USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=14 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+ -149:sc= 0.478 (180deg=-0.0732) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -160:sc= -0.819 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+ 167:sc= -0.0251 (180deg=-0.17) USER MOD Single : A 35 THR OG1 : rot 73:sc= 0.196 USER MOD Single : A 42 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0188) USER MOD Single : A 43 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0174) USER MOD Single : A 44 SER OG : rot 85:sc= 0.249 USER MOD Single : A 46 LYS NZ :NH3+ -179:sc= 0.28 (180deg=0.28) USER MOD Single : A 47 SER OG : rot 4:sc= 0.243 USER MOD Single : A 69 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0164) USER MOD ----------------------------------------------------------------- ATOM 123 N MET A 9 18.721 -10.261 2.927 1.00 0.00 N ATOM 124 CA MET A 9 19.236 -11.335 2.060 1.00 0.00 C ATOM 125 C MET A 9 20.393 -12.060 2.772 1.00 0.00 C ATOM 126 O MET A 9 21.289 -11.421 3.338 1.00 0.00 O ATOM 127 CB MET A 9 19.703 -10.765 0.684 1.00 0.00 C ATOM 128 CG MET A 9 18.577 -10.198 -0.196 1.00 0.00 C ATOM 129 SD MET A 9 19.150 -9.602 -1.800 1.00 0.00 S ATOM 130 CE MET A 9 17.599 -9.133 -2.573 1.00 0.00 C ATOM 0 HA MET A 9 18.434 -12.048 1.866 1.00 0.00 H new ATOM 0 HB2 MET A 9 20.436 -9.978 0.863 1.00 0.00 H new ATOM 0 HB3 MET A 9 20.212 -11.556 0.133 1.00 0.00 H new ATOM 0 HG2 MET A 9 17.824 -10.971 -0.352 1.00 0.00 H new ATOM 0 HG3 MET A 9 18.089 -9.380 0.334 1.00 0.00 H new ATOM 0 HE1 MET A 9 17.793 -8.745 -3.573 1.00 0.00 H new ATOM 0 HE2 MET A 9 16.949 -10.005 -2.642 1.00 0.00 H new ATOM 0 HE3 MET A 9 17.112 -8.364 -1.974 1.00 0.00 H new ATOM 140 N TYR A 10 20.343 -13.400 2.750 1.00 0.00 N ATOM 141 CA TYR A 10 21.365 -14.267 3.360 1.00 0.00 C ATOM 142 C TYR A 10 22.539 -14.458 2.387 1.00 0.00 C ATOM 143 O TYR A 10 22.347 -14.901 1.248 1.00 0.00 O ATOM 144 CB TYR A 10 20.740 -15.632 3.733 1.00 0.00 C ATOM 145 CG TYR A 10 19.599 -15.534 4.756 1.00 0.00 C ATOM 146 CD1 TYR A 10 19.861 -15.485 6.130 1.00 0.00 C ATOM 147 CD2 TYR A 10 18.264 -15.476 4.352 1.00 0.00 C ATOM 148 CE1 TYR A 10 18.833 -15.388 7.052 1.00 0.00 C ATOM 149 CE2 TYR A 10 17.236 -15.375 5.272 1.00 0.00 C ATOM 150 CZ TYR A 10 17.526 -15.331 6.619 1.00 0.00 C ATOM 151 OH TYR A 10 16.501 -15.233 7.538 1.00 0.00 O ATOM 0 H TYR A 10 19.586 -13.918 2.305 1.00 0.00 H new ATOM 0 HA TYR A 10 21.741 -13.796 4.268 1.00 0.00 H new ATOM 0 HB2 TYR A 10 20.363 -16.108 2.828 1.00 0.00 H new ATOM 0 HB3 TYR A 10 21.519 -16.280 4.133 1.00 0.00 H new ATOM 0 HD1 TYR A 10 20.883 -15.524 6.477 1.00 0.00 H new ATOM 0 HD2 TYR A 10 18.029 -15.511 3.299 1.00 0.00 H new ATOM 0 HE1 TYR A 10 19.055 -15.357 8.109 1.00 0.00 H new ATOM 0 HE2 TYR A 10 16.210 -15.331 4.936 1.00 0.00 H new ATOM 0 HH TYR A 10 15.642 -15.202 7.068 1.00 0.00 H new ATOM 161 N VAL A 11 23.746 -14.118 2.845 1.00 0.00 N ATOM 162 CA VAL A 11 24.959 -14.148 2.021 1.00 0.00 C ATOM 163 C VAL A 11 25.580 -15.561 2.023 1.00 0.00 C ATOM 164 O VAL A 11 26.147 -16.007 3.027 1.00 0.00 O ATOM 165 CB VAL A 11 25.987 -13.070 2.522 1.00 0.00 C ATOM 166 CG1 VAL A 11 27.262 -13.033 1.646 1.00 0.00 C ATOM 167 CG2 VAL A 11 25.306 -11.678 2.595 1.00 0.00 C ATOM 0 H VAL A 11 23.911 -13.812 3.804 1.00 0.00 H new ATOM 0 HA VAL A 11 24.691 -13.904 0.993 1.00 0.00 H new ATOM 0 HB VAL A 11 26.309 -13.351 3.525 1.00 0.00 H new ATOM 0 HG11 VAL A 11 27.944 -12.274 2.029 1.00 0.00 H new ATOM 0 HG12 VAL A 11 27.751 -14.007 1.673 1.00 0.00 H new ATOM 0 HG13 VAL A 11 26.990 -12.792 0.618 1.00 0.00 H new ATOM 0 HG21 VAL A 11 26.027 -10.938 2.943 1.00 0.00 H new ATOM 0 HG22 VAL A 11 24.946 -11.397 1.605 1.00 0.00 H new ATOM 0 HG23 VAL A 11 24.466 -11.720 3.288 1.00 0.00 H new ATOM 177 N PHE A 12 25.411 -16.269 0.898 1.00 0.00 N ATOM 178 CA PHE A 12 26.006 -17.592 0.667 1.00 0.00 C ATOM 179 C PHE A 12 27.256 -17.456 -0.210 1.00 0.00 C ATOM 180 O PHE A 12 27.186 -16.915 -1.311 1.00 0.00 O ATOM 181 CB PHE A 12 24.993 -18.547 -0.025 1.00 0.00 C ATOM 182 CG PHE A 12 23.804 -18.963 0.844 1.00 0.00 C ATOM 183 CD1 PHE A 12 22.691 -18.140 0.981 1.00 0.00 C ATOM 184 CD2 PHE A 12 23.799 -20.189 1.515 1.00 0.00 C ATOM 185 CE1 PHE A 12 21.613 -18.525 1.759 1.00 0.00 C ATOM 186 CE2 PHE A 12 22.721 -20.571 2.293 1.00 0.00 C ATOM 187 CZ PHE A 12 21.627 -19.739 2.414 1.00 0.00 C ATOM 0 H PHE A 12 24.851 -15.935 0.114 1.00 0.00 H new ATOM 0 HA PHE A 12 26.277 -18.014 1.635 1.00 0.00 H new ATOM 0 HB2 PHE A 12 24.615 -18.062 -0.925 1.00 0.00 H new ATOM 0 HB3 PHE A 12 25.522 -19.445 -0.345 1.00 0.00 H new ATOM 0 HD1 PHE A 12 22.668 -17.187 0.473 1.00 0.00 H new ATOM 0 HD2 PHE A 12 24.650 -20.848 1.425 1.00 0.00 H new ATOM 0 HE1 PHE A 12 20.758 -17.873 1.854 1.00 0.00 H new ATOM 0 HE2 PHE A 12 22.736 -21.521 2.806 1.00 0.00 H new ATOM 0 HZ PHE A 12 20.784 -20.037 3.020 1.00 0.00 H new ATOM 197 N LYS A 13 28.392 -17.949 0.286 1.00 0.00 N ATOM 198 CA LYS A 13 29.625 -18.071 -0.491 1.00 0.00 C ATOM 199 C LYS A 13 29.503 -19.316 -1.395 1.00 0.00 C ATOM 200 O LYS A 13 29.818 -20.445 -0.990 1.00 0.00 O ATOM 201 CB LYS A 13 30.840 -18.122 0.472 1.00 0.00 C ATOM 202 CG LYS A 13 32.215 -18.273 -0.206 1.00 0.00 C ATOM 203 CD LYS A 13 33.386 -18.182 0.804 1.00 0.00 C ATOM 204 CE LYS A 13 34.733 -18.598 0.194 1.00 0.00 C ATOM 205 NZ LYS A 13 34.746 -20.039 -0.181 1.00 0.00 N ATOM 0 H LYS A 13 28.482 -18.278 1.247 1.00 0.00 H new ATOM 0 HA LYS A 13 29.784 -17.208 -1.138 1.00 0.00 H new ATOM 0 HB2 LYS A 13 30.847 -17.210 1.070 1.00 0.00 H new ATOM 0 HB3 LYS A 13 30.701 -18.954 1.162 1.00 0.00 H new ATOM 0 HG2 LYS A 13 32.259 -19.232 -0.723 1.00 0.00 H new ATOM 0 HG3 LYS A 13 32.331 -17.497 -0.963 1.00 0.00 H new ATOM 0 HD2 LYS A 13 33.461 -17.160 1.175 1.00 0.00 H new ATOM 0 HD3 LYS A 13 33.169 -18.818 1.662 1.00 0.00 H new ATOM 0 HE2 LYS A 13 34.936 -17.991 -0.688 1.00 0.00 H new ATOM 0 HE3 LYS A 13 35.532 -18.401 0.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 35.711 -20.414 -0.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 34.104 -20.566 0.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 34.432 -20.144 -1.167 1.00 0.00 H new ATOM 219 N GLY A 14 28.960 -19.089 -2.605 1.00 0.00 N ATOM 220 CA GLY A 14 28.591 -20.166 -3.512 1.00 0.00 C ATOM 221 C GLY A 14 27.378 -20.928 -2.984 1.00 0.00 C ATOM 222 O GLY A 14 26.236 -20.490 -3.170 1.00 0.00 O ATOM 0 H GLY A 14 28.770 -18.156 -2.970 1.00 0.00 H new ATOM 0 HA2 GLY A 14 28.368 -19.757 -4.498 1.00 0.00 H new ATOM 0 HA3 GLY A 14 29.431 -20.850 -3.633 1.00 0.00 H new ATOM 226 N GLU A 15 27.637 -22.058 -2.302 1.00 0.00 N ATOM 227 CA GLU A 15 26.599 -22.891 -1.666 1.00 0.00 C ATOM 228 C GLU A 15 26.650 -22.748 -0.133 1.00 0.00 C ATOM 229 O GLU A 15 25.604 -22.832 0.529 1.00 0.00 O ATOM 230 CB GLU A 15 26.757 -24.392 -2.054 1.00 0.00 C ATOM 231 CG GLU A 15 26.564 -24.728 -3.552 1.00 0.00 C ATOM 232 CD GLU A 15 27.758 -24.354 -4.446 1.00 0.00 C ATOM 233 OE1 GLU A 15 28.786 -25.064 -4.407 1.00 0.00 O ATOM 234 OE2 GLU A 15 27.674 -23.363 -5.203 1.00 0.00 O ATOM 0 H GLU A 15 28.581 -22.422 -2.175 1.00 0.00 H new ATOM 0 HA GLU A 15 25.633 -22.539 -2.029 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.751 -24.722 -1.753 1.00 0.00 H new ATOM 0 HB3 GLU A 15 26.039 -24.974 -1.476 1.00 0.00 H new ATOM 