27.540 -14.233 1.570 1.00 0.00 H new ATOM 0 HG13 VAL A 11 26.767 -13.113 0.423 1.00 0.00 H new ATOM 0 HG21 VAL A 11 25.981 -10.986 2.567 1.00 0.00 H new ATOM 0 HG22 VAL A 11 24.824 -11.547 1.337 1.00 0.00 H new ATOM 0 HG23 VAL A 11 24.412 -11.663 3.065 1.00 0.00 H new ATOM 177 N PHE A 12 25.478 -16.294 0.965 1.00 0.00 N ATOM 178 CA PHE A 12 26.053 -17.630 0.805 1.00 0.00 C ATOM 179 C PHE A 12 27.336 -17.528 -0.034 1.00 0.00 C ATOM 180 O PHE A 12 27.291 -17.085 -1.179 1.00 0.00 O ATOM 181 CB PHE A 12 25.028 -18.578 0.120 1.00 0.00 C ATOM 182 CG PHE A 12 23.734 -18.775 0.917 1.00 0.00 C ATOM 183 CD1 PHE A 12 22.663 -17.891 0.785 1.00 0.00 C ATOM 184 CD2 PHE A 12 23.595 -19.839 1.807 1.00 0.00 C ATOM 185 CE1 PHE A 12 21.499 -18.069 1.515 1.00 0.00 C ATOM 186 CE2 PHE A 12 22.429 -20.014 2.533 1.00 0.00 C ATOM 187 CZ PHE A 12 21.383 -19.130 2.388 1.00 0.00 C ATOM 0 H PHE A 12 25.170 -15.886 0.082 1.00 0.00 H new ATOM 0 HA PHE A 12 26.295 -18.043 1.784 1.00 0.00 H new ATOM 0 HB2 PHE A 12 24.780 -18.179 -0.863 1.00 0.00 H new ATOM 0 HB3 PHE A 12 25.496 -19.549 -0.039 1.00 0.00 H new ATOM 0 HD1 PHE A 12 22.742 -17.056 0.104 1.00 0.00 H new ATOM 0 HD2 PHE A 12 24.409 -20.537 1.932 1.00 0.00 H new ATOM 0 HE1 PHE A 12 20.680 -17.375 1.400 1.00 0.00 H new ATOM 0 HE2 PHE A 12 22.340 -20.846 3.215 1.00 0.00 H new ATOM 0 HZ PHE A 12 20.475 -19.267 2.956 1.00 0.00 H new ATOM 197 N LYS A 13 28.480 -17.914 0.548 1.00 0.00 N ATOM 198 CA LYS A 13 29.762 -17.953 -0.164 1.00 0.00 C ATOM 199 C LYS A 13 29.815 -19.223 -1.035 1.00 0.00 C ATOM 200 O LYS A 13 30.211 -20.297 -0.571 1.00 0.00 O ATOM 201 CB LYS A 13 30.944 -17.884 0.843 1.00 0.00 C ATOM 202 CG LYS A 13 32.333 -17.827 0.178 1.00 0.00 C ATOM 203 CD LYS A 13 33.493 -17.687 1.189 1.00 0.00 C ATOM 204 CE LYS A 13 34.867 -17.641 0.496 1.00 0.00 C ATOM 205 NZ LYS A 13 35.184 -18.911 -0.207 1.00 0.00 N ATOM 0 H LYS A 13 28.541 -18.207 1.523 1.00 0.00 H new ATOM 0 HA LYS A 13 29.853 -17.086 -0.818 1.00 0.00 H new ATOM 0 HB2 LYS A 13 30.819 -17.004 1.474 1.00 0.00 H new ATOM 0 HB3 LYS A 13 30.901 -18.755 1.497 1.00 0.00 H new ATOM 0 HG2 LYS A 13 32.482 -18.731 -0.412 1.00 0.00 H new ATOM 0 HG3 LYS A 13 32.361 -16.986 -0.515 1.00 0.00 H new ATOM 0 HD2 LYS A 13 33.354 -16.779 1.776 1.00 0.00 H new ATOM 0 HD3 LYS A 13 33.468 -18.524 1.886 1.00 0.00 H new ATOM 0 HE2 LYS A 13 34.884 -16.818 -0.219 1.00 0.00 H new ATOM 0 HE3 LYS A 13 35.639 -17.436 1.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 36.212 -18.983 -0.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 34.856 -19.715 0.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 34.707 -18.925 -1.131 1.00 0.00 H new ATOM 219 N GLY A 14 29.346 -19.089 -2.287 1.00 0.00 N ATOM 220 CA GLY A 14 29.232 -20.216 -3.198 1.00 0.00 C ATOM 221 C GLY A 14 28.092 -21.139 -2.787 1.00 0.00 C ATOM 222 O GLY A 14 26.933 -20.862 -3.112 1.00 0.00 O ATOM 0 H GLY A 14 29.040 -18.200 -2.683 1.00 0.00 H new ATOM 0 HA2 GLY A 14 29.063 -19.853 -4.212 1.00 0.00 H new ATOM 0 HA3 GLY A 14 30.169 -20.773 -3.211 1.00 0.00 H new ATOM 226 N GLU A 15 28.421 -22.209 -2.027 1.00 0.00 N ATOM 227 CA GLU A 15 27.443 -23.226 -1.565 1.00 0.00 C ATOM 228 C GLU A 15 27.399 -23.344 -0.024 1.00 0.00 C ATOM 229 O GLU A 15 26.680 -24.199 0.507 1.00 0.00 O ATOM 230 CB GLU A 15 27.761 -24.604 -2.213 1.00 0.00 C ATOM 231 CG GLU A 15 27.507 -24.673 -3.733 1.00 0.00 C ATOM 232 CD GLU A 15 26.024 -24.469 -4.105 1.00 0.00 C ATOM 233 OE1 GLU A 15 25.225 -25.415 -3.925 1.00 0.00 O ATOM 234 OE2 GLU A 15 25.646 -23.369 -4.568 1.00 0.00 O ATOM 0 H GLU A 15 29.374 -22.393 -1.715 1.00 0.00 H new ATOM 0 HA GLU A 15 26.454 -22.898 -1.884 1.00 0.00 H new ATOM 0 HB2 GLU A 15 28.806 -24.848 -2.021 1.00 0.00 H new ATOM 0 HB3 GLU A 15 27.159 -25.369 -1.722 1.00 0.00 H new ATOM 0 HG2 GLU A 15 28.109 -23.913 -4.231 1.00 0.00 H new ATOM 0 HG3 GLU A 15 27.840 -25.641 -4.108 1.00 0.00 H new ATOM 241 N GLU A 16 28.150 -22.489 0.691 1.00 0.00 N ATOM 242 CA GLU A 16 28.133 -22.444 2.176 1.00 0.00 C ATOM 243 C GLU A 16 27.499 -21.130 2.646 1.00 0.00 C ATOM 244 O GLU A 16 27.633 -20.107 1.975 1.00 0.00 O ATOM 245 CB GLU A 16 29.574 -22.593 2.754 1.00 0.00 C ATOM 246 CG GLU A 16 30.558 -21.462 2.375 1.00 0.00 C ATOM 247 CD GLU A 16 32.021 -21.788 2.718 1.00 0.00 C ATOM 248 OE1 GLU A 16 32.643 -22.590 1.982 1.00 0.00 O ATOM 249 OE2 GLU A 16 32.562 -21.243 3.703 1.00 0.00 O ATOM 0 H GLU A 16 28.784 -21.812 0.267 1.00 0.00 H new ATOM 0 HA GLU A 16 27.537 -23.279 2.544 1.00 0.00 H new ATOM 0 HB2 GLU A 16 29.508 -22.646 3.841 1.00 0.00 H new ATOM 0 HB3 GLU A 16 29.988 -23.542 2.413 1.00 0.00 H new ATOM 0 HG2 GLU A 16 30.478 -21.264 1.306 1.00 0.00 H new ATOM 0 HG3 GLU A 16 30.266 -20.548 2.892 1.00 0.00 H new ATOM 256 N SER A 17 26.805 -21.169 3.794 1.00 0.00 N ATOM 257 CA SER A 17 26.202 -19.978 4.402 1.00 0.00 C ATOM 258 C SER A 17 27.318 -19.102 4.997 1.00 0.00 C ATOM 259 O SER A 17 27.956 -19.489 5.978 1.00 0.00 O ATOM 260 CB SER A 17 25.170 -20.385 5.486 1.00 0.00 C ATOM 261 OG SER A 17 24.472 -19.260 6.005 1.00 0.00 O ATOM 0 H SER A 17 26.648 -22.026 4.324 1.00 0.00 H new ATOM 0 HA SER A 17 25.669 -19.406 3.642 1.00 0.00 H new ATOM 0 HB2 SER A 17 24.456 -21.090 5.060 1.00 0.00 H new ATOM 0 HB3 SER A 17 25.682 -20.901 6.299 1.00 0.00 H new ATOM 0 HG SER A 17 23.830 -19.558 6.683 1.00 0.00 H new ATOM 267 N PHE A 18 27.579 -17.953 4.355 1.00 0.00 N ATOM 268 CA PHE A 18 28.636 -17.017 4.769 1.00 0.00 C ATOM 269 C PHE A 18 28.163 -16.177 5.973 1.00 0.00 C ATOM 270 O PHE A 18 28.860 -16.073 6.987 1.00 0.00 O ATOM 271 CB PHE A 18 29.013 -16.114 3.566 1.00 0.00 C ATOM 272 CG PHE A 18 30.150 -15.131 3.824 1.00 0.00 C ATOM 273 CD1 PHE A 18 31.426 -15.584 4.145 1.00 0.00 C ATOM 274 CD2 PHE A 18 29.943 -13.755 3.751 1.00 0.00 C ATOM 275 CE1 PHE A 18 32.454 -14.692 4.383 1.00 0.00 C ATOM 276 CE2 PHE A 18 30.970 -12.869 3.987 1.00 0.00 C ATOM 277 CZ PHE A 18 32.222 -13.335 4.306 1.00 0.00 C ATOM 0 H PHE A 18 27.061 -17.646 3.532 1.00 0.00 H new ATOM 0 HA PHE A 18 29.520 -17.572 5.082 1.00 0.00 H new ATOM 0 HB2 PHE A 18 29.289 -16.751 2.726 1.00 0.00 H new ATOM 0 HB3 PHE A 18 28.130 -15.552 3.263 1.00 0.00 H new ATOM 0 HD1 PHE A 18 31.615 -16.645 4.209 1.00 0.00 H new ATOM 0 HD2 PHE A 18 28.961 -13.378 3.505 1.00 0.00 H new ATOM 0 HE1 PHE A 18 33.440 -15.058 4.629 1.00 0.00 H new ATOM 0 HE2 PHE A 18 30.791 -11.806 3.921 1.00 0.00 H new ATOM 0 HZ PHE A 18 33.025 -12.638 4.497 1.00 0.00 H new ATOM 287 N GLY A 19 26.956 -15.606 5.839 1.00 0.00 N ATOM 288 CA GLY A 19 26.362 -14.761 6.870 1.00 0.00 C ATOM 289 C GLY A 19 25.035 -14.170 6.412 1.00 0.00 C ATOM 290 O GLY A 19 24.219 -14.860 5.789 1.00 0.00 O ATOM 0 H GLY A 19 26.370 -15.721 5.012 1.00 0.00 H new ATOM 0 HA2 GLY A 19 26.207 -15.346 7.777 1.00 0.00 H new ATOM 0 HA3 GLY A 19 27.052 -13.956 7.124 1.00 0.00 H new ATOM 294 N GLU A 20 24.839 -12.877 6.693 1.00 0.00 N ATOM 295 CA GLU A 20 23.608 -12.137 6.365 1.00 0.00 C ATOM 296 C GLU A 20 23.971 -10.702 5.928 1.00 0.00 C ATOM 297 O GLU A 20 24.849 -10.075 6.532 1.00 0.00 O ATOM 298 CB GLU A 20 22.669 -12.124 7.613 1.00 0.00 C ATOM 299 CG GLU A 20 23.330 -11.536 8.884 1.00 0.00 C ATOM 300 CD GLU A 20 22.442 -11.562 10.135 1.00 0.00 C ATOM 301 OE1 GLU A 20 21.454 -10.806 10.183 1.00 0.00 O ATOM 302 OE2 GLU A 20 22.732 -12.332 11.077 1.00 0.00 O ATOM 0 H GLU A 20 25.540 -12.303 7.162 1.00 0.00 H new ATOM 0 HA GLU A 20 23.085 -12.623 5.542 1.00 0.00 H new ATOM 0 HB2 GLU A 20 21.776 -11.545 7.378 1.00 0.00 H new ATOM 0 HB3 GLU A 20 22.343 -13.143 7.822 1.00 0.00 H new ATOM 0 HG2 GLU A 20 24.245 -12.091 9.092 1.00 0.00 H new ATOM 0 HG3 GLU A 20 23.621 -10.505 8.683 1.00 0.00 H new ATOM 309 N SER A 21 23.326 -10.199 4.859 1.00 0.00 N ATOM 310 CA SER A 21 23.518 -8.813 4.403 1.00 0.00 C ATOM 311 C SER A 21 22.847 -7.857 5.410 1.00 0.00 C ATOM 312 O SER A 21 21.613 -7.791 5.493 1.00 0.00 O ATOM 313 CB SER A 21 22.948 -8.631 2.970 1.00 0.00 C ATOM 314 OG SER A 21 21.585 -8.992 2.898 1.00 0.00 O ATOM 0 H SER A 21 22.666 -10.735 4.295 1.00 0.00 H new ATOM 0 HA SER A 21 24.582 -8.580 4.357 1.00 0.00 H new ATOM 0 HB2 SER A 21 23.066 -7.592 2.661 1.00 0.00 H new ATOM 0 HB3 SER A 21 23.522 -9.238 2.271 1.00 0.00 H new ATOM 0 HG SER A 21 21.121 -8.680 3.703 1.00 0.00 H new ATOM 320 N ILE A 22 23.677 -7.155 6.200 1.00 0.00 N ATOM 321 CA ILE A 22 23.203 -6.258 7.270 1.00 0.00 C ATOM 322 C ILE A 22 23.061 -4.823 6.720 1.00 0.00 C ATOM 323 O ILE A 22 22.072 -4.138 7.021 1.00 0.00 O ATOM 324 CB ILE A 22 24.153 -6.347 8.546 1.00 0.00 C ATOM 325 CG1 ILE A 22 23.619 -5.541 9.797 1.00 0.00 C ATOM 326 CG2 ILE A 22 25.605 -5.957 8.206 1.00 0.00 C ATOM 327 CD1 ILE A 22 23.969 -4.054 9.858 1.00 0.00 C ATOM 0 H ILE A 22 24.693 -7.192 6.116 1.00 0.00 H new ATOM 0 HA ILE A 22 22.216 -6.576 7.606 1.00 0.00 H new ATOM 0 HB ILE A 22 24.143 -7.396 8.841 1.00 0.00 H new ATOM 0 HG12 ILE A 22 22.534 -5.636 9.825 1.00 0.00 H new ATOM 0 HG13 ILE A 22 24.004 -6.018 10.698 1.00 0.00 H new ATOM 0 HG21 ILE A 22 26.221 -6.031 9.102 1.00 0.00 H new ATOM 0 HG22 ILE A 22 25.993 -6.631 7.442 1.00 0.00 H new ATOM 0 HG23 ILE A 22 25.629 -4.933 7.832 1.00 0.00 H new ATOM 0 HD11 ILE A 22 23.545 -3.617 10.762 1.00 0.00 H new ATOM 0 HD12 ILE A 22 25.052 -3.935 9.871 1.00 0.00 H new ATOM 0 HD13 ILE A 22 23.559 -3.548 8.984 1.00 0.00 H new ATOM 339 N ASP A 23 24.029 -4.392 5.876 1.00 0.00 N ATOM 340 CA ASP A 23 24.055 -3.017 5.336 1.00 0.00 C ATOM 341 C ASP A 23 24.934 -2.939 4.067 1.00 0.00 C ATOM 342 O ASP A 23 25.625 -3.900 3.731 1.00 0.00 O ATOM 343 CB ASP A 23 24.557 -2.037 6.441 1.00 0.00 C ATOM 344 CG ASP A 23 24.338 -0.552 6.101 1.00 0.00 C ATOM 345 OD1 ASP A 23 23.169 -0.108 6.075 1.00 0.00 O ATOM 346 OD2 ASP A 23 25.318 0.179 5.867 1.00 0.00 O ATOM 0 H ASP A 23 24.800 -4.978 5.556 1.00 0.00 H new ATOM 0 HA ASP A 23 23.046 -2.726 5.044 1.00 0.00 H new ATOM 0 HB2 ASP A 23 24.045 -2.265 7.376 1.00 0.00 H new ATOM 0 HB3 ASP A 23 25.620 -2.208 6.610 1.00 0.00 H new ATOM 351 N VAL A 24 24.862 -1.802 3.343 1.00 0.00 N ATOM 352 CA VAL A 24 25.737 -1.499 2.188 1.00 0.00 C ATOM 353 C VAL A 24 26.619 -0.282 2.529 1.00 0.00 C ATOM 354 O VAL A 24 26.148 0.676 3.139 1.00 0.00 O ATOM 355 CB VAL A 24 24.909 -1.201 0.874 1.00 0.00 C ATOM 356 CG1 VAL A 24 25.841 -0.916 -0.341 1.00 0.00 C ATOM 357 CG2 VAL A 24 23.923 -2.352 0.559 1.00 0.00 C ATOM 0 H VAL A 24 24.190 -1.062 3.544 1.00 0.00 H new ATOM 0 HA VAL A 24 26.353 -2.377 1.994 1.00 0.00 H new ATOM 0 HB VAL A 24 24.325 -0.299 1.058 1.00 0.00 H new ATOM 0 HG11 VAL A 24 25.235 -0.716 -1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 24 26.466 -0.049 -0.125 1.00 0.00 H new ATOM 0 HG13 VAL A 24 26.475 -1.783 -0.524 1.00 0.00 H new ATOM 0 HG21 VAL A 24 23.369 -2.118 -0.350 1.00 0.00 H new ATOM 0 HG22 VAL A 24 24.479 -3.279 0.416 1.00 0.00 H new ATOM 0 HG23 VAL A 24 23.226 -2.471 1.389 1.00 0.00 H new ATOM 367 N TYR A 25 27.879 -0.324 2.097 1.00 0.00 N ATOM 368 CA TYR A 25 28.878 0.724 2.345 1.00 0.00 C ATOM 369 C TYR A 25 29.694 0.932 1.056 1.00 0.00 C ATOM 370 O TYR A 25 30.636 0.174 0.770 1.00 0.00 O ATOM 371 CB TYR A 25 29.764 0.288 3.537 1.00 0.00 C ATOM 372 CG TYR A 25 30.981 1.160 3.856 1.00 0.00 C ATOM 373 CD1 TYR A 25 30.856 2.529 4.090 1.00 0.00 C ATOM 374 CD2 TYR A 25 32.261 0.598 3.949 1.00 0.00 C ATOM 375 CE1 TYR A 25 31.961 3.308 4.394 1.00 0.00 C ATOM 376 CE2 TYR A 25 33.365 1.371 4.252 1.00 0.00 C ATOM 377 CZ TYR A 25 33.210 2.725 4.474 1.00 0.00 C ATOM 378 OH TYR A 25 34.309 3.502 4.763 1.00 0.00 O ATOM 0 H TYR A 25 28.245 -1.104 1.552 1.00 0.00 H new ATOM 0 HA TYR A 25 28.412 1.674 2.606 1.00 0.00 H new ATOM 0 HB2 TYR A 25 29.136 0.244 4.427 1.00 0.00 H new ATOM 0 HB3 TYR A 25 30.115 -0.726 3.345 1.00 0.00 H new ATOM 0 HD1 TYR A 25 29.881 2.990 4.033 1.00 0.00 H new ATOM 0 HD2 TYR A 25 32.387 -0.461 3.780 1.00 0.00 H new ATOM 0 HE1 TYR A 25 31.846 4.368 4.568 1.00 0.00 H new ATOM 0 HE2 TYR A 25 34.344 0.919 4.315 1.00 0.00 H new ATOM 0 HH TYR A 25 35.111 2.939 4.784 1.00 0.00 H new ATOM 388 N GLY A 26 29.294 1.958 0.284 1.00 0.00 N ATOM 389 CA GLY A 26 29.902 2.270 -1.007 1.00 0.00 C ATOM 390 C GLY A 26 29.741 1.140 -2.026 1.00 0.00 C ATOM 391 O GLY A 26 28.629 0.867 -2.490 1.00 0.00 O ATOM 0 H GLY A 26 28.538 2.591 0.545 1.00 0.00 H new ATOM 0 HA2 GLY A 26 29.452 3.179 -1.405 1.00 0.00 H new ATOM 0 HA3 GLY A 26 30.963 2.476 -0.864 1.00 0.00 H new ATOM 395 N ASP A 27 30.860 0.462 -2.330 1.00 0.00 N ATOM 396 CA ASP A 27 30.915 -0.661 -3.297 1.00 0.00 C ATOM 397 C ASP A 27 31.090 -1.997 -2.556 1.00 0.00 C ATOM 398 O ASP A 27 31.465 -3.007 -3.159 1.00 0.00 O ATOM 399 CB ASP A 27 32.098 -0.452 -4.287 1.00 0.00 C ATOM 400 CG ASP A 27 31.930 0.789 -5.177 1.00 0.00 C ATOM 401 OD1 ASP A 27 32.264 1.905 -4.726 1.00 0.00 O ATOM 402 OD2 ASP A 27 31.469 0.657 -6.337 1.00 0.00 O ATOM 0 H ASP A 27 31.765 0.676 -1.910 1.00 0.00 H new ATOM 0 HA ASP A 27 29.979 -0.686 -3.854 1.00 0.00 H new ATOM 0 HB2 ASP A 27 33.025 -0.363 -3.721 1.00 0.00 H new ATOM 0 HB3 ASP A 27 32.194 -1.334 -4.919 1.00 0.00 H new ATOM 407 N TYR A 28 30.817 -1.997 -1.246 1.00 0.00 N ATOM 408 CA TYR A 28 31.037 -3.158 -0.373 1.00 0.00 C ATOM 409 C TYR A 28 29.762 -3.473 0.403 1.00 0.00 C ATOM 410 O TYR A 28 29.285 -2.650 1.187 1.00 0.00 O ATOM 411 CB TYR A 28 32.206 -2.874 0.608 1.00 0.00 C ATOM 412 CG TYR A 28 33.550 -2.617 -0.091 1.00 0.00 C ATOM 413 CD1 TYR A 28 33.926 -1.332 -0.497 1.00 0.00 C ATOM 414 CD2 TYR A 28 34.435 -3.666 -0.350 1.00 0.00 C ATOM 415 CE1 TYR A 28 35.129 -1.111 -1.130 1.00 0.00 C ATOM 416 CE2 TYR A 28 35.638 -3.443 -0.981 1.00 0.00 C ATOM 417 CZ TYR A 28 35.979 -2.166 -1.367 1.00 0.00 C ATOM 418 OH TYR A 28 37.181 -1.940 -1.994 1.00 0.00 O ATOM 0 H TYR A 28 30.435 -1.187 -0.758 1.00 