USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=12 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+ -120:sc= 0.962 (180deg=-0.0474) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -174:sc= -0.969 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+ 154:sc= -0.933 (180deg=-2.66!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0302) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 106:sc= 0.0936 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00296) USER MOD ----------------------------------------------------------------- ATOM 123 N MET A 9 19.167 -10.637 3.667 1.00 0.00 N ATOM 124 CA MET A 9 19.387 -11.715 2.687 1.00 0.00 C ATOM 125 C MET A 9 20.610 -12.565 3.069 1.00 0.00 C ATOM 126 O MET A 9 21.700 -12.029 3.278 1.00 0.00 O ATOM 127 CB MET A 9 19.569 -11.125 1.265 1.00 0.00 C ATOM 128 CG MET A 9 18.368 -10.327 0.736 1.00 0.00 C ATOM 129 SD MET A 9 18.557 -9.870 -1.004 1.00 0.00 S ATOM 130 CE MET A 9 17.016 -9.014 -1.321 1.00 0.00 C ATOM 0 HA MET A 9 18.508 -12.359 2.691 1.00 0.00 H new ATOM 0 HB2 MET A 9 20.445 -10.477 1.266 1.00 0.00 H new ATOM 0 HB3 MET A 9 19.777 -11.941 0.573 1.00 0.00 H new ATOM 0 HG2 MET A 9 17.460 -10.918 0.857 1.00 0.00 H new ATOM 0 HG3 MET A 9 18.243 -9.425 1.334 1.00 0.00 H new ATOM 0 HE1 MET A 9 16.994 -8.676 -2.357 1.00 0.00 H new ATOM 0 HE2 MET A 9 16.180 -9.691 -1.142 1.00 0.00 H new ATOM 0 HE3 MET A 9 16.934 -8.154 -0.657 1.00 0.00 H new ATOM 140 N TYR A 10 20.407 -13.889 3.155 1.00 0.00 N ATOM 141 CA TYR A 10 21.455 -14.848 3.534 1.00 0.00 C ATOM 142 C TYR A 10 22.555 -14.902 2.456 1.00 0.00 C ATOM 143 O TYR A 10 22.302 -15.303 1.315 1.00 0.00 O ATOM 144 CB TYR A 10 20.842 -16.251 3.773 1.00 0.00 C ATOM 145 CG TYR A 10 19.871 -16.294 4.962 1.00 0.00 C ATOM 146 CD1 TYR A 10 20.340 -16.492 6.264 1.00 0.00 C ATOM 147 CD2 TYR A 10 18.496 -16.120 4.786 1.00 0.00 C ATOM 148 CE1 TYR A 10 19.473 -16.518 7.341 1.00 0.00 C ATOM 149 CE2 TYR A 10 17.627 -16.144 5.861 1.00 0.00 C ATOM 150 CZ TYR A 10 18.121 -16.343 7.135 1.00 0.00 C ATOM 151 OH TYR A 10 17.253 -16.373 8.208 1.00 0.00 O ATOM 0 H TYR A 10 19.506 -14.326 2.962 1.00 0.00 H new ATOM 0 HA TYR A 10 21.913 -14.514 4.465 1.00 0.00 H new ATOM 0 HB2 TYR A 10 20.317 -16.569 2.872 1.00 0.00 H new ATOM 0 HB3 TYR A 10 21.646 -16.967 3.943 1.00 0.00 H new ATOM 0 HD1 TYR A 10 21.398 -16.627 6.432 1.00 0.00 H new ATOM 0 HD2 TYR A 10 18.105 -15.964 3.792 1.00 0.00 H new ATOM 0 HE1 TYR A 10 19.853 -16.675 8.340 1.00 0.00 H new ATOM 0 HE2 TYR A 10 16.567 -16.008 5.705 1.00 0.00 H new ATOM 0 HH TYR A 10 16.336 -16.232 7.891 1.00 0.00 H new ATOM 161 N VAL A 11 23.757 -14.451 2.831 1.00 0.00 N ATOM 162 CA VAL A 11 24.922 -14.419 1.943 1.00 0.00 C ATOM 163 C VAL A 11 25.614 -15.793 1.917 1.00 0.00 C ATOM 164 O VAL A 11 25.972 -16.342 2.964 1.00 0.00 O ATOM 165 CB VAL A 11 25.927 -13.296 2.387 1.00 0.00 C ATOM 166 CG1 