0 HG2 GLU A 15 26.373 -25.797 -3.650 1.00 0.00 H new ATOM 0 HG3 GLU A 15 25.677 -24.210 -3.917 1.00 0.00 H new ATOM 241 N GLU A 16 27.865 -22.528 0.427 1.00 0.00 N ATOM 242 CA GLU A 16 28.060 -22.485 1.897 1.00 0.00 C ATOM 243 C GLU A 16 27.512 -21.163 2.466 1.00 0.00 C ATOM 244 O GLU A 16 27.636 -20.115 1.828 1.00 0.00 O ATOM 245 CB GLU A 16 29.558 -22.675 2.301 1.00 0.00 C ATOM 246 CG GLU A 16 30.506 -21.535 1.883 1.00 0.00 C ATOM 247 CD GLU A 16 31.939 -21.673 2.425 1.00 0.00 C ATOM 248 OE1 GLU A 16 32.102 -21.760 3.662 1.00 0.00 O ATOM 249 OE2 GLU A 16 32.909 -21.659 1.630 1.00 0.00 O ATOM 0 H GLU A 16 28.718 -22.379 -0.112 1.00 0.00 H new ATOM 0 HA GLU A 16 27.505 -23.320 2.325 1.00 0.00 H new ATOM 0 HB2 GLU A 16 29.613 -22.791 3.383 1.00 0.00 H new ATOM 0 HB3 GLU A 16 29.920 -23.605 1.862 1.00 0.00 H new ATOM 0 HG2 GLU A 16 30.544 -21.491 0.795 1.00 0.00 H new ATOM 0 HG3 GLU A 16 30.090 -20.588 2.226 1.00 0.00 H new ATOM 256 N SER A 17 26.896 -21.217 3.659 1.00 0.00 N ATOM 257 CA SER A 17 26.366 -20.023 4.335 1.00 0.00 C ATOM 258 C SER A 17 27.539 -19.234 4.955 1.00 0.00 C ATOM 259 O SER A 17 28.117 -19.656 5.967 1.00 0.00 O ATOM 260 CB SER A 17 25.322 -20.428 5.407 1.00 0.00 C ATOM 261 OG SER A 17 24.714 -19.295 6.004 1.00 0.00 O ATOM 0 H SER A 17 26.753 -22.083 4.178 1.00 0.00 H new ATOM 0 HA SER A 17 25.857 -19.383 3.614 1.00 0.00 H new ATOM 0 HB2 SER A 17 24.555 -21.053 4.950 1.00 0.00 H new ATOM 0 HB3 SER A 17 25.806 -21.029 6.177 1.00 0.00 H new ATOM 0 HG SER A 17 24.061 -19.589 6.673 1.00 0.00 H new ATOM 267 N PHE A 18 27.914 -18.114 4.307 1.00 0.00 N ATOM 268 CA PHE A 18 29.021 -17.259 4.763 1.00 0.00 C ATOM 269 C PHE A 18 28.563 -16.420 5.968 1.00 0.00 C ATOM 270 O PHE A 18 29.193 -16.444 7.033 1.00 0.00 O ATOM 271 CB PHE A 18 29.506 -16.342 3.603 1.00 0.00 C ATOM 272 CG PHE A 18 30.602 -15.350 4.004 1.00 0.00 C ATOM 273 CD1 PHE A 18 31.870 -15.799 4.374 1.00 0.00 C ATOM 274 CD2 PHE A 18 30.359 -13.972 4.039 1.00 0.00 C ATOM 275 CE1 PHE A 18 32.855 -14.909 4.761 1.00 0.00 C ATOM 276 CE2 PHE A 18 31.346 -13.086 4.428 1.00 0.00 C ATOM 277 CZ PHE A 18 32.592 -13.555 4.790 1.00 0.00 C ATOM 0 H PHE A 18 27.459 -17.780 3.457 1.00 0.00 H new ATOM 0 HA PHE A 18 29.858 -17.886 5.071 1.00 0.00 H new ATOM 0 HB2 PHE A 18 29.877 -16.967 2.791 1.00 0.00 H new ATOM 0 HB3 PHE A 18 28.653 -15.786 3.213 1.00 0.00 H new ATOM 0 HD1 PHE A 18 32.085 -16.857 4.358 1.00 0.00 H new ATOM 0 HD2 PHE A 18 29.386 -13.596 3.758 1.00 0.00 H new ATOM 0 HE1 PHE A 18 33.832 -15.274 5.041 1.00 0.00 H new ATOM 0 HE2 PHE A 18 31.142 -12.026 4.449 1.00 0.00 H new ATOM 0 HZ PHE A 18 33.362 -12.862 5.096 1.00 0.00 H new ATOM 287 N GLY A 19 27.446 -15.708 5.779 1.00 0.00 N ATOM 288 CA GLY A 19 26.878 -14.843 6.808 1.00 0.00 C ATOM 289 C GLY A 19 25.575 -14.218 6.354 1.00 0.00 C ATOM 290 O GLY A 19 24.971 -14.675 5.380 1.00 0.00 O ATOM 0 H GLY A 19 26.915 -15.718 4.908 1.00 0.00 H new ATOM 0 HA2 GLY A 19 26.708 -15.421 7.717 1.00 0.00 H new ATOM 0 HA3 GLY A 19 27.591 -14.058 7.058 1.00 0.00 H new ATOM 294 N GLU A 20 25.142 -13.165 7.045 1.00 0.00 N ATOM 295 CA GLU A 20 23.894 -12.450 6.731 1.00 0.00 C ATOM 296 C GLU A 20 24.220 -10.984 6.412 1.00 0.00 C ATOM 297 O GLU A 20 25.136 -10.412 7.003 1.00 0.00 O ATOM 298 CB GLU A 20 22.904 -12.554 7.932 1.00 0.00 C ATOM 299 CG GLU A 20 23.456 -11.989 9.262 1.00 0.00 C ATOM 300 CD GLU A 20 22.442 -11.988 10.417 1.00 0.00 C ATOM 301 OE1 GLU A 20 21.347 -11.404 10.249 1.00 0.00 O ATOM 302 OE2 GLU A 20 22.751 -12.521 11.507 1.00 0.00 O ATOM 0 H GLU A 20 25.645 -12.778 7.843 1.00 0.00 H new ATOM 0 HA GLU A 20 23.417 -12.901 5.861 1.00 0.00 H new ATOM 0 HB2 GLU A 20 21.986 -12.023 7.678 1.00 0.00 H new ATOM 0 HB3 GLU A 20 22.637 -13.601 8.078 1.00 0.00 H new ATOM 0 HG2 GLU A 20 24.326 -12.574 9.559 1.00 0.00 H new ATOM 0 HG3 GLU A 20 23.800 -10.968 9.095 1.00 0.00 H new ATOM 309 N SER A 21 23.485 -10.383 5.460 1.00 0.00 N ATOM 310 CA SER A 21 23.646 -8.959 5.123 1.00 0.00 C ATOM 311 C SER A 21 23.011 -8.089 6.218 1.00 0.00 C ATOM 312 O SER A 21 22.020 -8.487 6.850 1.00 0.00 O ATOM 313 CB SER A 21 23.017 -8.635 3.747 1.00 0.00 C ATOM 314 OG SER A 21 23.174 -7.258 3.420 1.00 0.00 O ATOM 0 H SER A 21 22.773 -10.863 4.910 1.00 0.00 H new ATOM 0 HA SER A 21 24.712 -8.739 5.063 1.00 0.00 H new ATOM 0 HB2 SER A 21 23.484 -9.250 2.977 1.00 0.00 H new ATOM 0 HB3 SER A 21 21.957 -8.890 3.760 1.00 0.00 H new ATOM 0 HG SER A 21 22.520 -7.008 2.734 1.00 0.00 H new ATOM 320 N ILE A 22 23.603 -6.913 6.444 1.00 0.00 N ATOM 321 CA ILE A 22 23.115 -5.931 7.431 1.00 0.00 C ATOM 322 C ILE A 22 23.027 -4.548 6.749 1.00 0.00 C ATOM 323 O ILE A 22 22.140 -3.749 7.070 1.00 0.00 O ATOM 324 CB ILE A 22 24.050 -5.921 8.716 1.00 0.00 C ATOM 325 CG1 ILE A 22 23.391 -5.231 9.972 1.00 0.00 C ATOM 326 CG2 ILE A 22 25.429 -5.312 8.409 1.00 0.00 C ATOM 327 CD1 ILE A 22 23.404 -3.702 10.023 1.00 0.00 C ATOM 0 H ILE A 22 24.440 -6.608 5.947 1.00 0.00 H new ATOM 0 HA ILE A 22 22.119 -6.204 7.780 1.00 0.00 H new ATOM 0 HB ILE A 22 24.189 -6.968 8.984 1.00 0.00 H new ATOM 0 HG12 ILE A 22 22.354 -5.561 10.032 1.00 0.00 H new ATOM 0 HG13 ILE A 22 23.896 -5.602 10.864 1.00 0.00 H new ATOM 0 HG21 ILE A 22 26.040 -5.322 9.311 1.00 0.00 H new ATOM 0 HG22 ILE A 22 25.920 -5.897 7.631 1.00 0.00 H new ATOM 0 HG23 ILE A 22 25.305 -4.285 8.066 1.00 0.00 H new ATOM 0 HD11 ILE A 22 22.919 -3.364 10.939 1.00 0.00 H new ATOM 0 HD12 ILE A 22 24.434 -3.346 10.005 1.00 0.00 H new ATOM 0 HD13 ILE A 22 22.868 -3.305 9.161 1.00 0.00 H new ATOM 339 N ASP A 23 23.936 -4.287 5.782 1.00 0.00 N ATOM 340 CA ASP A 23 23.986 -2.999 5.056 1.00 0.00 C ATOM 341 C ASP A 23 24.849 -3.133 3.782 1.00 0.00 C ATOM 342 O ASP A 23 25.511 -4.149 3.579 1.00 0.00 O ATOM 343 CB ASP A 23 24.523 -1.870 6.000 1.00 0.00 C ATOM 344 CG ASP A 23 24.514 -0.460 5.378 1.00 0.00 C ATOM 345 OD1 ASP A 23 23.425 0.016 4.980 1.00 0.00 O ATOM 346 OD2 ASP A 23 25.585 0.180 5.288 1.00 0.00 O ATOM 0 H ASP A 23 24.647 -4.955 5.486 1.00 0.00 H new ATOM 0 HA ASP A 23 22.978 -2.724 4.744 1.00 0.00 H new ATOM 0 HB2 ASP A 23 23.921 -1.857 6.909 1.00 0.00 H new ATOM 0 HB3 ASP A 23 25.543 -2.116 6.297 1.00 0.00 H new ATOM 351 N VAL A 24 24.791 -2.112 2.911 1.00 0.00 N ATOM 352 CA VAL A 24 25.650 -1.985 1.721 1.00 0.00 C ATOM 353 C VAL A 24 25.854 -0.488 1.410 1.00 0.00 C ATOM 354 O VAL A 24 24.925 0.317 1.576 1.00 0.00 O ATOM 355 CB VAL A 24 25.056 -2.762 0.468 1.00 0.00 C ATOM 356 CG1 VAL A 24 23.581 -2.389 0.204 1.00 0.00 C ATOM 357 CG2 VAL A 24 25.927 -2.563 -0.804 1.00 0.00 C ATOM 0 H VAL A 24 24.135 -1.338 3.016 1.00 0.00 H new ATOM 0 HA VAL A 24 26.614 -2.447 1.934 1.00 0.00 H new ATOM 0 HB VAL A 24 25.082 -3.823 0.716 1.00 0.00 H new ATOM 0 HG11 VAL A 24 23.215 -2.943 -0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 24 22.980 -2.641 1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 24 23.506 -1.319 0.008 1.00 0.00 H new ATOM 0 HG21 VAL A 24 25.486 -3.111 -1.637 1.00 0.00 H new ATOM 0 HG22 VAL A 24 25.973 -1.502 -1.051 1.00 0.00 H new ATOM 0 HG23 VAL A 24 26.934 -2.936 -0.617 1.00 0.00 H new ATOM 367 N TYR A 25 27.087 -0.117 1.014 1.00 0.00 N ATOM 368 CA TYR A 25 27.426 1.242 0.557 1.00 0.00 C ATOM 369 C TYR A 25 28.503 1.164 -0.546 1.00 0.00 C ATOM 370 O TYR A 25 29.464 0.386 -0.429 1.00 0.00 O ATOM 371 