0.00 H new ATOM 0 HA TYR A 28 31.298 -4.020 -0.987 1.00 0.00 H new ATOM 0 HB2 TYR A 28 31.953 -2.008 1.220 1.00 0.00 H new ATOM 0 HB3 TYR A 28 32.315 -3.721 1.285 1.00 0.00 H new ATOM 0 HD1 TYR A 28 33.262 -0.500 -0.311 1.00 0.00 H new ATOM 0 HD2 TYR A 28 34.171 -4.669 -0.050 1.00 0.00 H new ATOM 0 HE1 TYR A 28 35.404 -0.113 -1.439 1.00 0.00 H new ATOM 0 HE2 TYR A 28 36.311 -4.266 -1.172 1.00 0.00 H new ATOM 0 HH TYR A 28 37.666 -2.787 -2.086 1.00 0.00 H new ATOM 428 N LEU A 29 29.214 -4.667 0.175 1.00 0.00 N ATOM 429 CA LEU A 29 28.089 -5.185 0.943 1.00 0.00 C ATOM 430 C LEU A 29 28.614 -5.666 2.309 1.00 0.00 C ATOM 431 O LEU A 29 29.390 -6.633 2.381 1.00 0.00 O ATOM 432 CB LEU A 29 27.403 -6.351 0.177 1.00 0.00 C ATOM 433 CG LEU A 29 26.177 -7.004 0.894 1.00 0.00 C ATOM 434 CD1 LEU A 29 25.027 -5.989 1.083 1.00 0.00 C ATOM 435 CD2 LEU A 29 25.694 -8.263 0.140 1.00 0.00 C ATOM 0 H LEU A 29 29.542 -5.303 -0.552 1.00 0.00 H new ATOM 0 HA LEU A 29 27.345 -4.402 1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 29 27.077 -5.981 -0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 29 28.147 -7.126 -0.010 1.00 0.00 H new ATOM 0 HG LEU A 29 26.505 -7.316 1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 29 24.191 -6.476 1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 29 25.376 -5.152 1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 29 24.702 -5.622 0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 29 24.841 -8.695 0.663 1.00 0.00 H new ATOM 0 HD22 LEU A 29 25.399 -7.990 -0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 29 26.501 -8.994 0.098 1.00 0.00 H new ATOM 447 N ILE A 30 28.232 -4.938 3.368 1.00 0.00 N ATOM 448 CA ILE A 30 28.573 -5.294 4.748 1.00 0.00 C ATOM 449 C ILE A 30 27.764 -6.536 5.144 1.00 0.00 C ATOM 450 O ILE A 30 26.521 -6.488 5.212 1.00 0.00 O ATOM 451 CB ILE A 30 28.275 -4.120 5.761 1.00 0.00 C ATOM 452 CG1 ILE A 30 28.900 -2.780 5.271 1.00 0.00 C ATOM 453 CG2 ILE A 30 28.794 -4.467 7.177 1.00 0.00 C ATOM 454 CD1 ILE A 30 30.416 -2.793 5.177 1.00 0.00 C ATOM 0 H ILE A 30 27.678 -4.086 3.289 1.00 0.00 H new ATOM 0 HA ILE A 30 29.644 -5.494 4.795 1.00 0.00 H new ATOM 0 HB ILE A 30 27.193 -3.994 5.809 1.00 0.00 H new ATOM 0 HG12 ILE A 30 28.489 -2.538 4.291 1.00 0.00 H new ATOM 0 HG13 ILE A 30 28.597 -1.982 5.949 1.00 0.00 H new ATOM 0 HG21 ILE A 30 28.577 -3.643 7.856 1.00 0.00 H new ATOM 0 HG22 ILE A 30 28.301 -5.371 7.534 1.00 0.00 H new ATOM 0 HG23 ILE A 30 29.871 -4.632 7.140 1.00 0.00 H new ATOM 0 HD11 ILE A 30 30.767 -1.822 4.828 1.00 0.00 H new ATOM 0 HD12 ILE A 30 30.840 -3.001 6.160 1.00 0.00 H new ATOM 0 HD13 ILE A 30 30.730 -3.566 4.475 1.00 0.00 H new ATOM 466 N VAL A 31 28.472 -7.649 5.348 1.00 0.00 N ATOM 467 CA VAL A 31 27.870 -8.918 5.744 1.00 0.00 C ATOM 468 C VAL A 31 28.202 -9.201 7.211 1.00 0.00 C ATOM 469 O VAL A 31 29.382 -9.291 7.583 1.00 0.00 O ATOM 470 CB VAL A 31 28.373 -10.108 4.845 1.00 0.00 C ATOM 471 CG1 VAL A 31 27.637 -11.424 5.198 1.00 0.00 C ATOM 472 CG2 VAL A 31 28.247 -9.762 3.344 1.00 0.00 C ATOM 0 H VAL A 31 29.486 -7.692 5.242 1.00 0.00 H new ATOM 0 HA VAL A 31 26.791 -8.837 5.612 1.00 0.00 H new ATOM 0 HB VAL A 31 29.431 -10.265 5.053 1.00 0.00 H new ATOM 0 HG11 VAL A 31 28.005 -12.229 4.561 1.00 0.00 H new ATOM 0 HG12 VAL A 31 27.821 -11.675 6.243 1.00 0.00 H new ATOM 0 HG13 VAL A 31 26.566 -11.296 5.039 1.00 0.00 H new ATOM 0 HG21 VAL A 31 28.601 -10.602 2.746 1.00 0.00 H new ATOM 0 HG22 VAL A 31 27.203 -9.560 3.103 1.00 0.00 H new ATOM 0 HG23 VAL A 31 28.847 -8.880 3.122 1.00 0.00 H new ATOM 482 N LYS A 32 27.155 -9.324 8.039 1.00 0.00 N ATOM 483 CA LYS A 32 27.290 -9.753 9.433 1.00 0.00 C ATOM 484 C LYS A 32 27.554 -11.272 9.401 1.00 0.00 C ATOM 485 O LYS A 32 26.684 -12.051 9.016 1.00 0.00 O ATOM 486 CB LYS A 32 25.996 -9.398 10.242 1.00 0.00 C ATOM 487 CG LYS A 32 26.148 -9.283 11.788 1.00 0.00 C ATOM 488 CD LYS A 32 26.583 -10.587 12.493 1.00 0.00 C ATOM 489 CE LYS A 32 26.623 -10.441 14.028 1.00 0.00 C ATOM 490 NZ LYS A 32 25.269 -10.267 14.607 1.00 0.00 N ATOM 0 H LYS A 32 26.194 -9.129 7.759 1.00 0.00 H new ATOM 0 HA LYS A 32 28.111 -9.241 9.935 1.00 0.00 H new ATOM 0 HB2 LYS A 32 25.609 -8.451 9.867 1.00 0.00 H new ATOM 0 HB3 LYS A 32 25.243 -10.157 10.029 1.00 0.00 H new ATOM 0 HG2 LYS A 32 26.878 -8.505 12.011 1.00 0.00 H new ATOM 0 HG3 LYS A 32 25.197 -8.958 12.210 1.00 0.00 H new ATOM 0 HD2 LYS A 32 25.895 -11.389 12.225 1.00 0.00 H new ATOM 0 HD3 LYS A 32 27.569 -10.880 12.133 1.00 0.00 H new ATOM 0 HE2 LYS A 32 27.092 -11.323 14.464 1.00 0.00 H new ATOM 0 HE3 LYS A 32 27.243 -9.585 14.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 25.327 -10.309 15.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 24.884 -9.345 14.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 24.645 -11.025 14.265 1.00 0.00 H new ATOM 504 N VAL A 33 28.787 -11.651 9.735 1.00 0.00 N ATOM 505 CA VAL A 33 29.253 -13.041 9.757 1.00 0.00 C ATOM 506 C VAL A 33 29.490 -13.514 11.210 1.00 0.00 C ATOM 507 O VAL A 33 30.579 -13.344 11.786 1.00 0.00 O ATOM 508 CB VAL A 33 30.545 -13.203 8.861 1.00 0.00 C ATOM 509 CG1 VAL A 33 30.181 -13.066 7.371 1.00 0.00 C ATOM 510 CG2 VAL A 33 31.648 -12.174 9.235 1.00 0.00 C ATOM 0 H VAL A 33 29.510 -10.984 10.005 1.00 0.00 H new ATOM 0 HA VAL A 33 28.479 -13.681 9.333 1.00 0.00 H new ATOM 0 HB VAL A 33 30.946 -14.199 9.048 1.00 0.00 H new ATOM 0 HG11 VAL A 33 31.080 -13.180 6.765 1.00 0.00 H new ATOM 0 HG12 VAL A 33 29.461 -13.838 7.100 1.00 0.00 H new ATOM 0 HG13 VAL A 33 29.744 -12.083 7.192 1.00 0.00 H new ATOM 0 HG21 VAL A 33 32.517 -12.323 8.594 1.00 0.00 H new ATOM 0 HG22 VAL A 33 31.264 -11.163 9.097 1.00 0.00 H new ATOM 0 HG23 VAL A 33 31.938 -12.314 10.276 1.00 0.00 H new ATOM 520 N GLY A 34 28.426 -14.066 11.816 1.00 0.00 N ATOM 521 CA GLY A 34 28.505 -14.665 13.150 1.00 0.00 C ATOM 522 C GLY A 34 28.534 -13.634 14.271 1.00 0.00 C ATOM 523 O GLY A 34 27.533 -13.426 14.955 1.00 0.00 O ATOM 0 H GLY A 34 27.497 -14.108 11.396 1.00 0.00 H new ATOM 0 HA2 GLY A 34 27.651 -15.326 13.295 1.00 0.00 H new ATOM 0 HA3 GLY A 34 29.400 -15.283 13.211 1.00 0.00 H new ATOM 527 N THR A 35 29.701 -12.992 14.451 1.00 0.00 N ATOM 528 CA THR A 35 29.931 -11.970 15.486 1.00 0.00 C ATOM 529 C THR A 35 30.454 -10.655 14.856 1.00 0.00 C ATOM 530 O THR A 35 30.172 -9.567 15.368 1.00 0.00 O ATOM 531 CB THR A 35 30.944 -12.497 16.567 1.00 0.00 C ATOM 532 OG1 THR A 35 30.553 -13.818 16.981 1.00 0.00 O ATOM 533 CG2 THR A 35 31.017 -11.587 17.810 1.00 0.00 C ATOM 0 H THR A 35 30.522 -13.171 13.873 1.00 0.00 H new ATOM 0 HA THR A 35 28.978 -11.762 15.973 1.00 0.00 H new ATOM 0 HB THR A 35 31.931 -12.505 16.105 1.00 0.00 H new ATOM 0 HG1 THR A 35 31.184 -14.150 17.654 1.00 0.00 H new ATOM 0 HG21 THR A 35 31.732 -12.000 18.522 1.00 0.00 H new ATOM 0 HG22 THR A 35 31.338 -10.589 17.512 1.00 