VAL A 11 27.225 -13.305 1.542 1.00 0.00 C ATOM 167 CG2 VAL A 11 25.237 -11.912 2.333 1.00 0.00 C ATOM 0 H VAL A 11 23.949 -14.095 3.767 1.00 0.00 H new ATOM 0 HA VAL A 11 24.581 -14.187 0.934 1.00 0.00 H new ATOM 0 HB VAL A 11 26.222 -13.503 3.416 1.00 0.00 H new ATOM 0 HG11 VAL A 11 27.888 -12.511 1.886 1.00 0.00 H new ATOM 0 HG12 VAL A 11 27.724 -14.268 1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 11 26.977 -13.142 0.493 1.00 0.00 H new ATOM 0 HG21 VAL A 11 25.943 -11.141 2.643 1.00 0.00 H new ATOM 0 HG22 VAL A 11 24.904 -11.711 1.315 1.00 0.00 H new ATOM 0 HG23 VAL A 11 24.378 -11.908 3.003 1.00 0.00 H new ATOM 177 N PHE A 12 25.750 -16.348 0.705 1.00 0.00 N ATOM 178 CA PHE A 12 26.455 -17.608 0.451 1.00 0.00 C ATOM 179 C PHE A 12 27.778 -17.316 -0.273 1.00 0.00 C ATOM 180 O PHE A 12 27.777 -16.734 -1.355 1.00 0.00 O ATOM 181 CB PHE A 12 25.564 -18.565 -0.393 1.00 0.00 C ATOM 182 CG PHE A 12 24.319 -19.050 0.351 1.00 0.00 C ATOM 183 CD1 PHE A 12 23.157 -18.285 0.387 1.00 0.00 C ATOM 184 CD2 PHE A 12 24.326 -20.263 1.039 1.00 0.00 C ATOM 185 CE1 PHE A 12 22.044 -18.714 1.088 1.00 0.00 C ATOM 186 CE2 PHE A 12 23.209 -20.692 1.733 1.00 0.00 C ATOM 187 CZ PHE A 12 22.069 -19.916 1.759 1.00 0.00 C ATOM 0 H PHE A 12 25.366 -15.925 -0.140 1.00 0.00 H new ATOM 0 HA PHE A 12 26.672 -18.099 1.400 1.00 0.00 H new ATOM 0 HB2 PHE A 12 25.257 -18.053 -1.305 1.00 0.00 H new ATOM 0 HB3 PHE A 12 26.156 -19.428 -0.696 1.00 0.00 H new ATOM 0 HD1 PHE A 12 23.124 -17.343 -0.140 1.00 0.00 H new ATOM 0 HD2 PHE A 12 25.215 -20.876 1.030 1.00 0.00 H new ATOM 0 HE1 PHE A 12 21.153 -18.104 1.109 1.00 0.00 H new ATOM 0 HE2 PHE A 12 23.230 -21.637 2.256 1.00 0.00 H new ATOM 0 HZ PHE A 12 21.199 -20.250 2.304 1.00 0.00 H new ATOM 197 N LYS A 13 28.897 -17.717 0.343 1.00 0.00 N ATOM 198 CA LYS A 13 30.235 -17.598 -0.243 1.00 0.00 C ATOM 199 C LYS A 13 30.407 -18.718 -1.286 1.00 0.00 C ATOM 200 O LYS A 13 30.861 -19.824 -0.979 1.00 0.00 O ATOM 201 CB LYS A 13 31.292 -17.642 0.900 1.00 0.00 C ATOM 202 CG LYS A 13 32.763 -17.620 0.455 1.00 0.00 C ATOM 203 CD LYS A 13 33.748 -17.610 1.650 1.00 0.00 C ATOM 204 CE LYS A 13 35.188 -17.906 1.219 1.00 0.00 C ATOM 205 NZ LYS A 13 35.302 -19.269 0.634 1.00 0.00 N ATOM 0 H LYS A 13 28.897 -18.138 1.272 1.00 0.00 H new ATOM 0 HA LYS A 13 30.374 -16.649 -0.761 1.00 0.00 H new ATOM 0 HB2 LYS A 13 31.120 -16.792 1.561 1.00 0.00 H new ATOM 0 HB3 LYS A 13 31.124 -18.543 1.489 1.00 0.00 H new ATOM 0 HG2 LYS A 13 32.963 -18.492 -0.168 1.00 0.00 H new ATOM 0 HG3 LYS A 13 32.938 -16.739 -0.163 1.00 0.00 H new ATOM 0 HD2 LYS A 13 33.711 -16.637 2.141 1.00 0.00 H new ATOM 0 HD3 LYS A 13 33.432 -18.350 2.385 1.00 0.00 H new ATOM 0 HE2 LYS A 13 35.512 -17.165 0.488 1.00 0.00 H new ATOM 0 HE3 LYS A 13 35.853 -17.819 2.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 35.973 -19.832 1.