CB TYR A 25 27.886 2.145 1.743 1.00 0.00 C ATOM 372 CG TYR A 25 29.226 1.773 2.395 1.00 0.00 C ATOM 373 CD1 TYR A 25 29.308 0.781 3.367 1.00 0.00 C ATOM 374 CD2 TYR A 25 30.415 2.422 2.039 1.00 0.00 C ATOM 375 CE1 TYR A 25 30.512 0.456 3.950 1.00 0.00 C ATOM 376 CE2 TYR A 25 31.621 2.092 2.623 1.00 0.00 C ATOM 377 CZ TYR A 25 31.663 1.107 3.580 1.00 0.00 C ATOM 378 OH TYR A 25 32.863 0.766 4.174 1.00 0.00 O ATOM 0 H TYR A 25 27.881 -0.758 1.003 1.00 0.00 H new ATOM 0 HA TYR A 25 26.532 1.704 0.140 1.00 0.00 H new ATOM 0 HB2 TYR A 25 27.952 3.173 1.386 1.00 0.00 H new ATOM 0 HB3 TYR A 25 27.113 2.123 2.511 1.00 0.00 H new ATOM 0 HD1 TYR A 25 28.413 0.258 3.669 1.00 0.00 H new ATOM 0 HD2 TYR A 25 30.387 3.199 1.290 1.00 0.00 H new ATOM 0 HE1 TYR A 25 30.552 -0.316 4.704 1.00 0.00 H new ATOM 0 HE2 TYR A 25 32.525 2.604 2.330 1.00 0.00 H new ATOM 0 HH TYR A 25 33.581 1.318 3.801 1.00 0.00 H new ATOM 388 N GLY A 26 28.311 1.961 -1.611 1.00 0.00 N ATOM 389 CA GLY A 26 29.255 2.063 -2.723 1.00 0.00 C ATOM 390 C GLY A 26 29.503 0.743 -3.448 1.00 0.00 C ATOM 391 O GLY A 26 28.634 0.238 -4.167 1.00 0.00 O ATOM 0 H GLY A 26 27.489 2.554 -1.719 1.00 0.00 H new ATOM 0 HA2 GLY A 26 28.880 2.794 -3.439 1.00 0.00 H new ATOM 0 HA3 GLY A 26 30.205 2.443 -2.347 1.00 0.00 H new ATOM 395 N ASP A 27 30.698 0.177 -3.217 1.00 0.00 N ATOM 396 CA ASP A 27 31.156 -1.070 -3.857 1.00 0.00 C ATOM 397 C ASP A 27 31.350 -2.179 -2.809 1.00 0.00 C ATOM 398 O ASP A 27 32.045 -3.161 -3.076 1.00 0.00 O ATOM 399 CB ASP A 27 32.498 -0.831 -4.616 1.00 0.00 C ATOM 400 CG ASP A 27 32.418 0.243 -5.712 1.00 0.00 C ATOM 401 OD1 ASP A 27 31.927 -0.055 -6.818 1.00 0.00 O ATOM 402 OD2 ASP A 27 32.854 1.392 -5.475 1.00 0.00 O ATOM 0 H ASP A 27 31.382 0.575 -2.574 1.00 0.00 H new ATOM 0 HA ASP A 27 30.392 -1.384 -4.568 1.00 0.00 H new ATOM 0 HB2 ASP A 27 33.264 -0.543 -3.896 1.00 0.00 H new ATOM 0 HB3 ASP A 27 32.821 -1.770 -5.066 1.00 0.00 H new ATOM 407 N TYR A 28 30.732 -2.039 -1.615 1.00 0.00 N ATOM 408 CA TYR A 28 30.968 -2.959 -0.476 1.00 0.00 C ATOM 409 C TYR A 28 29.662 -3.317 0.248 1.00 0.00 C ATOM 410 O TYR A 28 28.975 -2.442 0.782 1.00 0.00 O ATOM 411 CB TYR A 28 31.980 -2.320 0.518 1.00 0.00 C ATOM 412 CG TYR A 28 33.353 -2.056 -0.115 1.00 0.00 C ATOM 413 CD1 TYR A 28 34.186 -3.120 -0.468 1.00 0.00 C ATOM 414 CD2 TYR A 28 33.798 -0.761 -0.396 1.00 0.00 C ATOM 415 CE1 TYR A 28 35.405 -2.901 -1.065 1.00 0.00 C ATOM 416 CE2 TYR A 28 35.024 -0.543 -0.996 1.00 0.00 C ATOM 417 CZ TYR A 28 35.822 -1.618 -1.327 1.00 0.00 C ATOM 418 OH TYR A 28 37.052 -1.408 -1.911 1.00 0.00 O ATOM 0 H TYR A 28 30.064 -1.295 -1.413 1.00 0.00 H new ATOM 0 HA TYR A 28 31.385 -3.885 -0.873 1.00 0.00 H new ATOM 0 HB2 TYR A 28 31.571 -1.381 0.892 1.00 0.00 H new ATOM 0 HB3 TYR A 28 32.102 -2.979 1.378 1.00 0.00 H new ATOM 0 HD1 TYR A 28 33.867 -4.132 -0.269 1.00 0.00 H new ATOM 0 HD2 TYR A 28 33.174 0.083 -0.140 1.00 0.00 H new ATOM 0 HE1 TYR A 28 36.035 -3.738 -1.328 1.00 0.00 H new ATOM 0 HE2 TYR A 28 35.355 0.464 -1.204 1.00 0.00 H new ATOM 0 HH TYR A 28 37.197 -0.446 -2.031 1.00 0.00 H new ATOM 428 N LEU A 29 29.333 -4.619 0.243 1.00 0.00 N ATOM 429 CA LEU A 29 28.223 -5.190 1.012 1.00 0.00 C ATOM 430 C LEU A 29 28.721 -5.581 2.416 1.00 0.00 C ATOM 431 O LEU A 29 29.588 -6.451 2.546 1.00 0.00 O ATOM 432 CB LEU A 29 27.664 -6.447 0.292 1.00 0.00 C ATOM 433 CG LEU A 29 26.509 -7.194 1.035 1.00 0.00 C ATOM 434 CD1 LEU A 29 25.207 -6.375 1.040 1.00 0.00 C ATOM 435 CD2 LEU A 29 26.280 -8.590 0.445 1.00 0.00 C ATOM 0 H LEU A 29 29.841 -5.313 -0.305 1.00 0.00 H new ATOM 0 HA LEU A 29 27.429 -4.448 1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 29 27.305 -6.150 -0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 29 28.484 -7.148 0.135 1.00 0.00 H new ATOM 0 HG LEU A 29 26.820 -7.314 2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 29 24.430 -6.930 1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 29 25.378 -5.424 1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 29 24.889 -6.190 0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 29 25.471 -9.084 0.983 1.00 0.00 H new ATOM 0 HD22 LEU A 29 26.014 -8.501 -0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 29 27.192 -9.179 0.540 1.00 0.00 H new ATOM 447 N ILE A 30 28.176 -4.933 3.452 1.00 0.00 N ATOM 448 CA ILE A 30 28.501 -5.242 4.851 1.00 0.00 C ATOM 449 C ILE A 30 27.736 -6.501 5.300 1.00 0.00 C ATOM 450 O ILE A 30 26.490 -6.488 5.416 1.00 0.00 O ATOM 451 CB ILE A 30 28.157 -4.047 5.812 1.00 0.00 C ATOM 452 CG1 ILE A 30 28.806 -2.725 5.311 1.00 0.00 C ATOM 453 CG2 ILE A 30 28.611 -4.365 7.260 1.00 0.00 C ATOM 454 CD1 ILE A 30 30.320 -2.748 5.324 1.00 0.00 C ATOM 0 H ILE A 30 27.497 -4.179 3.345 1.00 0.00 H new ATOM 0 HA ILE A 30 29.575 -5.418 4.907 1.00 0.00 H new ATOM 0 HB ILE A 30 27.075 -3.912 5.812 1.00 0.00 H new ATOM 0 HG12 ILE A 30 28.463 -2.524 4.296 1.00 0.00 H new ATOM 0 HG13 ILE A 30 28.458 -1.901 5.934 1.00 0.00 H new ATOM 0 HG21 ILE A 30 28.365 -3.526 7.911 1.00 0.00 H new ATOM 0 HG22 ILE A 30 28.100 -5.261 7.613 1.00 0.00 H new ATOM 0 HG23 ILE A 30 29.688 -4.532 7.275 1.00 0.00 H new ATOM 0 HD11 ILE A 30 30.702 -1.793 4.962 1.00 0.00 H new ATOM 0 HD12 ILE A 30 30.673 -2.917 6.341 1.00 0.00 H new ATOM 0 HD13 ILE A 30 30.677 -3.550 4.678 1.00 0.00 H new ATOM 466 N VAL A 31 28.505 -7.580 5.533 1.00 0.00 N ATOM 467 CA VAL A 31 27.998 -8.890 5.951 1.00 0.00 C ATOM 468 C VAL A 31 28.427 -9.178 7.400 1.00 0.00 C ATOM 469 O VAL A 31 29.619 -9.124 7.717 1.00 0.00 O ATOM 470 CB VAL A 31 28.551 -10.025 5.007 1.00 0.00 C ATOM 471 CG1 VAL A 31 27.957 -11.408 5.365 1.00 0.00 C ATOM 472 CG2 VAL A 31 28.314 -9.666 3.521 1.00 0.00 C ATOM 0 H VAL A 31 29.520 -7.560 5.432 1.00 0.00 H new ATOM 0 HA VAL A 31 26.910 -8.875 5.886 1.00 0.00 H new ATOM 0 HB VAL A 31 29.627 -10.095 5.165 1.00 0.00 H new ATOM 0 HG11 VAL A 31 28.363 -12.163 4.692 1.00 0.00 H new ATOM 0 HG12 VAL A 31 28.217 -11.661 6.393 1.00 0.00 H new ATOM 0 HG13 VAL A 31 26.872 -11.376 5.263 1.00 0.00 H new ATOM 0 HG21 VAL A 31 28.703 -10.463 2.888 1.00 0.00 H new ATOM 0 HG22 VAL A 31 27.245 -9.549 3.341 1.00 0.00 H new ATOM 0 HG23 VAL A 31 28.826 -8.733 3.286 1.00 0.00 H new ATOM 482 N LYS A 32 27.450 -9.474 8.268 1.00 0.00 N ATOM 483 CA LYS A 32 27.701 -9.977 9.628 1.00 0.00 C ATOM 484 C LYS A 32 28.143 -11.453 9.558 1.00 0.00 C ATOM 485 O LYS A 32 27.454 -12.293 8.969 1.00 0.00 O ATOM 486 CB LYS A 32 26.426 -9.822 10.513 1.00 0.00 C ATOM 487 CG LYS A 32 26.368 -10.711 11.793 1.00 0.00 C ATOM 488 CD LYS A 32 27.513 -10.470 12.813 1.00 0.00 C ATOM 489 CE LYS A 32 27.433 -9.101 13.493 1.00 0.00 C ATOM 490 NZ LYS A 32 26.160 -8.918 14.243 1.00 0.00 N ATOM 0 H LYS A 32 26.460 -9.371 8.047 1.00 0.00 H new ATOM 0 HA LYS A 32 28.498 -9.391 10.085 1.00 0.00 H new ATOM 0 HB2 LYS A 32 26.343 -8.778 10.816 1.00 0.00 H new ATOM 0 HB3 LYS A 32 25.553 -10.046 9.900 1.00 0.00 H new ATOM 0 HG2 LYS A 32 25.415 -10.540 12.293 1.00 0.00 H new ATOM 0 HG3 LYS A 32 26.386 -11.758 11.491 1.00 0.00 H new ATOM 0 HD2 LYS A 32 27.483 -11.249 13.574 1.00 0.00 H new ATOM 0 HD3 LYS A 32 28.472 -10.560 12.302 1.00 0.00 H new ATOM 0 HE2 LYS A 32 28.275 -8.987 14.176 1.00 0.00 H new ATOM 0 HE3 LYS A 32 27.525 -8.318 12.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 26.237 -8.085 14.