0.00 H new ATOM 0 HG23 THR A 35 30.033 -11.528 18.276 1.00 0.00 H new ATOM 541 N GLU A 36 31.182 -10.749 13.716 1.00 0.00 N ATOM 542 CA GLU A 36 31.877 -9.573 13.114 1.00 0.00 C ATOM 543 C GLU A 36 31.194 -9.158 11.790 1.00 0.00 C ATOM 544 O GLU A 36 30.320 -9.866 11.298 1.00 0.00 O ATOM 545 CB GLU A 36 33.392 -9.901 12.895 1.00 0.00 C ATOM 546 CG GLU A 36 34.276 -8.670 12.590 1.00 0.00 C ATOM 547 CD GLU A 36 35.775 -8.992 12.449 1.00 0.00 C ATOM 548 OE1 GLU A 36 36.226 -9.301 11.331 1.00 0.00 O ATOM 549 OE2 GLU A 36 36.508 -8.922 13.460 1.00 0.00 O ATOM 0 H GLU A 36 31.306 -11.617 13.195 1.00 0.00 H new ATOM 0 HA GLU A 36 31.807 -8.729 13.800 1.00 0.00 H new ATOM 0 HB2 GLU A 36 33.776 -10.397 13.787 1.00 0.00 H new ATOM 0 HB3 GLU A 36 33.482 -10.610 12.072 1.00 0.00 H new ATOM 0 HG2 GLU A 36 33.927 -8.205 11.668 1.00 0.00 H new ATOM 0 HG3 GLU A 36 34.146 -7.937 13.386 1.00 0.00 H new ATOM 556 N PHE A 37 31.566 -7.979 11.256 1.00 0.00 N ATOM 557 CA PHE A 37 31.057 -7.453 9.975 1.00 0.00 C ATOM 558 C PHE A 37 32.204 -7.410 8.945 1.00 0.00 C ATOM 559 O PHE A 37 33.126 -6.600 9.086 1.00 0.00 O ATOM 560 CB PHE A 37 30.494 -6.019 10.176 1.00 0.00 C ATOM 561 CG PHE A 37 29.413 -5.882 11.250 1.00 0.00 C ATOM 562 CD1 PHE A 37 29.750 -5.667 12.589 1.00 0.00 C ATOM 563 CD2 PHE A 37 28.063 -5.947 10.920 1.00 0.00 C ATOM 564 CE1 PHE A 37 28.771 -5.528 13.556 1.00 0.00 C ATOM 565 CE2 PHE A 37 27.086 -5.804 11.886 1.00 0.00 C ATOM 566 CZ PHE A 37 27.438 -5.595 13.202 1.00 0.00 C ATOM 0 H PHE A 37 32.237 -7.357 11.708 1.00 0.00 H new ATOM 0 HA PHE A 37 30.261 -8.104 9.614 1.00 0.00 H new ATOM 0 HB2 PHE A 37 31.320 -5.355 10.430 1.00 0.00 H new ATOM 0 HB3 PHE A 37 30.085 -5.671 9.227 1.00 0.00 H new ATOM 0 HD1 PHE A 37 30.790 -5.609 12.873 1.00 0.00 H new ATOM 0 HD2 PHE A 37 27.774 -6.112 9.892 1.00 0.00 H new ATOM 0 HE1 PHE A 37 29.049 -5.367 14.587 1.00 0.00 H new ATOM 0 HE2 PHE A 37 26.043 -5.856 11.609 1.00 0.00 H new ATOM 0 HZ PHE A 37 26.672 -5.484 13.955 1.00 0.00 H new ATOM 576 N LEU A 38 32.149 -8.279 7.922 1.00 0.00 N ATOM 577 CA LEU A 38 33.143 -8.304 6.830 1.00 0.00 C ATOM 578 C LEU A 38 32.513 -7.748 5.547 1.00 0.00 C ATOM 579 O LEU A 38 31.463 -8.221 5.095 1.00 0.00 O ATOM 580 CB LEU A 38 33.697 -9.739 6.619 1.00 0.00 C ATOM 581 CG LEU A 38 34.574 -10.279 7.795 1.00 0.00 C ATOM 582 CD1 LEU A 38 34.996 -11.744 7.567 1.00 0.00 C ATOM 583 CD2 LEU A 38 35.809 -9.376 8.033 1.00 0.00 C ATOM 0 H LEU A 38 31.417 -8.983 7.826 1.00 0.00 H new ATOM 0 HA LEU A 38 33.988 -7.671 7.101 1.00 0.00 H new ATOM 0 HB2 LEU A 38 32.859 -10.419 6.467 1.00 0.00 H new ATOM 0 HB3 LEU A 38 34.290 -9.754 5.705 1.00 0.00 H new ATOM 0 HG LEU A 38 33.959 -10.253 8.695 1.00 0.00 H new ATOM 0 HD11 LEU A 38 35.604 -12.082 8.406 1.00 0.00 H new ATOM 0 HD12 LEU A 38 34.108 -12.370 7.487 1.00 0.00 H new ATOM 0 HD13 LEU A 38 35.575 -11.817 6.647 1.00 0.00 H new ATOM 0 HD21 LEU A 38 36.400 -9.777 8.857 1.00 0.00 H new ATOM 0 HD22 LEU A 38 36.418 -9.348 7.130 1.00 0.00 H new ATOM 0 HD23 LEU A 38 35.480 -8.367 8.280 1.00 0.00 H new ATOM 595 N ALA A 39 33.174 -6.726 4.986 1.00 0.00 N ATOM 596 CA ALA A 39 32.689 -5.971 3.827 1.00 0.00 C ATOM 597 C ALA A 39 33.169 -6.607 2.516 1.00 0.00 C ATOM 598 O ALA A 39 34.324 -6.419 2.109 1.00 0.00 O ATOM 599 CB ALA A 39 33.171 -4.519 3.932 1.00 0.00 C ATOM 0 H ALA A 39 34.075 -6.397 5.332 1.00 0.00 H new ATOM 0 HA ALA A 39 31.599 -5.991 3.822 1.00 0.00 H new ATOM 0 HB1 ALA A 39 32.813 -3.954 3.072 1.00 0.00 H new ATOM 0 HB2 ALA A 39 32.783 -4.072 4.847 1.00 0.00 H new ATOM 0 HB3 ALA A 39 34.261 -4.498 3.952 1.00 0.00 H new ATOM 605 N VAL A 40 32.287 -7.385 1.875 1.00 0.00 N ATOM 606 CA VAL A 40 32.592 -8.048 0.597 1.00 0.00 C ATOM 607 C VAL A 40 32.281 -7.081 -0.577 1.00 0.00 C ATOM 608 O VAL A 40 31.201 -6.481 -0.604 1.00 0.00 O ATOM 609 CB VAL A 40 31.812 -9.420 0.452 1.00 0.00 C ATOM 610 CG1 VAL A 40 32.141 -10.342 1.647 1.00 0.00 C ATOM 611 CG2 VAL A 40 30.280 -9.230 0.306 1.00 0.00 C ATOM 0 H VAL A 40 31.347 -7.573 2.224 1.00 0.00 H new ATOM 0 HA VAL A 40 33.654 -8.293 0.573 1.00 0.00 H new ATOM 0 HB VAL A 40 32.151 -9.889 -0.472 1.00 0.00 H new ATOM 0 HG11 VAL A 40 31.601 -11.283 1.540 1.00 0.00 H new ATOM 0 HG12 VAL A 40 33.213 -10.539 1.670 1.00 0.00 H new ATOM 0 HG13 VAL A 40 31.842 -9.855 2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 40 29.800 -10.204 0.211 1.00 0.00 H new ATOM 0 HG22 VAL A 40 29.891 -8.719 1.187 1.00 0.00 H new ATOM 0 HG23 VAL A 40 30.070 -8.634 -0.582 1.00 0.00 H new ATOM 621 N PRO A 41 33.236 -6.864 -1.542 1.00 0.00 N ATOM 622 CA PRO A 41 33.002 -5.970 -2.706 1.00 0.00 C ATOM 623 C PRO A 41 31.915 -6.526 -3.648 1.00 0.00 C ATOM 624 O PRO A 41 31.640 -7.726 -3.640 1.00 0.00 O ATOM 625 CB PRO A 41 34.392 -5.899 -3.389 1.00 0.00 C ATOM 626 CG PRO A 41 35.086 -7.161 -2.980 1.00 0.00 C ATOM 627 CD PRO A 41 34.608 -7.449 -1.569 1.00 0.00 C ATOM 0 HA PRO A 41 32.628 -4.988 -2.418 1.00 0.00 H new ATOM 0 HB2 PRO A 41 34.297 -5.834 -4.473 1.00 0.00 H new ATOM 0 HB3 PRO A 41 34.948 -5.019 -3.064 1.00 0.00 H new ATOM 0 HG2 PRO A 41 34.837 -7.981 -3.653 1.00 0.00 H new ATOM 0 HG3 PRO A 41 36.169 -7.041 -3.010 1.00 0.00 H new ATOM 0 HD2 PRO A 41 34.593 -8.519 -1.361 1.00 0.00 H new ATOM 0 HD3 PRO A 41 35.256 -6.988 -0.823 1.00 0.00 H new ATOM 635 N LYS A 42 31.303 -5.647 -4.459 1.00 0.00 N ATOM 636 CA LYS A 42 30.200 -6.018 -5.373 1.00 0.00 C ATOM 637 C LYS A 42 30.658 -7.005 -6.468 1.00 0.00 C ATOM 638 O LYS A 42 29.856 -7.818 -6.935 1.00 0.00 O ATOM 639 CB LYS A 42 29.538 -4.758 -6.004 1.00 0.00 C ATOM 640 CG LYS A 42 28.850 -3.801 -4.993 1.00 0.00 C ATOM 641 CD LYS A 42 27.797 -4.495 -4.080 1.00 0.00 C ATOM 642 CE LYS A 42 26.697 -5.246 -4.862 1.00 0.00 C ATOM 643 NZ LYS A 42 26.015 -4.375 -5.850 1.00 0.00 N ATOM 0 H LYS A 42 31.556 -4.660 -4.502 1.00 0.00 H new ATOM 0 HA LYS A 42 29.450 -6.529 -4.769 1.00 0.00 H new ATOM 0 HB2 LYS A 42 30.300 -4.200 -6.548 1.00 0.00 H new ATOM 0 HB3 LYS A 42 28.798 -5.083 -6.735 1.00 0.00 H new ATOM 0 HG2 LYS A 42 29.614 -3.342 -4.365 1.00 0.00 H new ATOM 0 HG3 LYS A 42 28.364 -2.996 -5.544 1.00 0.00 H new ATOM 0 HD2 LYS A 42 28.307 -5.198 -3.422 1.00 0.00 H new ATOM 0 HD3 LYS A 42 27.330 -3.744 -3.443 1.00 0.00 H new ATOM 0 HE2 LYS A 42 27.138 -6.099 -5.377 1.00 0.00 H new ATOM 0 HE3 LYS A 42 25.962 -5.642 -4.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 25.241 -4.903 -6.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 25.629 -3.539 -5.