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 34.370 -19.730 0.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 35.643 -19.199 -0.346 1.00 0.00 H new ATOM 219 N GLY A 14 29.941 -18.434 -2.511 1.00 0.00 N ATOM 220 CA GLY A 14 29.913 -19.416 -3.588 1.00 0.00 C ATOM 221 C GLY A 14 28.795 -20.429 -3.367 1.00 0.00 C ATOM 222 O GLY A 14 27.638 -20.180 -3.724 1.00 0.00 O ATOM 0 H GLY A 14 29.576 -17.519 -2.775 1.00 0.00 H new ATOM 0 HA2 GLY A 14 29.769 -18.911 -4.543 1.00 0.00 H new ATOM 0 HA3 GLY A 14 30.872 -19.932 -3.641 1.00 0.00 H new ATOM 226 N GLU A 15 29.157 -21.555 -2.737 1.00 0.00 N ATOM 227 CA GLU A 15 28.240 -22.675 -2.440 1.00 0.00 C ATOM 228 C GLU A 15 27.971 -22.791 -0.921 1.00 0.00 C ATOM 229 O GLU A 15 26.942 -23.345 -0.512 1.00 0.00 O ATOM 230 CB GLU A 15 28.844 -24.002 -2.986 1.00 0.00 C ATOM 231 CG GLU A 15 30.307 -24.253 -2.556 1.00 0.00 C ATOM 232 CD GLU A 15 30.880 -25.595 -3.040 1.00 0.00 C ATOM 233 OE1 GLU A 15 31.023 -25.784 -4.269 1.00 0.00 O ATOM 234 OE2 GLU A 15 31.204 -26.464 -2.196 1.00 0.00 O ATOM 0 H GLU A 15 30.110 -21.720 -2.412 1.00 0.00 H new ATOM 0 HA GLU A 15 27.287 -22.482 -2.931 1.00 0.00 H new ATOM 0 HB2 GLU A 15 28.229 -24.835 -2.647 1.00 0.00 H new ATOM 0 HB3 GLU A 15 28.793 -23.991 -4.075 1.00 0.00 H new ATOM 0 HG2 GLU A 15 30.931 -23.445 -2.938 1.00 0.00 H new ATOM 0 HG3 GLU A 15 30.367 -24.215 -1.468 1.00 0.00 H new ATOM 241 N GLU A 16 28.899 -22.270 -0.093 1.00 0.00 N ATOM 242 CA GLU A 16 28.850 -22.430 1.378 1.00 0.00 C ATOM 243 C GLU A 16 28.080 -21.257 2.023 1.00 0.00 C ATOM 244 O GLU A 16 28.164 -20.124 1.545 1.00 0.00 O ATOM 245 CB GLU A 16 30.299 -22.540 1.949 1.00 0.00 C ATOM 246 CG GLU A 16 31.157 -21.273 1.778 1.00 0.00 C ATOM 247 CD GLU A 16 32.655 -21.476 2.038 1.00 0.00 C ATOM 248 OE1 GLU A 16 33.064 -21.541 3.218 1.00 0.00 O ATOM 249 OE2 GLU A 16 33.438 -21.566 1.063 1.00 0.00 O ATOM 0 H GLU A 16 29.700 -21.729 -0.421 1.00 0.00 H new ATOM 0 HA GLU A 16 28.317 -23.349 1.620 1.00 0.00 H new ATOM 0 HB2 GLU A 16 30.239 -22.781 3.010 1.00 0.00 H new ATOM 0 HB3 GLU A 16 30.805 -23.373 1.461 1.00 0.00 H new ATOM 0 HG2 GLU A 16 31.026 -20.895 0.764 1.00 0.00 H new ATOM 0 HG3 GLU A 16 30.785 -20.504 2.455 1.00 0.00 H new ATOM 256 N SER A 17 27.328 -21.545 3.101 1.00 0.00 N ATOM 257 CA SER A 17 26.591 -20.528 3.871 1.00 0.00 C ATOM 258 C SER A 17 27.585 -19.666 4.666 1.00 0.00 C ATOM 259 O SER A 17 28.251 -20.161 5.587 1.00 0.00 O ATOM 260 CB SER A 17 25.565 -21.209 4.809 1.00 0.00 C ATOM 261 OG SER A 17 24.805 -20.261 5.547 1.00 0.00 O ATOM 0 H SER A 17 27.215 -22.492 3.463 1.00 0.00 H new ATOM 0 HA SER A 17 26.041 -19.881 3.188 1.00 0.00 H new ATOM 0 HB2 SER A 17 24.893 -21.832 4.219 1.00 0.00 H new ATOM 0 HB3 SER A 17 26.089 -21.870 5.500 1.00 0.00 H new ATOM 0 HG SER A 17 24.168 -20.731 6.125 1.00 0.00 H new ATOM 267 N PHE A 18 27.714 -18.389 4.275 1.00 0.00 N ATOM 268 CA