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 25.378 -8.780 13.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 25.974 -9.762 14.822 1.00 0.00 H new ATOM 504 N VAL A 33 29.316 -11.725 10.158 1.00 0.00 N ATOM 505 CA VAL A 33 29.908 -13.063 10.299 1.00 0.00 C ATOM 506 C VAL A 33 30.442 -13.227 11.744 1.00 0.00 C ATOM 507 O VAL A 33 31.430 -12.591 12.135 1.00 0.00 O ATOM 508 CB VAL A 33 31.048 -13.304 9.224 1.00 0.00 C ATOM 509 CG1 VAL A 33 30.433 -13.559 7.833 1.00 0.00 C ATOM 510 CG2 VAL A 33 32.039 -12.111 9.155 1.00 0.00 C ATOM 0 H VAL A 33 29.895 -10.994 10.571 1.00 0.00 H new ATOM 0 HA VAL A 33 29.143 -13.818 10.115 1.00 0.00 H new ATOM 0 HB VAL A 33 31.608 -14.185 9.537 1.00 0.00 H new ATOM 0 HG11 VAL A 33 31.230 -13.722 7.107 1.00 0.00 H new ATOM 0 HG12 VAL A 33 29.793 -14.441 7.874 1.00 0.00 H new ATOM 0 HG13 VAL A 33 29.841 -12.695 7.533 1.00 0.00 H new ATOM 0 HG21 VAL A 33 32.804 -12.316 8.406 1.00 0.00 H new ATOM 0 HG22 VAL A 33 31.499 -11.204 8.882 1.00 0.00 H new ATOM 0 HG23 VAL A 33 32.511 -11.973 10.128 1.00 0.00 H new ATOM 520 N GLY A 34 29.737 -14.050 12.546 1.00 0.00 N ATOM 521 CA GLY A 34 30.079 -14.266 13.959 1.00 0.00 C ATOM 522 C GLY A 34 29.793 -13.037 14.827 1.00 0.00 C ATOM 523 O GLY A 34 28.630 -12.743 15.129 1.00 0.00 O ATOM 0 H GLY A 34 28.922 -14.578 12.232 1.00 0.00 H new ATOM 0 HA2 GLY A 34 29.513 -15.116 14.341 1.00 0.00 H new ATOM 0 HA3 GLY A 34 31.135 -14.525 14.038 1.00 0.00 H new ATOM 527 N THR A 35 30.864 -12.319 15.220 1.00 0.00 N ATOM 528 CA THR A 35 30.783 -11.066 16.008 1.00 0.00 C ATOM 529 C THR A 35 31.198 -9.851 15.151 1.00 0.00 C ATOM 530 O THR A 35 31.059 -8.698 15.577 1.00 0.00 O ATOM 531 CB THR A 35 31.705 -11.144 17.281 1.00 0.00 C ATOM 532 OG1 THR A 35 33.087 -11.310 16.901 1.00 0.00 O ATOM 533 CG2 THR A 35 31.304 -12.306 18.212 1.00 0.00 C ATOM 0 H THR A 35 31.821 -12.593 14.998 1.00 0.00 H new ATOM 0 HA THR A 35 29.747 -10.943 16.324 1.00 0.00 H new ATOM 0 HB THR A 35 31.577 -10.204 17.818 1.00 0.00 H new ATOM 0 HG1 THR A 35 33.428 -10.469 16.531 1.00 0.00 H new ATOM 0 HG21 THR A 35 31.966 -12.323 19.078 1.00 0.00 H new ATOM 0 HG22 THR A 35 30.275 -12.168 18.544 1.00 0.00 H new ATOM 0 HG23 THR A 35 31.387 -13.250 17.673 1.00 0.00 H new ATOM 541 N GLU A 36 31.664 -10.127 13.920 1.00 0.00 N ATOM 542 CA GLU A 36 32.363 -9.148 13.071 1.00 0.00 C ATOM 543 C GLU A 36 31.489 -8.737 11.876 1.00 0.00 C ATOM 544 O GLU A 36 30.485 -9.386 11.570 1.00 0.00 O ATOM 545 CB GLU A 36 33.687 -9.782 12.562 1.00 0.00 C ATOM 546 CG GLU A 36 34.631 -10.296 13.672 1.00 0.00 C ATOM 547 CD GLU A 36 35.200 -9.175 14.563 1.00 0.00 C ATOM 548 OE1 GLU A 36 36.183 -8.526 14.145 1.00 0.00 O ATOM 549 OE2 GLU A 36 34.661 -8.925 15.666 1.00 0.00 O ATOM 0 H GLU A 36 31.565 -11.044 13.484 1.00 0.00 H new ATOM 0 HA GLU A 36 32.575 -8.254 13.658 1.00 0.00 H new ATOM 0 HB2 GLU A 36 33.444 -10.612 11.899 1.00 0.00 H new ATOM 0 HB3 GLU A 36 34.221 -9.043 11.965 1.00 0.00 H new ATOM 0 HG2 GLU A 36 34.091 -11.007 14.297 1.00 0.00 H new ATOM 0 HG3 GLU A 36 35.457 -10.839 13.213 1.00 0.00 H new ATOM 556 N PHE A 37 31.892 -7.640 11.217 1.00 0.00 N ATOM 557 CA PHE A 37 31.275 -7.153 9.976 1.00 0.00 C ATOM 558 C PHE A 37 32.368 -7.063 8.899 1.00 0.00 C ATOM 559 O PHE A 37 33.283 -6.236 9.003 1.00 0.00 O ATOM 560 CB PHE A 37 30.620 -5.765 10.191 1.00 0.00 C ATOM 561 CG PHE A 37 29.461 -5.737 11.195 1.00 0.00 C ATOM 562 CD1 PHE A 37 29.689 -5.503 12.553 1.00 0.00 C ATOM 563 CD2 PHE A 37 28.143 -5.914 10.778 1.00 0.00 C ATOM 564 CE1 PHE A 37 28.642 -5.446 13.454 1.00 0.00 C ATOM 565 CE2 PHE A 37 27.096 -5.854 11.681 1.00 0.00 C ATOM 566 CZ PHE A 37 27.347 -5.618 13.017 1.00 0.00 C ATOM 0 H PHE A 37 32.667 -7.059 11.537 1.00 0.00 H new ATOM 0 HA PHE A 37 30.491 -7.842 9.663 1.00 0.00 H new ATOM 0 HB2 PHE A 37 31.387 -5.067 10.527 1.00 0.00 H new ATOM 0 HB3 PHE A 37 30.256 -5.400 9.230 1.00 0.00 H new ATOM 0 HD1 PHE A 37 30.700 -5.364 12.905 1.00 0.00 H new ATOM 0 HD2 PHE A 37 27.936 -6.101 9.735 1.00 0.00 H new ATOM 0 HE1 PHE A 37 28.839 -5.267 14.501 1.00 0.00 H new ATOM 0 HE2 PHE A 37 26.081 -5.992 11.339 1.00 0.00 H new ATOM 0 HZ PHE A 37 26.529 -5.568 13.720 1.00 0.00 H new ATOM 576 N LEU A 38 32.282 -7.948 7.899 1.00 0.00 N ATOM 577 CA LEU A 38 33.201 -7.992 6.747 1.00 0.00 C ATOM 578 C LEU A 38 32.510 -7.378 5.518 1.00 0.00 C ATOM 579 O LEU A 38 31.476 -7.884 5.059 1.00 0.00 O ATOM 580 CB LEU A 38 33.667 -9.463 6.468 1.00 0.00 C ATOM 581 CG LEU A 38 34.967 -9.934 7.212 1.00 0.00 C ATOM 582 CD1 LEU A 38 34.872 -9.746 8.743 1.00 0.00 C ATOM 583 CD2 LEU A 38 35.312 -11.399 6.844 1.00 0.00 C ATOM 0 H LEU A 38 31.560 -8.668 7.864 1.00 0.00 H new ATOM 0 HA LEU A 38 34.093 -7.407 6.972 1.00 0.00 H new ATOM 0 HB2 LEU A 38 32.854 -10.137 6.740 1.00 0.00 H new ATOM 0 HB3 LEU A 38 33.828 -9.573 5.396 1.00 0.00 H new ATOM 0 HG LEU A 38 35.781 -9.294 6.871 1.00 0.00 H new ATOM 0 HD11 LEU A 38 35.796 -10.087 9.209 1.00 0.00 H new ATOM 0 HD12 LEU A 38 34.718 -8.691 8.971 1.00 0.00 H new ATOM 0 HD13 LEU A 38 34.035 -10.327 9.130 1.00 0.00 H new ATOM 0 HD21 LEU A 38 36.216 -11.703 7.371 1.00 0.00 H new ATOM 0 HD22 LEU A 38 34.487 -12.051 7.132 1.00 0.00 H new ATOM 0 HD23 LEU A 38 35.476 -11.475 5.769 1.00 0.00 H new ATOM 595 N ALA A 39 33.086 -6.271 5.017 1.00 0.00 N ATOM 596 CA ALA A 39 32.618 -5.596 3.805 1.00 0.00 C ATOM 597 C ALA A 39 33.090 -6.361 2.564 1.00 0.00 C ATOM 598 O ALA A 39 34.195 -6.126 2.055 1.00 0.00 O ATOM 599 CB ALA A 39 33.128 -4.149 3.779 1.00 0.00 C ATOM 0 H ALA A 39 33.894 -5.821 5.448 1.00 0.00 H new ATOM 0 HA ALA A 39 31.528 -5.576 3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 39 32.775 -3.655 2.874 1.00 0.00 H new ATOM 0 HB2 ALA A 39 32.754 -3.616 4.653 1.00 0.00 H new ATOM 0 HB3 ALA A 39 34.218 -4.147 3.792 1.00 0.00 H new ATOM 605 N VAL A 40 32.246 -7.286 2.104 1.00 0.00 N ATOM 606 CA VAL A 40 32.513 -8.095 0.913 1.00 0.00 C ATOM 607 C VAL A 40 32.305 -7.224 -0.347 1.00 0.00 C ATOM 608 O VAL A 40 31.193 -6.718 -0.555 1.00 0.00 O ATOM 609 CB VAL A 40 31.587 -9.373 0.869 1.00 0.00 C ATOM 610 CG1 VAL A 40 31.884 -10.260 -0.370 1.00 0.00 C ATOM 611 CG2 VAL A 40 31.714 -10.182 2.184 1.00 0.00 C ATOM 0 H VAL A 40 31.353 -7.496 2.550 1.00 0.00 H new ATOM 0 HA VAL A 40 33.545 -8.445 0.947 1.00 0.00 H new ATOM 0 HB VAL A 40 30.556 -9.032 0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 40 31.225 -11.128 -0.362 1.00 0.00 H new ATOM 0 HG12 VAL A 40 31.714 -9.684 -1.279 1.00 0.00 H new ATOM 0 HG13 VAL A 40 32.922 -10.592 -0.340 1.00 0.00 H new ATOM 0 HG21 VAL A 40 31.069 -11.059 2.135 1.00 0.00 H new ATOM 0 HG22 VAL A 40 32.748 -10.499 2.318 1.00 0.00 H new ATOM 0 HG23 VAL A 40 31.415 -9.558 3.026 1.00 0.00 H new ATOM 621 N PRO A 41 33.371 -7.013 -1.195 1.00 0.00 N ATOM 622 CA PRO A 41 33.266 -6.173 -2.413 1.00 0.00 C ATOM 623 C PRO A 41 32.220 -6.731 -3.402 1.00 0.00 C ATOM 624 O PRO A 41 32.075 -7.946 -3.529 1.00 0.00 O ATOM 625 CB PRO A 41 34.699 -6.210 -3.009 1.00 0.00 C ATOM 626 CG PRO A 41 35.309 -7.455 -2.446 1.00 0.00 C ATOM 627 CD PRO A 41 34.743 -7.583 -1.048 1.00 0.00 C ATOM 0 HA PRO A 41 32.929 -5.159 -2.196 1.00 0.00 H new ATOM 0 HB2 PRO A 41 34.675 -6.238 -4.098 1.00 0.00 H new ATOM 0 HB3 PRO A 41 35.269 -5.326 -2.725 1.00 0.00 H new ATOM 0 HG2 PRO A 41 35.058 -8.325 -3.053 1.00 0.00 