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 26.697 -4.072 -6.575 1.00 0.00 H new ATOM 657 N LYS A 43 31.949 -6.934 -6.864 1.00 0.00 N ATOM 658 CA LYS A 43 32.535 -7.903 -7.822 1.00 0.00 C ATOM 659 C LYS A 43 32.749 -9.288 -7.159 1.00 0.00 C ATOM 660 O LYS A 43 32.906 -10.289 -7.864 1.00 0.00 O ATOM 661 CB LYS A 43 33.858 -7.397 -8.478 1.00 0.00 C ATOM 662 CG LYS A 43 35.055 -7.153 -7.517 1.00 0.00 C ATOM 663 CD LYS A 43 35.069 -5.740 -6.883 1.00 0.00 C ATOM 664 CE LYS A 43 35.321 -4.615 -7.901 1.00 0.00 C ATOM 665 NZ LYS A 43 36.657 -4.731 -8.536 1.00 0.00 N ATOM 0 H LYS A 43 32.602 -6.221 -6.538 1.00 0.00 H new ATOM 0 HA LYS A 43 31.807 -8.007 -8.627 1.00 0.00 H new ATOM 0 HB2 LYS A 43 34.166 -8.123 -9.230 1.00 0.00 H new ATOM 0 HB3 LYS A 43 33.645 -6.465 -9.002 1.00 0.00 H new ATOM 0 HG2 LYS A 43 35.028 -7.898 -6.722 1.00 0.00 H new ATOM 0 HG3 LYS A 43 35.985 -7.305 -8.064 1.00 0.00 H new ATOM 0 HD2 LYS A 43 34.115 -5.563 -6.387 1.00 0.00 H new ATOM 0 HD3 LYS A 43 35.840 -5.703 -6.114 1.00 0.00 H new ATOM 0 HE2 LYS A 43 34.550 -4.643 -8.671 1.00 0.00 H new ATOM 0 HE3 LYS A 43 35.239 -3.649 -7.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 36.850 -3.877 -9.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 37.384 -4.832 -7.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 36.675 -5.565 -9.157 1.00 0.00 H new ATOM 679 N SER A 44 32.750 -9.346 -5.807 1.00 0.00 N ATOM 680 CA SER A 44 32.754 -10.631 -5.077 1.00 0.00 C ATOM 681 C SER A 44 31.364 -11.287 -5.191 1.00 0.00 C ATOM 682 O SER A 44 31.277 -12.511 -5.288 1.00 0.00 O ATOM 683 CB SER A 44 33.162 -10.452 -3.595 1.00 0.00 C ATOM 684 OG SER A 44 33.259 -11.698 -2.915 1.00 0.00 O ATOM 0 H SER A 44 32.748 -8.523 -5.205 1.00 0.00 H new ATOM 0 HA SER A 44 33.501 -11.283 -5.531 1.00 0.00 H new ATOM 0 HB2 SER A 44 34.120 -9.935 -3.543 1.00 0.00 H new ATOM 0 HB3 SER A 44 32.431 -9.820 -3.091 1.00 0.00 H new ATOM 0 HG SER A 44 34.133 -12.102 -3.095 1.00 0.00 H new ATOM 690 N ILE A 45 30.283 -10.457 -5.206 1.00 0.00 N ATOM 691 CA ILE A 45 28.908 -10.958 -5.439 1.00 0.00 C ATOM 692 C ILE A 45 28.852 -11.610 -6.843 1.00 0.00 C ATOM 693 O ILE A 45 29.088 -10.957 -7.866 1.00 0.00 O ATOM 694 CB ILE A 45 27.776 -9.838 -5.292 1.00 0.00 C ATOM 695 CG1 ILE A 45 27.543 -9.401 -3.795 1.00 0.00 C ATOM 696 CG2 ILE A 45 26.426 -10.304 -5.917 1.00 0.00 C ATOM 697 CD1 ILE A 45 28.695 -8.693 -3.106 1.00 0.00 C ATOM 0 H ILE A 45 30.341 -9.449 -5.061 1.00 0.00 H new ATOM 0 HA ILE A 45 28.690 -11.689 -4.661 1.00 0.00 H new ATOM 0 HB ILE A 45 28.143 -8.971 -5.840 1.00 0.00 H new ATOM 0 HG12 ILE A 45 26.673 -8.746 -3.763 1.00 0.00 H new ATOM 0 HG13 ILE A 45 27.294 -10.290 -3.215 1.00 0.00 H new ATOM 0 HG21 ILE A 45 25.680 -9.518 -5.799 1.00 0.00 H new ATOM 0 HG22 ILE A 45 26.569 -10.513 -6.977 1.00 0.00 H new ATOM 0 HG23 ILE A 45 26.084 -11.208 -5.412 1.00 0.00 H new ATOM 0 HD11 ILE A 45 28.410 -8.445 -2.083 1.00 0.00 H new ATOM 0 HD12 ILE A 45 29.567 -9.346 -3.091 1.00 0.00 H new ATOM 0 HD13 ILE A 45 28.936 -7.778 -3.648 1.00 0.00 H new ATOM 709 N LYS A 46 28.607 -12.925 -6.849 1.00 0.00 N ATOM 710 CA LYS A 46 28.496 -13.737 -8.064 1.00 0.00 C ATOM 711 C LYS A 46 27.082 -13.599 -8.642 1.00 0.00 C ATOM 712 O LYS A 46 26.895 -13.088 -9.745 1.00 0.00 O ATOM 713 CB LYS A 46 28.808 -15.223 -7.727 1.00 0.00 C ATOM 714 CG LYS A 46 30.218 -15.488 -7.129 1.00 0.00 C ATOM 715 CD LYS A 46 31.400 -15.368 -8.153 1.00 0.00 C ATOM 716 CE LYS A 46 32.317 -14.136 -7.939 1.00 0.00 C ATOM 717 NZ LYS A 46 31.663 -12.855 -8.309 1.00 0.00 N ATOM 0 H LYS A 46 28.478 -13.464 -5.993 1.00 0.00 H new ATOM 0 HA LYS A 46 29.214 -13.391 -8.808 1.00 0.00 H new ATOM 0 HB2 LYS A 46 28.059 -15.583 -7.022 1.00 0.00 H new ATOM 0 HB3 LYS A 46 28.700 -15.815 -8.636 1.00 0.00 H new ATOM 0 HG2 LYS A 46 30.389 -14.785 -6.314 1.00 0.00 H new ATOM 0 HG3 LYS A 46 30.231 -16.488 -6.696 1.00 0.00 H new ATOM 0 HD2 LYS A 46 32.007 -16.271 -8.094 1.00 0.00 H new ATOM 0 HD3 LYS A 46 30.987 -15.327 -9.161 1.00 0.00 H new ATOM 0 HE2 LYS A 46 32.621 -14.094 -6.893 1.00 0.00 H new ATOM 0 HE3 LYS A 46 33.225 -14.258 -8.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 32.378 -12.101 -8.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 31.202 -12.955 -9.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 30.950 -12.610 -7.593 1.00 0.00 H new ATOM 731 N SER A 47 26.092 -14.013 -7.847 1.00 0.00 N ATOM 732 CA SER A 47 24.700 -14.114 -8.285 1.00 0.00 C ATOM 733 C SER A 47 23.761 -13.606 -7.183 1.00 0.00 C ATOM 734 O SER A 47 23.850 -14.052 -6.039 1.00 0.00 O ATOM 735 CB SER A 47 24.385 -15.590 -8.614 1.00 0.00 C ATOM 736 OG SER A 47 25.241 -16.095 -9.632 1.00 0.00 O ATOM 0 H SER A 47 26.236 -14.289 -6.876 1.00 0.00 H new ATOM 0 HA SER A 47 24.550 -13.501 -9.174 1.00 0.00 H new ATOM 0 HB2 SER A 47 24.493 -16.195 -7.714 1.00 0.00 H new ATOM 0 HB3 SER A 47 23.347 -15.678 -8.934 1.00 0.00 H new ATOM 0 HG SER A 47 25.016 -17.031 -9.814 1.00 0.00 H new ATOM 742 N VAL A 48 22.878 -12.658 -7.528 1.00 0.00 N ATOM 743 CA VAL A 48 21.802 -12.207 -6.633 1.00 0.00 C ATOM 744 C VAL A 48 20.531 -13.039 -6.925 1.00 0.00 C ATOM 745 O VAL A 48 19.919 -12.936 -7.993 1.00 0.00 O ATOM 746 CB VAL A 48 21.532 -10.651 -6.749 1.00 0.00 C ATOM 747 CG1 VAL A 48 21.377 -10.188 -8.224 1.00 0.00 C ATOM 748 CG2 VAL A 48 20.311 -10.219 -5.883 1.00 0.00 C ATOM 0 H VAL A 48 22.889 -12.184 -8.431 1.00 0.00 H new ATOM 0 HA VAL A 48 22.111 -12.371 -5.601 1.00 0.00 H new ATOM 0 HB VAL A 48 22.414 -10.147 -6.353 1.00 0.00 H new ATOM 0 HG11 VAL A 48 21.193 -9.114 -8.251 1.00 0.00 H new ATOM 0 HG12 VAL A 48 22.290 -10.414 -8.774 1.00 0.00 H new ATOM 0 HG13 VAL A 48 20.538 -10.711 -8.683 1.00 0.00 H new ATOM 0 HG21 VAL A 48 20.154 -9.145 -5.986 1.00 0.00 H new ATOM 0 HG22 VAL A 48 19.420 -10.750 -6.219 1.00 0.00 H new ATOM 0 HG23 VAL A 48 20.503 -10.459 -4.837 1.00 0.00 H new ATOM 758 N GLU A 49 20.194 -13.907 -5.972 1.00 0.00 N ATOM 759 CA GLU A 49 19.024 -14.797 -6.030 1.00 0.00 C ATOM 760 C GLU A 49 17.857 -14.196 -5.223 1.00 0.00 C ATOM 761 O GLU A 49 18.005 -13.140 -4.583 1.00 0.00 O ATOM 762 CB GLU A 49 19.407 -16.203 -5.476 1.00 0.00 C ATOM 763 CG GLU A 49 20.635 -16.862 -6.150 1.00 0.00 C ATOM 764 CD GLU A 49 20.465 -17.083 -7.665 1.00 0.00 C ATOM 765 OE1 GLU A 49 19.765 -18.044 -8.069 1.00 0.00 O ATOM 766 OE2 GLU A 49 21.026 -16.302 -8.466 1.00 0.00 O ATOM 0 H GLU A 49 20.737 -14.017 -5.116 1.00 0.00 H new ATOM 0 HA GLU A 49 18.704 -14.902 -7.067 1.00 0.00 H new ATOM 0 HB2 GLU A 49 19.603 -16.114 -4.407 1.00 0.00 H new ATOM 0 HB3 GLU A 49 18.550 -16.867 -5.589 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.511 -16.237 -5.979 1.00 0.00 H new ATOM 0 HG3 GLU A 49 20.830 -17.822 -5.671 1.00 0.00 H new ATOM 773 N ASP A 50 16.707 -14.887 -5.250 1.00 0.00 N ATOM 774 CA ASP A 50 15.487 -14.448 -4.554 1.00 0.00 C ATOM 775 C ASP A 50 15.681 -14.527 -3.021 1.00 0.00 C ATOM 776 O ASP A 50 15.479 -15.580 -2.406 1.00 0.00 O ATOM 777 CB ASP A 50 14.278 -15.299 -5.027 1.00 0.00 C ATOM 778 CG ASP A 50 12.953 -14.911 -4.348 1.00 0.00 C ATOM 779 OD1 ASP A 50 12.496 -13.760 -4.527 1.00 0.00 O ATOM 780 OD2 ASP A 50 12.353 -15.757 -3.641 1.00 0.00 O ATOM 0 H ASP A 50 16.596 -15.766 -5.755 1.00 0.00 H new ATOM 0 HA ASP A 50 15.283 -13.406 -4.801 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.169 -15.193 -6.106 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.484 -16.351 -4.829 1.00 0.00 H new ATOM 785 N GLY A 51 16.145 -13.409 -2.434 1.00 0.00 N ATOM 786 CA GLY A 51 16.392 -13.318 -0.989 1.00 0.00 C ATOM 787 C GLY A 51 17.701 -13.984 -0.555 1.00 0.00 C ATOM 788 O GLY A 51 17.900 -14.252 0.639 1.00 0.00 O ATOM 0 H GLY A 51 16.357 -12.552 -2.945 1.00 0.00 H new ATOM 0 HA2 GLY A 51 16.412 -12.268 -0.696 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.562 -13.782 -0.456 1.00 0.00 H new ATOM 792 N ARG A 52 18.613 -14.223 -1.522 1.00 0.00 N ATOM 793 CA ARG A 52 19.923 -14.862 -1.270 1.00 0.00 C ATOM 794 C ARG A 52 21.010 -14.122 -2.058 1.00 0.00 C ATOM 795 O ARG A 52 20.846 -13.886 -3.247 1.00 0.00 O ATOM 796 CB ARG A 52 19.909 -16.363 -1.693 1.00 0.00 C ATOM 797 CG ARG A 52 18.883 -17.243 -0.945 1.00 0.00 C ATOM 798 CD ARG A 52 18.952 -18.721 -1.354 1.00 0.00 C ATOM 799 NE ARG A 52 18.037 -19.551 -0.545 1.00 0.00 N ATOM 800 CZ ARG A 52 18.386 -20.640 0.151 1.00 0.00 C ATOM 801 NH1 ARG A 52 19.638 -21.090 0.144 1.00 0.00 N ATOM 802 NH2 ARG A 52 17.471 -21.281 0.861 1.00 0.00 N ATOM 0 H ARG A 52 18.461 -13.978 -2.500 1.00 0.00 H new ATOM 0 HA ARG A 52 20.131 -14.809 -0.201 1.00 0.00 H new ATOM 0 HB2 ARG A 52 19.704 -16.422 -2.762 1.00 0.00 H new ATOM 0 HB3 ARG A 52 20.904 -16.778 -1.536 1.00 0.00 H new ATOM 0 HG2 ARG A 52 19.055 -17.160 0.128 1.00 0.00 H new ATOM 0 HG3 ARG A 52 17.879 -16.865 -1.137 1.00 0.00 H new ATOM 0 HD2 ARG A 52 18.697 -18.820 -2.409 1.00 0.00 H new ATOM 0 HD3 ARG A 52 19.973 -19.084 -1.238 1.00 0.00 H new ATOM 0 HE ARG A 52 17.057 -19.271 -0.514 1.00 0.00 H new ATOM 0 HH11 ARG A 52 20.352 -20.603 -0.398 1.00 0.00 H new ATOM 0 HH12 ARG A 52 19.884 -21.922 0.681 1.00 0.00 H new ATOM 0 HH21 ARG A 52 16.508 -20.944 0.875 1.00 0.00 H new ATOM 0 HH22 ARG A 52 17.729 -22.112 1.394 1.00 0.00 H new ATOM 816 N ILE A 53 22.109 -13.737 -1.391 1.00 0.00 N ATOM 817 CA ILE A 53 23.274 -13.133 -2.063 1.00 0.00 C ATOM 818 C ILE A 53 24.407 -14.166 -2.145 1.00 0.00 C ATOM 819 O ILE A 53 25.084 -14.433 -1.151 1.00 0.00 O ATOM 820 CB ILE A 53 23.775 -11.840 -1.311 1.00 0.00 C ATOM 821 CG1 ILE A 53 22.665 -10.737 -1.269 1.00 0.00 C ATOM 822 CG2 ILE A 53 25.075 -11.286 -1.945 1.00 0.00 C ATOM 823 CD1 ILE A 53 22.282 -10.159 -2.631 1.00 0.00 C ATOM 0 H ILE A 53 22.217 -13.833 -0.381 1.00 0.00 H new ATOM 0 HA ILE A 53 22.971 -12.833 -3.066 1.00 0.00 H new ATOM 0 HB ILE A 53 23.999 -12.130 -0.284 1.00 0.00 H new ATOM 0 HG12 ILE A 53 21.773 -11.157 -0.805 1.00 0.00 H new ATOM 0 HG13 ILE A 53 23.005 -9.924 -0.628 1.00 0.00 H new ATOM 0 HG21 ILE A 53 25.393 -10.395 -1.403 1.00 0.00 H new ATOM 0 HG22 ILE A 53 25.858 -12.043 -1.890 1.00 0.00 H new ATOM 0 HG23 ILE A 53 24.890 -11.030 -2.988 1.00 0.00 H new ATOM 0 HD11 ILE A 53 21.507 -9.404 -2.501 1.00 0.00 H new ATOM 0 HD12 ILE A 53 23.158 -9.704 -3.093 1.00 0.00 H new ATOM 0 HD13 ILE A 53 21.907 -10.957 -3.272 1.00 0.00 H new ATOM 835 N VAL A 54 24.608 -14.750 -3.334 1.00 0.00 N ATOM 836 CA VAL A 54 25.718 -15.675 -3.580 1.00 0.00 C ATOM 837 C VAL A 54 26.966 -14.853 -3.915 1.00 0.00 C ATOM 838 O VAL A 54 26.972 -14.118 -4.903 1.00 0.00 O ATOM 839 CB VAL A 54 25.400 -16.688 -4.743 1.00 0.00 C ATOM 840 CG1 VAL A 54 26.576 -17.675 -4.979 1.00 0.00 C ATOM 841 CG2 VAL A 54 24.067 -17.437 -4.470 1.00 0.00 C ATOM 0 H VAL A 54 24.010 -14.595 -4.145 1.00 0.00 H new ATOM 0 HA VAL A 54 25.882 -16.271 -2.683 1.00 0.00 H new ATOM 0 HB VAL A 54 25.278 -16.116 -5.663 1.00 0.00 H new ATOM 0 HG11 VAL A 54 26.320 -18.359 -5.789 1.00 0.00 H new ATOM 0 HG12 VAL A 54 27.473 -17.116 -5.246 1.00 0.00 H new ATOM 0 HG13 VAL A 54 26.761 -18.244 -4.068 1.00 0.00 H new ATOM 0 HG21 VAL A 54 23.866 -18.132 -5.286 1.00 0.00 H new ATOM 0 HG22 VAL A 54 24.145 -17.990 -3.534 1.00 0.00 H new ATOM 0 HG23 VAL A 54 23.253 -16.716 -4.399 1.00 0.00 H new ATOM 851 N ILE A 55 27.991 -14.940 -3.055 1.00 0.00 N ATOM 852 CA ILE A 55 29.307 -14.325 -3.298 1.00 0.00 C ATOM 853 C ILE A 55 30.337 -15.423 -3.598 1.00 0.00 C ATOM 854 O ILE A 55 30.029 -16.617 -3.537 1.00 0.00 O ATOM 855 CB ILE A 55 29.813 -13.449 -2.081 1.00 0.00 C ATOM 856 CG1 ILE A 55 30.115 -14.331 -0.825 1.00 0.00 C ATOM 857 CG2 ILE A 55 28.797 -12.331 -1.740 1.00 0.00 C ATOM 858 CD1 ILE A 55 30.860 -13.621 0.289 1.00 0.00 C ATOM 0 H ILE A 55 27.932 -15.440 -2.168 1.00 0.00 H new ATOM 0 HA ILE A 55 29.195 -13.656 -4.151 1.00 0.00 H new ATOM 0 HB ILE A 55 30.747 -12.977 -2.384 1.00 0.00 H new ATOM 0 HG12 ILE A 55 29.172 -14.709 -0.429 1.00 0.00 H new ATOM 0 HG13 ILE A 55 30.699 -15.197 -1.139 1.00 0.00 H new ATOM 0 HG21 ILE A 55 29.170 -11.744 -0.900 1.00 0.00 H new ATOM 0 HG22 ILE A 55 28.666 -11.682 -2.606 1.00 0.00 H new ATOM 0 HG23 ILE A 55 27.840 -12.778 -1.473 1.00 0.00 H new ATOM 0 HD11 ILE A 55 31.023 -14.312 1.116 1.00 0.00 H new ATOM 0 HD12 ILE A 55 31.821 -13.268 -0.084 1.00 0.00 H new ATOM 0 HD13 ILE A 55 30.271 -12.772 0.637 1.00 0.00 H new ATOM 870 N GLY A 56 31.551 -14.989 -3.936 1.00 0.00 N ATOM 871 CA GLY A 56 32.680 -15.874 -4.168 1.00 0.00 C ATOM 872 C GLY A 56 33.755 -15.599 -3.138 1.00 0.00 C ATOM 873 O GLY A 56 33.507 -15.724 -1.938 1.00 0.00 O ATOM 0 H GLY A 56 31.775 -14.001 -4.056 1.00 0.00 H new ATOM 0 HA2 GLY A 56 32.360 -16.914 -4.106 1.00 0.00 H new ATOM 0 HA3 GLY A 56 33.076 -15.721 -5.172 1.00 0.00 H new ATOM 877 N GLU A 57 34.934 -15.165 -3.596 1.00 0.00 N ATOM 878 CA GLU A 57 36.103 -14.941 -2.731 1.00 0.00 C ATOM 879 C GLU A 57 36.533 -13.472 -2.776 1.00 0.00 C ATOM 880 O GLU A 57 36.173 -12.726 -3.695 1.00 0.00 O ATOM 881 CB GLU A 57 37.255 -15.884 -3.152 1.00 0.00 C ATOM 882 CG GLU A 57 36.919 -17.377 -2.970 1.00 0.00 C ATOM 883 CD GLU A 57 37.956 -18.317 -3.591 1.00 0.00 C ATOM 884 OE1 GLU A 57 39.099 -18.366 -3.095 1.00 0.00 O ATOM 885 OE2 GLU A 57 37.631 -19.018 -4.573 1.00 0.00 O ATOM 0 H GLU A 57 35.107 -14.958 -4.580 1.00 0.00 H new ATOM 0 HA GLU A 57 35.835 -15.170 -1.700 1.00 0.00 H new ATOM 0 HB2 GLU A 57 37.503 -15.699 -4.197 1.00 0.00 H new ATOM 0 HB3 GLU A 57 38.143 -15.645 -2.567 1.00 0.00 H new ATOM 0 HG2 GLU A 57 36.834 -17.595 -1.905 1.00 0.00 H new ATOM 0 HG3 GLU A 57 35.945 -17.579 -3.415 1.00 0.00 H new ATOM 892 N PHE A 58 37.289 -13.088 -1.746 1.00 0.00 N ATOM 893 CA PHE A 58 37.746 -11.714 -1.498 1.00 0.00 C ATOM 894 C PHE A 58 38.963 -11.767 -0.556 1.00 0.00 C ATOM 895 O PHE A 58 39.373 -12.852 -0.131 1.00 0.00 O ATOM 896 CB PHE A 58 36.592 -10.864 -0.873 1.00 0.00 C ATOM 897 CG PHE A 58 36.065 -11.413 0.459 1.00 0.00 C ATOM 898 CD1 PHE A 58 35.145 -12.460 0.489 1.00 0.00 C ATOM 899 CD2 PHE A 58 36.518 -10.903 1.678 1.00 0.00 C ATOM 900 CE1 PHE A 58 34.703 -12.978 1.688 1.00 0.00 C ATOM 901 CE2 PHE A 58 36.068 -11.420 2.876 1.00 0.00 C ATOM 902 CZ PHE A 58 