H new ATOM 0 HG3 PRO A 41 36.397 -7.385 -2.425 1.00 0.00 H new ATOM 0 HD2 PRO A 41 34.717 -8.621 -0.715 1.00 0.00 H new ATOM 0 HD3 PRO A 41 35.335 -7.030 -0.319 1.00 0.00 H new ATOM 635 N LYS A 42 31.515 -5.823 -4.103 1.00 0.00 N ATOM 636 CA LYS A 42 30.426 -6.163 -5.046 1.00 0.00 C ATOM 637 C LYS A 42 30.922 -7.030 -6.221 1.00 0.00 C ATOM 638 O LYS A 42 30.145 -7.765 -6.823 1.00 0.00 O ATOM 639 CB LYS A 42 29.729 -4.868 -5.563 1.00 0.00 C ATOM 640 CG LYS A 42 28.867 -4.119 -4.512 1.00 0.00 C ATOM 641 CD LYS A 42 27.657 -4.942 -3.997 1.00 0.00 C ATOM 642 CE LYS A 42 26.707 -5.403 -5.127 1.00 0.00 C ATOM 643 NZ LYS A 42 26.238 -4.271 -5.977 1.00 0.00 N ATOM 0 H LYS A 42 31.686 -4.820 -4.031 1.00 0.00 H new ATOM 0 HA LYS A 42 29.695 -6.759 -4.500 1.00 0.00 H new ATOM 0 HB2 LYS A 42 30.494 -4.186 -5.935 1.00 0.00 H new ATOM 0 HB3 LYS A 42 29.095 -5.129 -6.410 1.00 0.00 H new ATOM 0 HG2 LYS A 42 29.497 -3.847 -3.665 1.00 0.00 H new ATOM 0 HG3 LYS A 42 28.503 -3.189 -4.950 1.00 0.00 H new ATOM 0 HD2 LYS A 42 28.023 -5.817 -3.460 1.00 0.00 H new ATOM 0 HD3 LYS A 42 27.095 -4.341 -3.282 1.00 0.00 H new ATOM 0 HE2 LYS A 42 27.219 -6.134 -5.752 1.00 0.00 H new ATOM 0 HE3 LYS A 42 25.845 -5.906 -4.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 25.540 -4.619 -6.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 25.800 -3.544 -5.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 27.047 -3.859 -6.484 1.00 0.00 H new ATOM 657 N LYS A 43 32.224 -6.938 -6.519 1.00 0.00 N ATOM 658 CA LYS A 43 32.883 -7.752 -7.560 1.00 0.00 C ATOM 659 C LYS A 43 33.056 -9.227 -7.116 1.00 0.00 C ATOM 660 O LYS A 43 33.243 -10.111 -7.952 1.00 0.00 O ATOM 661 CB LYS A 43 34.246 -7.122 -7.926 1.00 0.00 C ATOM 662 CG LYS A 43 35.270 -7.076 -6.770 1.00 0.00 C ATOM 663 CD LYS A 43 36.556 -6.292 -7.134 1.00 0.00 C ATOM 664 CE LYS A 43 37.283 -6.852 -8.371 1.00 0.00 C ATOM 665 NZ LYS A 43 37.648 -8.284 -8.205 1.00 0.00 N ATOM 0 H LYS A 43 32.857 -6.294 -6.045 1.00 0.00 H new ATOM 0 HA LYS A 43 32.243 -7.761 -8.442 1.00 0.00 H new ATOM 0 HB2 LYS A 43 34.679 -7.683 -8.754 1.00 0.00 H new ATOM 0 HB3 LYS A 43 34.077 -6.106 -8.283 1.00 0.00 H new ATOM 0 HG2 LYS A 43 34.805 -6.616 -5.898 1.00 0.00 H new ATOM 0 HG3 LYS A 43 35.539 -8.094 -6.489 1.00 0.00 H new ATOM 0 HD2 LYS A 43 36.298 -5.249 -7.315 1.00 0.00 H new ATOM 0 HD3 LYS A 43 37.237 -6.309 -6.283 1.00 0.00 H new ATOM 0 HE2 LYS A 43 36.645 -6.740 -9.247 1.00 0.00 H new ATOM 0 HE3 LYS A 43 38.184 -6.268 -8.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 38.180 -8.606 -9.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 38.237 -8.396 -7.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 36.783 -8.853 -8.105 1.00 0.00 H new ATOM 679 N SER A 44 33.028 -9.470 -5.791 1.00 0.00 N ATOM 680 CA SER A 44 33.034 -10.834 -5.221 1.00 0.00 C ATOM 681 C SER A 44 31.630 -11.466 -5.318 1.00 0.00 C ATOM 682 O SER A 44 31.508 -12.695 -5.401 1.00 0.00 O ATOM 683 CB SER A 44 33.522 -10.813 -3.755 1.00 0.00 C ATOM 684 OG SER A 44 33.591 -12.120 -3.199 1.00 0.00 O ATOM 0 H SER A 44 33.001 -8.731 -5.088 1.00 0.00 H new ATOM 0 HA SER A 44 33.727 -11.444 -5.800 1.00 0.00 H new ATOM 0 HB2 SER A 44 34.506 -10.346 -3.707 1.00 0.00 H new ATOM 0 HB3 SER A 44 32.848 -10.199 -3.157 1.00 0.00 H new ATOM 0 HG SER A 44 34.448 -12.532 -3.437 1.00 0.00 H new ATOM 690 N ILE A 45 30.579 -10.608 -5.310 1.00 0.00 N ATOM 691 CA ILE A 45 29.184 -11.049 -5.500 1.00 0.00 C ATOM 692 C ILE A 45 29.046 -11.610 -6.933 1.00 0.00 C ATOM 693 O ILE A 45 29.249 -10.886 -7.919 1.00 0.00 O ATOM 694 CB ILE A 45 28.127 -9.875 -5.244 1.00 0.00 C ATOM 695 CG1 ILE A 45 27.965 -9.518 -3.719 1.00 0.00 C ATOM 696 CG2 ILE A 45 26.731 -10.224 -5.835 1.00 0.00 C ATOM 697 CD1 ILE A 45 29.199 -9.030 -2.987 1.00 0.00 C ATOM 0 H ILE A 45 30.678 -9.602 -5.173 1.00 0.00 H new ATOM 0 HA ILE A 45 28.958 -11.821 -4.764 1.00 0.00 H new ATOM 0 HB ILE A 45 28.533 -9.002 -5.756 1.00 0.00 H new ATOM 0 HG12 ILE A 45 27.195 -8.751 -3.631 1.00 0.00 H new ATOM 0 HG13 ILE A 45 27.594 -10.403 -3.202 1.00 0.00 H new ATOM 0 HG21 ILE A 45 26.039 -9.404 -5.642 1.00 0.00 H new ATOM 0 HG22 ILE A 45 26.820 -10.379 -6.910 1.00 0.00 H new ATOM 0 HG23 ILE A 45 26.355 -11.134 -5.367 1.00 0.00 H new ATOM 0 HD11 ILE A 45 28.947 -8.821 -1.947 1.00 0.00 H new ATOM 0 HD12 ILE A 45 29.972 -9.797 -3.025 1.00 0.00 H new ATOM 0 HD13 ILE A 45 29.567 -8.120 -3.461 1.00 0.00 H new ATOM 709 N LYS A 46 28.766 -12.919 -7.020 1.00 0.00 N ATOM 710 CA LYS A 46 28.508 -13.622 -8.286 1.00 0.00 C ATOM 711 C LYS A 46 27.171 -13.149 -8.881 1.00 0.00 C ATOM 712 O LYS A 46 27.120 -12.697 -10.030 1.00 0.00 O ATOM 713 CB LYS A 46 28.487 -15.159 -8.050 1.00 0.00 C ATOM 714 CG LYS A 46 29.750 -15.733 -7.371 1.00 0.00 C ATOM 715 CD LYS A 46 31.045 -15.455 -8.166 1.00 0.00 C ATOM 716 CE LYS A 46 32.280 -16.104 -7.522 1.00 0.00 C ATOM 717 NZ LYS A 46 33.534 -15.815 -8.267 1.00 0.00 N ATOM 0 H LYS A 46 28.712 -13.527 -6.203 1.00 0.00 H new ATOM 0 HA LYS A 46 29.306 -13.393 -8.992 1.00 0.00 H new ATOM 0 HB2 LYS A 46 27.620 -15.405 -7.437 1.00 0.00 H new ATOM 0 HB3 LYS A 46 28.351 -15.657 -9.010 1.00 0.00 H new ATOM 0 HG2 LYS A 46 29.845 -15.305 -6.373 1.00 0.00 H new ATOM 0 HG3 LYS A 46 29.631 -16.809 -7.247 1.00 0.00 H new ATOM 0 HD2 LYS A 46 30.931 -15.829 -9.183 1.00 0.00 H new ATOM 0 HD3 LYS A 46 31.200 -14.378 -8.238 1.00 0.00 H new ATOM 0 HE2 LYS A 46 32.380 -15.747 -6.497 1.00 0.00 H new ATOM 0 HE3 LYS A 46 32.133 -17.183 -7.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 34.333 -16.290 -7.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 33.446 -16.164 -9.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 33.701 -14.789 -8.280 1.00 0.00 H new ATOM 731 N SER A 47 26.106 -13.234 -8.059 1.00 0.00 N ATOM 732 CA SER A 47 24.738 -12.864 -8.455 1.00 0.00 C ATOM 733 C SER A 47 23.868 -12.576 -7.217 1.00 0.00 C ATOM 734 O SER A 47 24.025 -13.219 -6.167 1.00 0.00 O ATOM 735 CB SER A 47 24.084 -13.994 -9.294 1.00 0.00 C ATOM 736 OG SER A 47 24.753 -14.189 -10.529 1.00 0.00 O ATOM 0 H SER A 47 26.174 -13.564 -7.096 1.00 0.00 H new ATOM 0 HA SER A 47 24.802 -11.961 -9.062 1.00 0.00 H new ATOM 0 HB2 SER A 47 24.096 -14.923 -8.724 1.00 0.00 H new ATOM 0 HB3 SER A 47 23.039 -13.748 -9.482 1.00 0.00 H new ATOM 0 HG SER A 47 25.540 -13.607 -10.570 1.00 0.00 H new ATOM 742 N VAL A 48 22.973 -11.580 -7.350 1.00 0.00 N ATOM 743 CA VAL A 48 21.900 -11.317 -6.372 1.00 0.00 C ATOM 744 C VAL A 48 20.677 -12.206 -6.716 1.00 0.00 C ATOM 745 O VAL A 48 20.087 -12.098 -7.799 1.00 0.00 O ATOM 746 CB VAL A 48 21.512 -9.778 -6.296 1.00 0.00 C ATOM 747 CG1 VAL A 48 21.198 -9.172 -7.689 1.00 0.00 C ATOM 748 CG2 VAL A 48 20.341 -9.541 -5.300 1.00 0.00 C ATOM 0 H VAL A 48 22.973 -10.934 -8.139 1.00 0.00 H new ATOM 0 HA VAL A 48 22.263 -11.575 -5.377 1.00 0.00 H new ATOM 0 HB VAL A 48 22.390 -9.253 -5.919 1.00 0.00 H new ATOM 0 HG11 VAL A 48 20.939 -8.119 -7.578 1.00 0.00 H new ATOM 0 HG12 VAL A 48 22.073 -9.265 -8.332 1.00 0.00 H new ATOM 0 HG13 VAL A 48 20.360 -9.706 -8.138 1.00 0.00 H new ATOM 0 HG21 VAL A 48 20.098 -8.479 -5.270 1.00 0.00 H new ATOM 0 HG22 VAL A 48 19.466 -10.104 -5.626 1.00 0.00 H new ATOM 0 HG23 VAL A 48 20.637 -9.874 -4.305 1.00 0.00 H new ATOM 758 N GLU A 49 20.352 -13.122 -5.794 1.00 0.00 N ATOM 759 CA GLU A 49 