35.166 -12.455 2.879 1.00 0.00 C ATOM 0 H PHE A 58 37.612 -13.745 -1.036 1.00 0.00 H new ATOM 0 HA PHE A 58 38.034 -11.240 -2.436 1.00 0.00 H new ATOM 0 HB2 PHE A 58 36.947 -9.845 -0.719 1.00 0.00 H new ATOM 0 HB3 PHE A 58 35.768 -10.811 -1.584 1.00 0.00 H new ATOM 0 HD1 PHE A 58 34.774 -12.870 -0.438 1.00 0.00 H new ATOM 0 HD2 PHE A 58 37.231 -10.092 1.683 1.00 0.00 H new ATOM 0 HE1 PHE A 58 33.994 -13.793 1.696 1.00 0.00 H new ATOM 0 HE2 PHE A 58 36.425 -11.011 3.810 1.00 0.00 H new ATOM 0 HZ PHE A 58 34.817 -12.862 3.817 1.00 0.00 H new ATOM 912 N ASP A 59 39.534 -10.603 -0.225 1.00 0.00 N ATOM 913 CA ASP A 59 40.634 -10.499 0.753 1.00 0.00 C ATOM 914 C ASP A 59 40.053 -10.188 2.133 1.00 0.00 C ATOM 915 O ASP A 59 39.469 -9.126 2.337 1.00 0.00 O ATOM 916 CB ASP A 59 41.644 -9.413 0.321 1.00 0.00 C ATOM 917 CG ASP A 59 42.470 -9.827 -0.913 1.00 0.00 C ATOM 918 OD1 ASP A 59 41.928 -9.822 -2.041 1.00 0.00 O ATOM 919 OD2 ASP A 59 43.659 -10.176 -0.760 1.00 0.00 O ATOM 0 H ASP A 59 39.251 -9.708 -0.623 1.00 0.00 H new ATOM 0 HA ASP A 59 41.169 -11.448 0.798 1.00 0.00 H new ATOM 0 HB2 ASP A 59 41.107 -8.490 0.101 1.00 0.00 H new ATOM 0 HB3 ASP A 59 42.319 -9.200 1.150 1.00 0.00 H new ATOM 924 N GLU A 60 40.208 -11.143 3.063 1.00 0.00 N ATOM 925 CA GLU A 60 39.639 -11.067 4.420 1.00 0.00 C ATOM 926 C GLU A 60 40.224 -9.904 5.240 1.00 0.00 C ATOM 927 O GLU A 60 39.501 -9.281 6.019 1.00 0.00 O ATOM 928 CB GLU A 60 39.846 -12.409 5.167 1.00 0.00 C ATOM 929 CG GLU A 60 41.321 -12.862 5.295 1.00 0.00 C ATOM 930 CD GLU A 60 41.508 -14.075 6.220 1.00 0.00 C ATOM 931 OE1 GLU A 60 41.371 -15.226 5.755 1.00 0.00 O ATOM 932 OE2 GLU A 60 41.794 -13.879 7.419 1.00 0.00 O ATOM 0 H GLU A 60 40.737 -11.999 2.894 1.00 0.00 H new ATOM 0 HA GLU A 60 38.572 -10.875 4.309 1.00 0.00 H new ATOM 0 HB2 GLU A 60 39.420 -12.321 6.166 1.00 0.00 H new ATOM 0 HB3 GLU A 60 39.286 -13.187 4.649 1.00 0.00 H new ATOM 0 HG2 GLU A 60 41.706 -13.107 4.305 1.00 0.00 H new ATOM 0 HG3 GLU A 60 41.917 -12.031 5.672 1.00 0.00 H new ATOM 939 N GLU A 61 41.526 -9.622 5.051 1.00 0.00 N ATOM 940 CA GLU A 61 42.230 -8.552 5.782 1.00 0.00 C ATOM 941 C GLU A 61 41.721 -7.177 5.328 1.00 0.00 C ATOM 942 O GLU A 61 41.533 -6.280 6.155 1.00 0.00 O ATOM 943 CB GLU A 61 43.764 -8.653 5.575 1.00 0.00 C ATOM 944 CG GLU A 61 44.587 -7.639 6.407 1.00 0.00 C ATOM 945 CD GLU A 61 46.092 -7.661 6.091 1.00 0.00 C ATOM 946 OE1 GLU A 61 46.779 -8.634 6.457 1.00 0.00 O ATOM 947 OE2 GLU A 61 46.603 -6.701 5.486 1.00 0.00 O ATOM 0 H GLU A 61 42.117 -10.127 4.391 1.00 0.00 H new ATOM 0 HA GLU A 61 42.023 -8.673 6.845 1.00 0.00 H new ATOM 0 HB2 GLU A 61 44.088 -9.662 5.830 1.00 0.00 H new ATOM 0 HB3 GLU A 61 43.987 -8.504 4.518 1.00 0.00 H new ATOM 0 HG2 GLU A 61 44.201 -6.636 6.227 1.00 0.00 H new ATOM 0 HG3 GLU A 61 44.444 -7.850 7.467 1.00 0.00 H new ATOM 954 N GLU A 62 41.500 -7.026 4.002 1.00 0.00 N ATOM 955 CA GLU A 62 40.950 -5.785 3.431 1.00 0.00 C ATOM 956 C GLU A 62 39.483 -5.602 3.862 1.00 0.00 C ATOM 957 O GLU A 62 39.108 -4.528 4.311 1.00 0.00 O ATOM 958 CB GLU A 62 41.099 -5.737 1.887 1.00 0.00 C ATOM 959 CG GLU A 62 42.567 -5.707 1.414 1.00 0.00 C ATOM 960 CD GLU A 62 42.723 -5.488 -0.101 1.00 0.00 C ATOM 961 OE1 GLU A 62 42.409 -6.407 -0.879 1.00 0.00 O ATOM 962 OE2 GLU A 62 43.141 -4.384 -0.523 1.00 0.00 O ATOM 0 H GLU A 62 41.696 -7.751 3.311 1.00 0.00 H new ATOM 0 HA GLU A 62 41.531 -4.951 3.825 1.00 0.00 H new ATOM 0 HB2 GLU A 62 40.603 -6.606 1.454 1.00 0.00 H new ATOM 0 HB3 GLU A 62 40.584 -4.854 1.507 1.00 0.00 H new ATOM 0 HG2 GLU A 62 43.094 -4.913 1.943 1.00 0.00 H new ATOM 0 HG3 GLU A 62 43.047 -6.646 1.688 1.00 0.00 H new ATOM 969 N ALA A 63 38.688 -6.684 3.785 1.00 0.00 N ATOM 970 CA ALA A 63 37.272 -6.688 4.222 1.00 0.00 C ATOM 971 C ALA A 63 37.152 -6.414 5.736 1.00 0.00 C ATOM 972 O ALA A 63 36.120 -5.932 6.203 1.00 0.00 O ATOM 973 CB ALA A 63 36.613 -8.029 3.870 1.00 0.00 C ATOM 0 H ALA A 63 39.005 -7.582 3.419 1.00 0.00 H new ATOM 0 HA ALA A 63 36.754 -5.887 3.694 1.00 0.00 H new ATOM 0 HB1 ALA A 63 35.573 -8.020 4.196 1.00 0.00 H new ATOM 0 HB2 ALA A 63 36.654 -8.183 2.792 1.00 0.00 H new ATOM 0 HB3 ALA A 63 37.144 -8.838 4.372 1.00 0.00 H new ATOM 979 N ARG A 64 38.222 -6.742 6.479 1.00 0.00 N ATOM 980 CA ARG A 64 38.328 -6.484 7.923 1.00 0.00 C ATOM 981 C ARG A 64 38.564 -4.991 8.199 1.00 0.00 C ATOM 982 O ARG A 64 37.857 -4.392 8.997 1.00 0.00 O ATOM 983 CB ARG A 64 39.489 -7.322 8.527 1.00 0.00 C ATOM 984 CG ARG A 64 39.804 -7.036 10.014 1.00 0.00 C ATOM 985 CD ARG A 64 41.078 -7.751 10.497 1.00 0.00 C ATOM 986 NE ARG A 64 40.947 -9.218 10.430 1.00 0.00 N ATOM 987 CZ ARG A 64 41.068 -10.057 11.465 1.00 0.00 C ATOM 988 NH1 ARG A 64 41.329 -9.608 12.686 1.00 0.00 N ATOM 989 NH2 ARG A 64 40.907 -11.351 11.271 1.00 0.00 N ATOM 0 H ARG A 64 39.046 -7.199 6.089 1.00 0.00 H new ATOM 0 HA ARG A 64 37.388 -6.775 8.392 1.00 0.00 H new ATOM 0 HB2 ARG A 64 39.246 -8.379 8.421 1.00 0.00 H new ATOM 0 HB3 ARG A 64 40.390 -7.141 7.940 1.00 0.00 H new ATOM 0 HG2 ARG A 64 39.918 -5.962 10.157 1.00 0.00 H new ATOM 0 HG3 ARG A 64 38.960 -7.351 10.628 1.00 0.00 H new ATOM 0 HD2 ARG A 64 41.925 -7.434 9.888 1.00 0.00 H new ATOM 0 HD3 ARG A 64 41.294 -7.453 11.523 1.00 0.00 H new ATOM 0 HE ARG A 64 40.747 -9.628 9.518 1.00 0.00 H new ATOM 0 HH11 ARG A 64 41.441 -8.607 12.848 1.00 0.00 H new ATOM 0 HH12 ARG A 64 41.418 -10.264 13.462 1.00 0.00 H new ATOM 0 HH21 ARG A 64 40.692 -11.704 10.338 1.00 0.00 H new ATOM 0 HH22 ARG A 64 40.997 -11.999 12.053 1.00 0.00 H new ATOM 1003 N GLU A 65 39.573 -4.410 7.526 1.00 0.00 N ATOM 1004 CA GLU A 65 40.042 -3.033 7.806 1.00 0.00 C ATOM 1005 C GLU A 65 39.066 -1.971 7.253 1.00 0.00 C ATOM 1006 O GLU A 65 38.801 -0.955 7.909 1.00 0.00 O ATOM 1007 CB GLU A 65 41.480 -2.816 7.261 1.00 0.00 C ATOM 1008 CG GLU A 65 41.627 -3.025 5.747 1.00 0.00 C ATOM 1009 CD GLU A 65 43.074 -2.941 5.245 1.00 0.00 C ATOM 1010 OE1 GLU A 65 43.562 -1.819 4.997 1.00 0.00 O ATOM 1011 OE2 GLU A 65 43.732 -3.992 5.098 1.00 0.00 O ATOM 0 H GLU A 65 40.086 -4.875 6.777 1.00 0.00 H new ATOM 0 HA GLU A 65 40.069 -2.910 8.889 1.00 0.00 H new ATOM 0 HB2 GLU A 65 41.799 -1.803 7.508 1.00 0.00 H new ATOM 0 HB3 GLU A 65 42.157 -3.498 7.776 1.00 0.00 H new ATOM 0 HG2 GLU A 65 41.218 -4.000 5.483 1.00 0.00 H new ATOM 0 HG3 GLU A 65 41.029 -2.277 5.227 1.00 0.00 H new ATOM 1018 N LEU A 66 38.532 -2.201 6.045 1.00 0.00 N ATOM 1019 CA LEU A 66 37.520 -1.309 5.453 1.00 0.00 C ATOM 1020 C LEU A 66 36.107 -1.687 5.977 1.00 0.00 C ATOM 1021 O LEU A 66 35.178 -0.870 5.937 1.00 0.00 O ATOM 1022 CB LEU A 66 37.646 -1.273 3.895 1.00 0.00 C ATOM 1023 CG LEU A 66 37.080 -2.485 3.076 1.00 0.00 C ATOM 1024 CD1 LEU A 66 35.591 -2.291 2.753 1.00 0.00 C ATOM 1025 CD2 LEU A 66 37.903 -2.749 1.790 1.00 0.00 C ATOM 0 H LEU A 66 38.783 -2.996 5.458 1.00 0.00 H new ATOM 0 HA LEU A 66 37.696 -0.282 5.773 1.00 0.00 H new ATOM 0 HB2 LEU A 66 37.147 -0.371 3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 66 38.703 -1.170 3.649 1.00 0.00 H new ATOM 0 HG LEU A 66 37.174 -3.370 3.705 1.00 0.00 H new ATOM 0 HD11 LEU A 66 35.227 -3.147 2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 66 35.026 -2.205 3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 66 35.462 -1.383 2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 66 37.477 -3.596 1.253 1.00 0.00 H new ATOM 0 HD22 LEU A 66 37.876 -1.865 1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 66 38.936 -2.972 2.058 1.00 0.00 H new ATOM 1037 N GLY A 67 35.959 -2.935 6.476 1.00 0.00 N ATOM 1038 CA GLY A 67 34.748 -3.343 7.196 1.00 0.00 C ATOM 1039 C GLY A 67 34.610 -2.610 8.523 1.00 0.00 C ATOM 1040 O GLY A 67 33.542 -2.103 8.846 1.00 0.00 O ATOM 0 H GLY A 67 36.663 -3.668 6.390 1.00 0.00 H new ATOM 0 HA2 GLY A 67 33.872 -3.145 6.578 1.00 0.00 H new ATOM 0 HA3 GLY A 67 34.775 -4.418 7.375 1.00 0.00 H new ATOM 1044 N ARG A 68 35.725 -2.521 9.275 1.00 0.00 N ATOM 1045 CA ARG A 68 35.797 -1.762 10.539 1.00 0.00 C ATOM 1046 C ARG A 68 35.861 -0.253 10.255 1.00 0.00 C ATOM 1047 O ARG A 68 35.732 0.546 11.175 1.00 0.00 O ATOM 1048 CB ARG A 68 36.979 -2.221 11.434 1.00 0.00 C ATOM 1049 CG ARG A 68 38.373 -1.829 10.914 1.00 0.00 C ATOM 1050 CD ARG A 68 39.525 -2.453 11.716 1.00 0.00 C ATOM 1051 NE ARG A 68 40.831 -2.112 11.123 1.00 0.00 N ATOM 1052 CZ ARG A 68 41.998 -2.711 11.393 1.00 0.00 C ATOM 1053 NH1 ARG A 68 42.076 -3.732 12.246 1.00 0.00 N ATOM 1054 NH2 ARG A 68 43.091 -2.279 10.791 1.00 0.00 N ATOM 0 H ARG A 68 36.603 -2.975 9.022 1.00 0.00 H new ATOM 0 HA ARG A 68 34.886 -1.970 11.100 1.00 0.00 H new ATOM 0 HB2 ARG A 68 36.847 -1.799 12.430 1.00 0.00 H new ATOM 0 HB3 ARG A 68 36.937 -3.305 11.538 1.00 0.00 H new ATOM 0 HG2 ARG A 68 38.461 -2.132 9.871 1.00 0.00 H new ATOM 0 HG3 ARG A 68 38.469 -0.744 10.940 1.00 0.00 H new ATOM 0 HD2 ARG A 68 39.487 -2.101 12.747 1.00 0.00 H new ATOM 0 HD3 ARG A 68 39.407 -3.536 11.745 1.00 0.00 H new ATOM 0 HE ARG A 68 40.847 -1.350 10.445 1.00 0.00 H new ATOM 0 HH11 ARG A 68 41.235 -4.074 12.710 1.00 0.00 H new ATOM 0 HH12 ARG A 68 42.977 -4.171 12.435 1.00 0.00 H new ATOM 0 HH21 ARG A 68 43.037 -1.501 10.133 1.00 0.00 H new ATOM 0 HH22 ARG A 68 43.989 -2.723 10.984 1.00 0.00 H new ATOM 1068 N LYS A 69 36.140 0.126 8.981 1.00 0.00 N ATOM 1069 CA LYS A 69 35.973 1.518 8.498 1.00 0.00 C ATOM 1070 C LYS A 69 34.479 1.884 8.467 1.00 0.00 C ATOM 1071 O LYS A 69 34.127 3.044 8.619 1.00 0.00 O ATOM 1072 CB LYS A 69 36.570 1.706 7.078 1.00 0.00 C ATOM 1073 CG LYS A 69 37.038 3.141 6.740 1.00 0.00 C ATOM 1074 CD LYS A 69 38.429 3.445 7.324 1.00 0.00 C ATOM 1075 CE LYS A 69 39.505 2.481 6.774 1.00 0.00 C ATOM 1076 NZ LYS A 69 40.854 2.776 7.313 1.00 0.00 N ATOM 0 H LYS A 69 36.483 -0.518 8.268 1.00 0.00 H new ATOM 0 HA LYS A 69 36.508 2.173 9.186 1.00 0.00 H new ATOM 0 HB2 LYS A 69 37.418 1.030 6.966 1.00 0.00 H new ATOM 0 HB3 LYS A 69 35.822 1.404 6.345 1.00 0.00 H new ATOM 0 HG2 LYS A 69 37.063 3.269 5.658 1.00 0.00 H new ATOM 0 HG3 LYS A 69 36.316 3.859 7.129 1.00 0.00 H new ATOM 0 HD2 LYS A 69 38.706 4.472 7.087 1.00 0.00 H new ATOM 0 HD3 LYS A 69 38.392 3.367 8.411 1.00 0.00 H new ATOM 0 HE2 LYS A 69 39.233 1.456 7.024 1.00 0.00 H new ATOM 0 HE3 LYS A 69 39.528 2.549 5.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 41.541 2.104 6.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 41.127 3.745 7.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 40.841 2.686 8.349 1.00 0.00 H new ATOM 1090 N TRP A 70 33.619 0.877 8.203 1.00 0.00 N ATOM 1091 CA TRP A 70 32.155 1.017 8.344 1.00 0.00 C ATOM 1092 C TRP A 70 31.752 1.092 9.834 1.00 0.00 C ATOM 1093 O TRP A 70 30.846 1.849 10.201 1.00 0.00 O ATOM 1094 CB TRP A 70 31.411 -0.131 7.620 1.00 0.00 C ATOM 1095 CG TRP A 70 29.904 -0.101 7.788 1.00 0.00 C ATOM 1096 CD1 TRP A 70 29.005 0.674 7.106 1.00 0.00 C ATOM 1097 CD2 TRP A 70 29.132 -0.880 8.712 1.00 0.00 C ATOM 1098 NE1 TRP A 70 27.735 0.403 7.539 1.00 0.00 N ATOM 1099 CE2 TRP A 70 27.789 -0.544 8.521 1.00 0.00 C ATOM 1100 CE3 TRP A 70 29.462 -1.835 9.673 1.00 0.00 C ATOM 1101 CZ2 TRP A 70 26.769 -1.124 9.265 1.00 0.00 C ATOM 1102 CZ3 TRP A 70 28.455 -2.415 10.405 1.00 0.00 C ATOM 1103 CH2 TRP A 70 27.120 -2.060 10.200 1.00 0.00 C ATOM 0 H TRP A 70 33.917 -0.047 7.889 1.00 0.00 H new ATOM 0 HA TRP A 70 31.859 1.952 7.868 1.00 0.00 H new ATOM 0 HB2 TRP A 70 31.647 -0.088 6.557 1.00 0.00 H new ATOM 0 HB3 TRP A 70 31.788 -1.084 7.992 1.00 0.00 H new ATOM 0 HD1 TRP A 70 29.260 1.392 6.341 1.00 0.00 H new ATOM 0 HE1 TRP A 70 26.884 0.839 7.184 1.00 0.00 H new ATOM 0 HE3 TRP A 70 30.492 -2.114 9.839 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 25.737 -0.846 9.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 28.699 -3.157 11.151 1.00 0.00 H new ATOM 0 HH2 TRP A 70 26.350 -2.533 10.791 1.00 0.00 H new ATOM 1114 N LEU A 71 32.421 0.300 10.698 1.00 0.00 N ATOM 1115 CA LEU A 71 32.240 0.421 12.169 1.00 0.00 C ATOM 1116 C LEU A 71 32.764 1.796 12.661 1.00 0.00 C ATOM 1117 O LEU A 71 32.267 2.346 13.652 1.00 0.00 O ATOM 1118 CB LEU A 71 32.937 -0.740 12.960 1.00 0.00 C ATOM 1119 CG LEU A 71 32.247 -2.153 12.973 1.00 0.00 C ATOM 1120 CD1 LEU A 71 30.784 -2.072 13.442 1.00 0.00 C ATOM 1121 CD2 LEU A 71 32.367 -2.881 11.623 1.00 0.00 C ATOM 0 H LEU A 71 33.083 -0.422 10.413 1.00 0.00 H new ATOM 0 HA LEU A 71 31.171 0.345 12.367 1.00 0.00 H new ATOM 0 HB2 LEU A 71 33.940 -0.864 12.553 1.00 0.00 H new ATOM 0 HB3 LEU A 71 33.050 -0.416 13.995 1.00 0.00 H new ATOM 0 HG LEU A 71 32.792 -2.753 13.702 1.00 0.00 H new ATOM 0 HD11 LEU A 71 30.344 -3.069 13.436 1.00 0.00 H new ATOM 0 HD12 LEU A 71 30.748 -1.665 14.453 1.00 0.00 H new ATOM 0 HD13 LEU A 71 30.222 -1.424 12.770 1.00 0.00 H new ATOM 0 HD21 LEU A 71 31.874 -3.851 11.688 1.00 0.00 H new ATOM 0 HD22 LEU A 71 31.893 -2.284 10.844 1.00 0.00 H new ATOM 0 HD23 LEU A 71 33.420 -3.025 11.379 1.00 0.00 H new ATOM 1133 N GLU A 72 33.773 2.333 11.949 1.00 0.00 N ATOM 1134 CA GLU A 72 34.296 3.691 12.167 1.00 0.00 C ATOM 1135 C GLU A 72 33.297 4.713 11.632 1.00 0.00 C ATOM 1136 O GLU A 72 33.126 5.772 12.214 1.00 0.00 O ATOM 1137 CB GLU A 72 35.656 3.870 11.452 1.00 0.00 C ATOM 1138 CG GLU A 72 36.290 5.276 11.586 1.00 0.00 C ATOM 1139 CD GLU A 72 37.491 5.487 10.652 1.00 0.00 C ATOM 1140 OE1 GLU A 72 38.493 4.756 10.799 1.00 0.00 O ATOM 1141 OE2 GLU A 72 37.433 6.363 9.768 1.00 0.00 O ATOM 0 H GLU A 72 34.250 1.831 11.201 1.00 0.00 H new ATOM 0 HA GLU A 72 34.442 3.844 13.236 1.00 0.00 H new ATOM 0 HB2 GLU A 72 36.356 3.134 11.847 1.00 0.00 H new ATOM 0 HB3 GLU A 72 35.524 3.648 10.393 1.00 0.00 H new ATOM 0 HG2 GLU A 72 35.534 6.031 11.372 1.00 0.00 H new ATOM 0 HG3 GLU A 72 36.608 5.428 12.617 1.00 0.00 H new