19.278 -14.124 -5.963 1.00 0.00 C ATOM 760 C GLU A 49 18.064 -13.777 -5.074 1.00 0.00 C ATOM 761 O GLU A 49 18.091 -12.786 -4.325 1.00 0.00 O ATOM 762 CB GLU A 49 19.838 -15.532 -5.607 1.00 0.00 C ATOM 763 CG GLU A 49 21.124 -15.933 -6.366 1.00 0.00 C ATOM 764 CD GLU A 49 20.916 -16.157 -7.874 1.00 0.00 C ATOM 765 OE1 GLU A 49 21.019 -15.195 -8.653 1.00 0.00 O ATOM 766 OE2 GLU A 49 20.645 -17.307 -8.289 1.00 0.00 O ATOM 0 H GLU A 49 20.831 -13.193 -4.896 1.00 0.00 H new ATOM 0 HA GLU A 49 18.940 -14.122 -6.999 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.040 -15.566 -4.536 1.00 0.00 H new ATOM 0 HB3 GLU A 49 19.067 -16.275 -5.810 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.875 -15.155 -6.225 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.524 -16.846 -5.925 1.00 0.00 H new ATOM 773 N ASP A 50 17.002 -14.608 -5.161 1.00 0.00 N ATOM 774 CA ASP A 50 15.766 -14.431 -4.365 1.00 0.00 C ATOM 775 C ASP A 50 16.060 -14.654 -2.871 1.00 0.00 C ATOM 776 O ASP A 50 16.106 -15.796 -2.407 1.00 0.00 O ATOM 777 CB ASP A 50 14.642 -15.401 -4.837 1.00 0.00 C ATOM 778 CG ASP A 50 14.241 -15.208 -6.308 1.00 0.00 C ATOM 779 OD1 ASP A 50 13.556 -14.214 -6.626 1.00 0.00 O ATOM 780 OD2 ASP A 50 14.612 -16.043 -7.159 1.00 0.00 O ATOM 0 H ASP A 50 16.977 -15.417 -5.782 1.00 0.00 H new ATOM 0 HA ASP A 50 15.416 -13.410 -4.515 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.976 -16.428 -4.692 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.763 -15.259 -4.208 1.00 0.00 H new ATOM 785 N GLY A 51 16.313 -13.552 -2.142 1.00 0.00 N ATOM 786 CA GLY A 51 16.611 -13.609 -0.706 1.00 0.00 C ATOM 787 C GLY A 51 18.016 -14.125 -0.399 1.00 0.00 C ATOM 788 O GLY A 51 18.323 -14.459 0.752 1.00 0.00 O ATOM 0 H GLY A 51 16.316 -12.609 -2.530 1.00 0.00 H new ATOM 0 HA2 GLY A 51 16.496 -12.613 -0.279 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.880 -14.252 -0.216 1.00 0.00 H new ATOM 792 N ARG A 52 18.871 -14.178 -1.437 1.00 0.00 N ATOM 793 CA ARG A 52 20.264 -14.632 -1.319 1.00 0.00 C ATOM 794 C ARG A 52 21.205 -13.620 -1.969 1.00 0.00 C ATOM 795 O ARG A 52 20.835 -12.925 -2.920 1.00 0.00 O ATOM 796 CB ARG A 52 20.483 -16.015 -2.002 1.00 0.00 C ATOM 797 CG ARG A 52 19.842 -17.221 -1.298 1.00 0.00 C ATOM 798 CD ARG A 52 20.140 -18.552 -2.026 1.00 0.00 C ATOM 799 NE ARG A 52 21.588 -18.746 -2.282 1.00 0.00 N ATOM 800 CZ ARG A 52 22.210 -19.929 -2.402 1.00 0.00 C ATOM 801 NH1 ARG A 52 21.558 -21.067 -2.209 1.00 0.00 N ATOM 802 NH2 ARG A 52 23.497 -19.966 -2.712 1.00 0.00 N ATOM 0 H ARG A 52 18.611 -13.905 -2.385 1.00 0.00 H new ATOM 0 HA ARG A 52 20.479 -14.726 -0.255 1.00 0.00 H new ATOM 0 HB2 ARG A 52 20.092 -15.962 -3.018 1.00 0.00 H new ATOM 0 HB3 ARG A 52 21.555 -16.193 -2.082 1.00 0.00 H new ATOM 0 HG2 ARG A 52 20.211 -17.279 -0.274 1.00 0.00 H new ATOM 0 HG3 ARG A 52 18.763 -17.074 -1.241 1.00 0.00 H new ATOM 0 HD2 ARG A 52 19.766 -19.382 -1.427 1.00 0.00 H new ATOM 0 HD3 ARG A 52 19.601 -18.573 -2.973 1.00 0.00 H new ATOM 0 HE ARG A 52 22.161 -17.907 -2.375 1.00 0.00 H new ATOM 0 HH11 ARG A 52 20.568 -21.052 -1.965 1.00 0.00 H new ATOM 0 HH12 ARG A 52 22.047 -21.957 -2.304 1.00 0.00 H new ATOM 0 HH21 ARG A 52 24.011 -19.098 -2.859 1.00 0.00 H new ATOM 0 HH22 ARG A 52 23.974 -20.863 -2.804 1.00 0.00 H new ATOM 816 N ILE A 53 22.420 -13.547 -1.425 1.00 0.00 N ATOM 817 CA ILE A 53 23.560 -12.903 -2.064 1.00 0.00 C ATOM 818 C ILE A 53 24.643 -13.977 -2.245 1.00 0.00 C ATOM 819 O ILE A 53 25.292 -14.385 -1.270 1.00 0.00 O ATOM 820 CB ILE A 53 24.136 -11.709 -1.210 1.00 0.00 C ATOM 821 CG1 ILE A 53 23.066 -10.595 -0.952 1.00 0.00 C ATOM 822 CG2 ILE A 53 25.391 -11.121 -1.889 1.00 0.00 C ATOM 823 CD1 ILE A 53 22.582 -9.863 -2.197 1.00 0.00 C ATOM 0 H ILE A 53 22.640 -13.942 -0.511 1.00 0.00 H new ATOM 0 HA ILE A 53 23.242 -12.479 -3.016 1.00 0.00 H new ATOM 0 HB ILE A 53 24.417 -12.109 -0.236 1.00 0.00 H new ATOM 0 HG12 ILE A 53 22.206 -11.047 -0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 53 23.484 -9.865 -0.260 1.00 0.00 H new ATOM 0 HG21 ILE A 53 25.778 -10.298 -1.288 1.00 0.00 H new ATOM 0 HG22 ILE A 53 26.153 -11.895 -1.977 1.00 0.00 H new ATOM 0 HG23 ILE A 53 25.130 -10.754 -2.882 1.00 0.00 H new ATOM 0 HD11 ILE A 53 21.844 -9.112 -1.914 1.00 0.00 H new ATOM 0 HD12 ILE A 53 23.427 -9.376 -2.684 1.00 0.00 H new ATOM 0 HD13 ILE A 53 22.128 -10.576 -2.885 1.00 0.00 H new ATOM 835 N VAL A 54 24.807 -14.468 -3.481 1.00 0.00 N ATOM 836 CA VAL A 54 25.853 -15.447 -3.792 1.00 0.00 C ATOM 837 C VAL A 54 27.161 -14.700 -4.062 1.00 0.00 C ATOM 838 O VAL A 54 27.238 -13.921 -5.004 1.00 0.00 O ATOM 839 CB VAL A 54 25.464 -16.371 -5.006 1.00 0.00 C ATOM 840 CG1 VAL A 54 26.599 -17.377 -5.336 1.00 0.00 C ATOM 841 CG2 VAL A 54 24.133 -17.109 -4.710 1.00 0.00 C ATOM 0 H VAL A 54 24.229 -14.203 -4.279 1.00 0.00 H new ATOM 0 HA VAL A 54 25.976 -16.110 -2.935 1.00 0.00 H new ATOM 0 HB VAL A 54 25.324 -15.741 -5.884 1.00 0.00 H new ATOM 0 HG11 VAL A 54 26.299 -18.000 -6.179 1.00 0.00 H new ATOM 0 HG12 VAL A 54 27.506 -16.830 -5.594 1.00 0.00 H new ATOM 0 HG13 VAL A 54 26.790 -18.008 -4.468 1.00 0.00 H new ATOM 0 HG21 VAL A 54 23.874 -17.745 -5.556 1.00 0.00 H new ATOM 0 HG22 VAL A 54 24.248 -17.723 -3.817 1.00 0.00 H new ATOM 0 HG23 VAL A 54 23.340 -16.379 -4.549 1.00 0.00 H new ATOM 851 N ILE A 55 28.144 -14.892 -3.169 1.00 0.00 N ATOM 852 CA ILE A 55 29.516 -14.364 -3.308 1.00 0.00 C ATOM 853 C ILE A 55 30.486 -15.526 -3.589 1.00 0.00 C ATOM 854 O ILE A 55 30.059 -16.682 -3.673 1.00 0.00 O ATOM 855 CB ILE A 55 29.984 -13.571 -2.023 1.00 0.00 C ATOM 856 CG1 ILE A 55 30.181 -14.515 -0.794 1.00 0.00 C ATOM 857 CG2 ILE A 55 28.986 -12.446 -1.687 1.00 0.00 C ATOM 858 CD1 ILE A 55 30.754 -13.847 0.447 1.00 0.00 C ATOM 0 H ILE A 55 28.008 -15.429 -2.312 1.00 0.00 H new ATOM 0 HA ILE A 55 29.519 -13.661 -4.141 1.00 0.00 H new ATOM 0 HB ILE A 55 30.953 -13.126 -2.250 1.00 0.00 H new ATOM 0 HG12 ILE A 55 29.219 -14.958 -0.538 1.00 0.00 H new ATOM 0 HG13 ILE A 55 30.841 -15.332 -1.085 1.00 0.00 H new ATOM 0 HG21 ILE A 55 29.325 -11.912 -0.800 1.00 0.00 H new ATOM 0 HG22 ILE A 55 28.923 -11.753 -2.526 1.00 0.00 H new ATOM 0 HG23 ILE A 55 28.003 -12.877 -1.497 1.00 0.00 H new ATOM 0 HD11 ILE A 55 30.853 -14.584 1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 55 31.734 -13.429 0.216 1.00 0.00 H new ATOM 0 HD13 ILE A 55 30.086 -13.049 0.772 1.00 0.00 H new ATOM 870 N GLY A 56 31.781 -15.214 -3.762 1.00 0.00 N ATOM 871 CA GLY A 56 32.807 -16.249 -3.910 1.00 0.00 C ATOM 872 C GLY A 56 34.119 -15.850 -3.262 1.00 0.00 C ATOM 873 O GLY A 56 34.193 -15.725 -2.032 1.00 0.00 O ATOM 0 H GLY A 56 32.137 -14.259 -3.802 1.00 0.00 H new ATOM 0 HA2 GLY A 56 32.451 -17.178 -3.464 1.00 0.00 H new ATOM 0 HA3 GLY A 56 32.972 -16.446 -4.969 1.00 0.00 H new ATOM 877 N GLU A 57 35.151 -15.635 -4.094 1.00 0.00 N ATOM 878 CA GLU A 57 36.523 -15.401 -3.636 1.00 0.00 C ATOM 879 C GLU A 57 36.768 -13.900 -3.402 1.00 0.00 C ATOM 880 O GLU A 57 36.361 -13.051 -4.208 1.00 0.00 O ATOM 881 CB GLU A 57 37.554 -15.958 -4.664 1.00 0.00 C ATOM 882 CG GLU A 57 37.314 -17.424 -5.126 1.00 0.00 C ATOM 883 CD GLU A 57 36.447 -17.520 -6.401 1.00 0.00 C ATOM 884 OE1 GLU A 57 35.198 -17.498 -6.308 1.00 0.00 O ATOM 885 OE2 GLU A 57 37.021 -17.595 -7.509 1.00 0.00 O ATOM 0 H GLU A 57 35.052 -15.619 -5.109 1.00 0.00 H new ATOM 0 HA GLU A 57 36.656 -15.929 -2.692 1.00 0.00 H new ATOM 0 HB2 GLU A 57 37.549 -15.313 -5.543 1.00 0.00 H new ATOM 0 HB3 GLU A 57 38.550 -15.892 -4.226 1.00 0.00 H new ATOM 0 HG2 GLU A 57 38.276 -17.903 -5.310 1.00 0.00 H new ATOM 0 HG3 GLU A 57 36.830 -17.978 -4.322 1.00 0.00 H new ATOM 892 N PHE A 58 37.428 -13.606 -2.281 1.00 0.00 N ATOM 893 CA PHE A 58 37.848 -12.254 -1.884 1.00 0.00 C ATOM 894 C PHE A 58 38.847 -12.383 -0.720 1.00 0.00 C ATOM 895 O PHE A 58 39.073 -13.492 -0.202 1.00 0.00 O ATOM 896 CB PHE A 58 36.633 -11.357 -1.475 1.00 0.00 C ATOM 897 CG PHE A 58 35.891 -11.816 -0.216 1.00 0.00 C ATOM 898 CD1 PHE A 58 35.070 -12.940 -0.243 1.00 0.00 C ATOM 899 CD2 PHE A 58 36.030 -11.128 0.997 1.00 0.00 C ATOM 900 CE1 PHE A 58 34.417 -13.366 0.890 1.00 0.00 C ATOM 901 CE2 PHE A 58 35.370 -11.557 2.128 1.00 0.00 C ATOM 902 CZ PHE A 58 34.567 -12.676 2.072 1.00 0.00 C ATOM 0 H PHE A 58 37.694 -14.319 -1.602 1.00 0.00 H new ATOM 0 HA PHE A 58 38.319 -11.764 -2.736 1.00 0.00 H new ATOM 0 HB2 PHE A 58 36.988 -10.338 -1.320 1.00 0.00 H new ATOM 0 HB3 PHE A 58 35.927 -11.326 -2.305 1.00 0.00 H new ATOM 0 HD1 PHE A 58 34.944 -13.485 -1.167 1.00 0.00 H new ATOM 0 HD2 PHE A 58 36.661 -10.253 1.046 1.00 0.00 H new ATOM 0 HE1 PHE A 58 33.786 -14.242 0.853 1.00 0.00 H new ATOM 0 HE2 PHE A 58 35.482 -11.017 3.057 1.00 0.00 H new ATOM 0 HZ PHE A 58 34.053 -13.013 2.960 1.00 0.00 H new ATOM 912 N ASP A 59 39.432 -11.255 -0.301 1.00 0.00 N ATOM 913 CA ASP A 59 40.356 -11.221 0.848 1.00 0.00 C ATOM 914 C ASP A 59 39.582 -10.722 2.083 1.00 0.00 C ATOM 915 O ASP A 59 39.057 -9.598 2.082 1.00 0.00 O ATOM 916 CB ASP A 59 41.584 -10.320 0.554 1.00 0.00 C ATOM 917 CG ASP A 59 42.671 -10.395 1.654 1.00 0.00 C ATOM 918 OD1 ASP A 59 42.613 -9.624 2.627 1.00 0.00 O ATOM 919 OD2 ASP A 59 43.594 -11.228 1.540 1.00 0.00 O ATOM 0 H ASP A 59 39.283 -10.347 -0.741 1.00 0.00 H new ATOM 0 HA ASP A 59 40.739 -12.223 1.038 1.00 0.00 H new ATOM 0 HB2 ASP A 59 42.021 -10.612 -0.401 1.00 0.00 H new ATOM 0 HB3 ASP A 59 41.252 -9.287 0.450 1.00 0.00 H new ATOM 924 N GLU A 60 39.519 -11.575 3.125 1.00 0.00 N ATOM 925 CA GLU A 60 38.732 -11.318 4.349 1.00 0.00 C ATOM 926 C GLU A 60 39.320 -10.157 5.175 1.00 0.00 C ATOM 927 O GLU A 60 38.574 -9.481 5.874 1.00 0.00 O ATOM 928 CB GLU A 60 38.642 -12.604 5.218 1.00 0.00 C ATOM 929 CG GLU A 60 39.988 -13.077 5.806 1.00 0.00 C ATOM 930 CD GLU A 60 39.871 -14.365 6.631 1.00 0.00 C ATOM 931 OE1 GLU A 60 39.896 -15.471 6.042 1.00 0.00 O ATOM 932 OE2 GLU A 60 39.752 -14.278 7.874 1.00 0.00 O ATOM 0 H GLU A 60 40.015 -12.466 3.142 1.00 0.00 H new ATOM 0 HA GLU A 60 37.729 -11.028 4.037 1.00 0.00 H new ATOM 0 HB2 GLU A 60 37.945 -12.425 6.037 1.00 0.00 H new ATOM 0 HB3 GLU A 60 38.223 -13.407 4.612 1.00 0.00 H new ATOM 0 HG2 GLU A 60 40.695 -13.238 4.992 1.00 0.00 H new ATOM 0 HG3 GLU A 60 40.399 -12.287 6.435 1.00 0.00 H new ATOM 939 N GLU A 61 40.652 -9.937 5.071 1.00 0.00 N ATOM 940 CA GLU A 61 41.355 -8.900 5.860 1.00 0.00 C ATOM 941 C GLU A 61 41.046 -7.503 5.313 1.00 0.00 C ATOM 942 O GLU A 61 40.912 -6.556 6.088 1.00 0.00 O ATOM 943 CB GLU A 61 42.883 -9.133 5.884 1.00 0.00 C ATOM 944 CG GLU A 61 43.315 -10.490 6.453 1.00 0.00 C ATOM 945 CD GLU A 61 44.836 -10.601 6.593 1.00 0.00 C ATOM 946 OE1 GLU A 61 45.395 -10.096 7.593 1.00 0.00 O ATOM 947 OE2 GLU A 61 45.489 -11.170 5.700 1.00 0.00 O ATOM 0 H GLU A 61 41.261 -10.466 4.447 1.00 0.00 H new ATOM 0 HA GLU A 61 40.990 -8.971 6.884 1.00 0.00 H new ATOM 0 HB2 GLU A 61 43.267 -9.041 4.868 1.00 0.00 H new ATOM 0 HB3 GLU A 61 43.348 -8.343 6.473 1.00 0.00 H new ATOM 0 HG2 GLU A 61 42.850 -10.638 7.428 1.00 0.00 H new ATOM 0 HG3 GLU A 61 42.953 -11.287 5.803 1.00 0.00 H new ATOM 954 N GLU A 62 40.938 -7.394 3.968 1.00 0.00 N ATOM 955 CA GLU A 62 40.463 -6.164 3.293 1.00 0.00 C ATOM 956 C GLU A 62 39.057 -5.830 3.806 1.00 0.00 C ATOM 957 O GLU A 62 38.784 -4.717 4.269 1.00 0.00 O ATOM 958 CB GLU A 62 40.408 -6.350 1.749 1.00 0.00 C ATOM 959 CG GLU A 62 41.758 -6.669 1.079 1.00 0.00 C ATOM 960 CD GLU A 62 42.799 -5.550 1.209 1.00 0.00 C ATOM 961 OE1 GLU A 62 42.737 -4.574 0.428 1.00 0.00 O ATOM 962 OE2 GLU A 62 43.687 -5.641 2.078 1.00 0.00 O ATOM 0 H GLU A 62 41.176 -8.150 3.325 1.00 0.00 H new ATOM 0 HA GLU A 62 41.160 -5.356 3.516 1.00 0.00 H new ATOM 0 HB2 GLU A 62 39.708 -7.154 1.521 1.00 0.00 H new ATOM 0 HB3 GLU A 62 40.005 -5.440 1.303 1.00 0.00 H new ATOM 0 HG2 GLU A 62 42.163 -7.581 1.518 1.00 0.00 H new ATOM 0 HG3 GLU A 62 41.588 -6.872 0.022 1.00 0.00 H new ATOM 969 N ALA A 63 38.202 -6.859 3.760 1.00 0.00 N ATOM 970 CA ALA A 63 36.805 -6.784 4.187 1.00 0.00 C ATOM 971 C ALA A 63 36.688 -6.496 5.701 1.00 0.00 C ATOM 972 O ALA A 63 35.743 -5.848 6.134 1.00 0.00 O ATOM 973 CB ALA A 63 36.088 -8.092 3.817 1.00 0.00 C ATOM 0 H ALA A 63 38.469 -7.782 3.418 1.00 0.00 H new ATOM 0 HA ALA A 63 36.326 -5.953 3.669 1.00 0.00 H new ATOM 0 HB1 ALA A 63 35.047 -8.038 4.134 1.00 0.00 H new ATOM 0 HB2 ALA A 63 36.131 -8.238 2.738 1.00 0.00 H new ATOM 0 HB3 ALA A 63 36.577 -8.929 4.316 1.00 0.00 H new ATOM 979 N ARG A 64 37.664 -6.979 6.488 1.00 0.00 N ATOM 980 CA ARG A 64 37.657 -6.843 7.957 1.00 0.00 C ATOM 981 C ARG A 64 38.031 -5.407 8.360 1.00 0.00 C ATOM 982 O ARG A 64 37.346 -4.802 9.181 1.00 0.00 O ATOM 983 CB ARG A 64 38.611 -7.899 8.602 1.00 0.00 C ATOM 984 CG ARG A 64 38.375 -8.223 10.107 1.00 0.00 C ATOM 985 CD ARG A 64 38.852 -7.126 11.078 1.00 0.00 C ATOM 986 NE ARG A 64 38.545 -7.463 12.476 1.00 0.00 N ATOM 987 CZ ARG A 64 39.173 -6.977 13.549 1.00 0.00 C ATOM 988 NH1 ARG A 64 40.154 -6.082 13.433 1.00 0.00 N ATOM 989 NH2 ARG A 64 38.805 -7.389 14.750 1.00 0.00 N ATOM 0 H ARG A 64 38.479 -7.474 6.126 1.00 0.00 H new ATOM 0 HA ARG A 64 36.652 -7.037 8.332 1.00 0.00 H new ATOM 0 HB2 ARG A 64 38.525 -8.827 8.036 1.00 0.00 H new ATOM 0 HB3 ARG A 64 39.636 -7.548 8.486 1.00 0.00 H new ATOM 0 HG2 ARG A 64 37.310 -8.394 10.266 1.00 0.00 H new ATOM 0 HG3 ARG A 64 38.887 -9.154 10.350 1.00 0.00 H new ATOM 0 HD2 ARG A 64 39.927 -6.984 10.966 1.00 0.00 H new ATOM 0 HD3 ARG A 64 38.377 -6.180 10.819 1.00 0.00 H new ATOM 0 HE ARG A 64 37.787 -8.125 12.640 1.00 0.00 H new ATOM 0 HH11 ARG A 64 40.439 -5.755 12.510 1.00 0.00 H new ATOM 0 HH12 ARG A 64 40.620 -5.725 14.267 1.00 0.00 H new ATOM 0 HH21 ARG A 64 38.051 -8.069 14.847 1.00 0.00 H new ATOM 0 HH22 ARG A 64 39.275 -7.027 15.580 1.00 0.00 H new ATOM 1003 N GLU A 65 39.125 -4.876 7.783 1.00 0.00 N ATOM 1004 CA GLU A 65 39.651 -3.541 8.138 1.00 0.00 C ATOM 1005 C GLU A 65 38.716 -2.419 7.633 1.00 0.00 C ATOM 1006 O GLU A 65 38.502 -1.402 8.311 1.00 0.00 O ATOM 1007 CB GLU A 65 41.093 -3.337 7.592 1.00 0.00 C ATOM 1008 CG GLU A 65 41.225 -3.370 6.054 1.00 0.00 C ATOM 1009 CD GLU A 65 42.636 -3.028 5.561 1.00 0.00 C ATOM 1010 OE1 GLU A 65 43.515 -3.915 5.565 1.00 0.00 O ATOM 1011 OE2 GLU A 65 42.883 -1.855 5.185 1.00 0.00 O ATOM 0 H GLU A 65 39.667 -5.354 7.063 1.00 0.00 H new ATOM 0 HA GLU A 65 39.691 -3.487 9.226 1.00 0.00 H new ATOM 0 HB2 GLU A 65 41.468 -2.379 7.952 1.00 0.00 H new ATOM 0 HB3 GLU A 65 41.736 -4.110 8.012 1.00 0.00 H new ATOM 0 HG2 GLU A 65 40.952 -4.362 5.694 1.00 0.00 H new ATOM 0 HG3 GLU A 65 40.515 -2.666 5.620 1.00 0.00 H new ATOM 1018 N LEU A 66 38.170 -2.616 6.432 1.00 0.00 N ATOM 1019 CA LEU A 66 37.248 -1.662 5.795 1.00 0.00 C ATOM 1020 C LEU A 66 35.795 -1.909 6.300 1.00 0.00 C ATOM 1021 O LEU A 66 34.932 -1.025 6.228 1.00 0.00 O ATOM 1022 CB LEU A 66 37.443 -1.733 4.232 1.00 0.00 C ATOM 1023 CG LEU A 66 36.310 -2.363 3.365 1.00 0.00 C ATOM 1024 CD1 LEU A 66 35.232 -1.315 3.006 1.00 0.00 C ATOM 1025 CD2 LEU A 66 36.875 -3.052 2.102 1.00 0.00 C ATOM 0 H LEU A 66 38.353 -3.445 5.867 1.00 0.00 H new ATOM 0 HA LEU A 66 37.468 -0.633 6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 66 37.608 -0.717 3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 66 38.358 -2.293 4.038 1.00 0.00 H new ATOM 0 HG LEU A 66 35.830 -3.136 3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 66 34.456 -1.784 2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 66 34.790 -0.919 3.921 1.00 0.00 H new ATOM 0 HD13 LEU A 66 35.689 -0.501 2.442 1.00 0.00 H new ATOM 0 HD21 LEU A 66 36.056 -3.479 1.523 1.00 0.00 H new ATOM 0 HD22 LEU A 66 37.405 -2.319 1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 66 37.563 -3.845 2.397 1.00 0.00 H new ATOM 1037 N GLY A 67 35.553 -3.116 6.838 1.00 0.00 N ATOM 1038 CA GLY A 67 34.288 -3.437 7.504 1.00 0.00 C ATOM 1039 C GLY A 67 34.197 -2.785 8.878 1.00 0.00 C ATOM 1040 O GLY A 67 33.160 -2.240 9.250 1.00 0.00 O ATOM 0 H GLY A 67 36.222 -3.886 6.822 1.00 0.00 H new ATOM 0 HA2 GLY A 67 33.455 -3.102 6.886 1.00 0.00 H new ATOM 0 HA3 GLY A 67 34.194 -4.518 7.607 1.00 0.00 H new ATOM 1044 N ARG A 68 35.317 -2.821 9.627 1.00 0.00 N ATOM 1045 CA ARG A 68 35.431 -2.147 10.936 1.00 0.00 C ATOM 1046 C ARG A 68 35.565 -0.627 10.731 1.00 0.00 C ATOM 1047 O ARG A 68 35.366 0.154 11.667 1.00 0.00 O ATOM 1048 CB ARG A 68 36.615 -2.713 11.771 1.00 0.00 C ATOM 1049 CG ARG A 68 38.014 -2.284 11.283 1.00 0.00 C ATOM 1050 CD ARG A 68 39.171 -2.909 12.089 1.00 0.00 C ATOM 1051 NE ARG A 68 39.042 -2.689 13.540 1.00 0.00 N ATOM 1052 CZ ARG A 68 39.256 -1.530 14.191 1.00 0.00 C ATOM 1053 NH1 ARG A 68 39.554 -0.415 13.536 1.00 0.00 N ATOM 1054 NH2 ARG A 68 39.125 -1.495 15.503 1.00 0.00 N ATOM 0 H ARG A 68 36.163 -3.315 9.344 1.00 0.00 H new ATOM 0 HA ARG A 68 34.522 -2.344 11.505 1.00 0.00 H new ATOM 0 HB2 ARG A 68 36.494 -2.397 12.807 1.00 0.00 H new ATOM 0 HB3 ARG A 68 36.560 -3.802 11.761 1.00 0.00 H new ATOM 0 HG2 ARG A 68 38.123 -2.560 10.234 1.00 0.00 H new ATOM 0 HG3 ARG A 68 38.091 -1.198 11.337 1.00 0.00 H new ATOM 0 HD2 ARG A 68 39.208 -3.980 11.891 1.00 0.00 H new ATOM 0 HD3 ARG A 68 40.116 -2.488 11.745 1.00 0.00 H new ATOM 0 HE ARG A 68 38.764 -3.491 14.105 1.00 0.00 H new ATOM 0 HH11 ARG A 68 39.625 -0.425 12.519 1.00 0.00 H new ATOM 0 HH12 ARG A 68 39.712 0.452 14.050 1.00 0.00 H new ATOM 0 HH21 ARG A 68 38.864 -2.340 16.012 1.00 0.00 H new ATOM 0 HH22 ARG A 68 39.284 -0.623 16.008 1.00 0.00 H new ATOM 1068 N LYS A 69 35.921 -0.227 9.487 1.00 0.00 N ATOM 1069 CA LYS A 69 35.876 1.173 9.049 1.00 0.00 C ATOM 1070 C LYS A 69 34.417 1.655 9.022 1.00 0.00 C ATOM 1071 O LYS A 69 34.143 2.771 9.406 1.00 0.00 O ATOM 1072 CB LYS A 69 36.507 1.356 7.645 1.00 0.00 C ATOM 1073 CG LYS A 69 36.890 2.811 7.301 1.00 0.00 C ATOM 1074 CD LYS A 69 38.186 3.249 8.018 1.00 0.00 C ATOM 1075 CE LYS A 69 39.424 2.475 7.516 1.00 0.00 C ATOM 1076 NZ LYS A 69 39.797 2.869 6.131 1.00 0.00 N ATOM 0 H LYS A 69 36.246 -0.871 8.766 1.00 0.00 H new ATOM 0 HA LYS A 69 36.456 1.765 9.757 1.00 0.00 H new ATOM 0 HB2 LYS A 69 37.399 0.733 7.577 1.00 0.00 H new ATOM 0 HB3 LYS A 69 35.806 0.991 6.895 1.00 0.00 H new ATOM 0 HG2 LYS A 69 37.021 2.907 6.223 1.00 0.00 H new ATOM 0 HG3 LYS A 69 36.075 3.478 7.584 1.00 0.00 H new ATOM 0 HD2 LYS A 69 38.341 4.317 7.864 1.00 0.00 H new ATOM 0 HD3 LYS A 69 38.075 3.095 9.091 1.00 0.00 H new ATOM 0 HE2 LYS A 69 40.264 2.660 8.185 1.00 0.00 H new ATOM 0 HE3 LYS A 69 39.221 1.405 7.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 40.662 2.366 5.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 39.024 2.623 5.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 39.966 3.895 6.095 1.00 0.00 H new ATOM 1090 N TRP A 70 33.500 0.773 8.558 1.00 0.00 N ATOM 1091 CA TRP A 70 32.035 1.018 8.567 1.00 0.00 C ATOM 1092 C TRP A 70 31.513 1.233 10.007 1.00 0.00 C ATOM 1093 O TRP A 70 30.693 2.143 10.260 1.00 0.00 O ATOM 1094 CB TRP A 70 31.312 -0.160 7.876 1.00 0.00 C ATOM 1095 CG TRP A 70 29.797 -0.111 7.895 1.00 0.00 C ATOM 1096 CD1 TRP A 70 28.978 0.627 7.086 1.00 0.00 C ATOM 1097 CD2 TRP A 70 28.926 -0.865 8.756 1.00 0.00 C ATOM 1098 NE1 TRP A 70 27.668 0.362 7.379 1.00 0.00 N ATOM 1099 CE2 TRP A 70 27.609 -0.544 8.399 1.00 0.00 C ATOM 1100 CE3 TRP A 70 29.140 -1.782 9.788 1.00 0.00 C ATOM 1101 CZ2 TRP A 70 26.504 -1.110 9.031 1.00 0.00 C ATOM 1102 CZ3 TRP A 70 28.045 -2.337 10.419 1.00 0.00 C ATOM 1103 CH2 TRP A 70 26.743 -2.000 10.039 1.00 0.00 C ATOM 0 H TRP A 70 33.755 -0.133 8.165 1.00 0.00 H new ATOM 0 HA TRP A 70 31.825 1.933 8.013 1.00 0.00 H new ATOM 0 HB2 TRP A 70 31.642 -0.204 6.838 1.00 0.00 H new ATOM 0 HB3 TRP A 70 31.632 -1.087 8.352 1.00 0.00 H new ATOM 0 HD1 TRP A 70 29.316 1.318 6.327 1.00 0.00 H new ATOM 0 HE1 TRP A 70 26.863 0.776 6.910 1.00 0.00 H new ATOM 0 HE3 TRP A 70 30.142 -2.051 10.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 25.497 -0.855 8.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 28.197 -3.044 11.221 1.00 0.00 H new ATOM 0 HH2 TRP A 70 25.908 -2.453 10.553 1.00 0.00 H new ATOM 1114 N LEU A 71 31.996 0.397 10.955 1.00 0.00 N ATOM 1115 CA LEU A 71 31.719 0.605 12.401 1.00 0.00 C ATOM 1116 C LEU A 71 32.263 1.980 12.867 1.00 0.00 C ATOM 1117 O LEU A 71 31.630 2.664 13.678 1.00 0.00 O ATOM 1118 CB LEU A 71 32.314 -0.528 13.301 1.00 0.00 C ATOM 1119 CG LEU A 71 31.594 -1.922 13.293 1.00 0.00 C ATOM 1120 CD1 LEU A 71 30.076 -1.786 13.483 1.00 0.00 C ATOM 1121 CD2 LEU A 71 31.932 -2.741 12.043 1.00 0.00 C ATOM 0 H LEU A 71 32.573 -0.419 10.752 1.00 0.00 H new ATOM 0 HA LEU A 71 30.635 0.578 12.515 1.00 0.00 H new ATOM 0 HB2 LEU A 71 33.350 -0.684 13.001 1.00 0.00 H new ATOM 0 HB3 LEU A 71 32.331 -0.165 14.329 1.00 0.00 H new ATOM 0 HG LEU A 71 31.979 -2.474 14.150 1.00 0.00 H new ATOM 0 HD11 LEU A 71 29.618 -2.775 13.471 1.00 0.00 H new ATOM 0 HD12 LEU A 71 29.871 -1.302 14.438 1.00 0.00 H new ATOM 0 HD13 LEU A 71 29.661 -1.184 12.675 1.00 0.00 H new ATOM 0 HD21 LEU A 71 31.411 -3.697 12.083 1.00 0.00 H new ATOM 0 HD22 LEU A 71 31.619 -2.194 11.154 1.00 0.00 H new ATOM 0 HD23 LEU A 71 33.007 -2.915 12.002 1.00 0.00 H new ATOM 1133 N GLU A 72 33.427 2.369 12.318 1.00 0.00 N ATOM 1134 CA GLU A 72 34.098 3.652 12.618 1.00 0.00 C ATOM 1135 C GLU A 72 33.385 4.842 11.916 1.00 0.00 C ATOM 1136 O GLU A 72 33.496 5.989 12.364 1.00 0.00 O ATOM 1137 CB GLU A 72 35.595 3.570 12.208 1.00 0.00 C ATOM 1138 CG GLU A 72 36.445 4.807 12.569 1.00 0.00 C ATOM 1139 CD GLU A 72 37.929 4.668 12.186 1.00 0.00 C ATOM 1140 OE1 GLU A 72 38.263 4.844 10.997 1.00 0.00 O ATOM 1141 OE2 GLU A 72 38.766 4.379 13.065 1.00 0.00 O ATOM 0 H GLU A 72 33.937 1.796 11.645 1.00 0.00 H new ATOM 0 HA GLU A 72 34.039 3.833 13.691 1.00 0.00 H new ATOM 0 HB2 GLU A 72 36.037 2.694 12.683 1.00 0.00 H new ATOM 0 HB3 GLU A 72 35.652 3.412 11.131 1.00 0.00 H new ATOM 0 HG2 GLU A 72 36.030 5.682 12.068 1.00 0.00 H new ATOM 0 HG3 GLU A 72 36.371 4.988 13.641 1.00 0.00 H new