PHE A 18 28.705 -17.476 4.856 1.00 0.00 C ATOM 269 C PHE A 18 28.117 -16.705 6.050 1.00 0.00 C ATOM 270 O PHE A 18 28.642 -16.783 7.167 1.00 0.00 O ATOM 271 CB PHE A 18 29.220 -16.505 3.761 1.00 0.00 C ATOM 272 CG PHE A 18 30.287 -15.533 4.248 1.00 0.00 C ATOM 273 CD1 PHE A 18 31.499 -16.004 4.747 1.00 0.00 C ATOM 274 CD2 PHE A 18 30.069 -14.157 4.239 1.00 0.00 C ATOM 275 CE1 PHE A 18 32.454 -15.131 5.221 1.00 0.00 C ATOM 276 CE2 PHE A 18 31.025 -13.284 4.719 1.00 0.00 C ATOM 277 CZ PHE A 18 32.215 -13.772 5.209 1.00 0.00 C ATOM 0 H PHE A 18 27.136 -17.963 3.550 1.00 0.00 H new ATOM 0 HA PHE A 18 29.545 -18.060 5.233 1.00 0.00 H new ATOM 0 HB2 PHE A 18 29.624 -17.088 2.934 1.00 0.00 H new ATOM 0 HB3 PHE A 18 28.377 -15.936 3.368 1.00 0.00 H new ATOM 0 HD1 PHE A 18 31.693 -17.066 4.763 1.00 0.00 H new ATOM 0 HD2 PHE A 18 29.139 -13.768 3.851 1.00 0.00 H new ATOM 0 HE1 PHE A 18 33.390 -15.511 5.602 1.00 0.00 H new ATOM 0 HE2 PHE A 18 30.839 -12.220 4.710 1.00 0.00 H new ATOM 0 HZ PHE A 18 32.963 -13.090 5.585 1.00 0.00 H new ATOM 287 N GLY A 19 27.003 -15.992 5.809 1.00 0.00 N ATOM 288 CA GLY A 19 26.402 -15.115 6.815 1.00 0.00 C ATOM 289 C GLY A 19 25.142 -14.429 6.313 1.00 0.00 C ATOM 290 O GLY A 19 24.347 -15.030 5.587 1.00 0.00 O ATOM 0 H GLY A 19 26.503 -16.010 4.920 1.00 0.00 H new ATOM 0 HA2 GLY A 19 26.164 -15.698 7.705 1.00 0.00 H new ATOM 0 HA3 GLY A 19 27.128 -14.359 7.114 1.00 0.00 H new ATOM 294 N GLU A 20 24.978 -13.144 6.675 1.00 0.00 N ATOM 295 CA GLU A 20 23.763 -12.361 6.379 1.00 0.00 C ATOM 296 C GLU A 20 24.131 -10.919 5.977 1.00 0.00 C ATOM 297 O GLU A 20 25.035 -10.307 6.563 1.00 0.00 O ATOM 298 CB GLU A 20 22.823 -12.373 7.619 1.00 0.00 C ATOM 299 CG GLU A 20 23.467 -11.820 8.908 1.00 0.00 C ATOM 300 CD GLU A 20 22.607 -12.026 10.162 1.00 0.00 C ATOM 301 OE1 GLU A 20 21.611 -11.292 10.342 1.00 0.00 O ATOM 302 OE2 GLU A 20 22.944 -12.908 10.986 1.00 0.00 O ATOM 0 H GLU A 20 25.687 -12.616 7.184 1.00 0.00 H new ATOM 0 HA GLU A 20 23.240 -12.815 5.537 1.00 0.00 H new ATOM 0 HB2 GLU A 20 21.932 -11.787 7.391 1.00 0.00 H new ATOM 0 HB3 GLU A 20 22.494 -13.396 7.801 1.00 0.00 H new ATOM 0 HG2 GLU A 20 24.433 -12.302 9.057 1.00 0.00 H new ATOM 0 HG3 GLU A 20 23.659 -10.755 8.780 1.00 0.00 H new ATOM 309 N SER A 21 23.426 -10.397 4.964 1.00 0.00 N ATOM 310 CA SER A 21 23.601 -9.025 4.473 1.00 0.00 C ATOM 311 C SER A 21 22.869 -8.054 5.412 1.00 0.00 C ATOM 312 O SER A 21 21.632 -8.043 5.458 1.00 0.00 O ATOM 313 CB SER A 21 23.065 -8.897 3.025 1.00 0.00 C ATOM 314 OG SER A 21 23.206 -7.577 2.523 1.00 0.00 O ATOM 0 H SER A 21 22.712 -10.921 4.458 1.00 0.00 H new ATOM 0 HA SER A 21 24.662 -8.777 4.460 1.00 0.00 H new ATOM 0 HB2 SER A 21 23.601 -9.591 2.377 1.00 0.00 H new ATOM 0 HB3 SER A 21 22.014 -9.184 3.000 1.00 0.00 H new ATOM 0 HG SER A 21 22.773 -7.513 1.646 1.00 0.00 H new ATOM 320 N ILE A 22 23.644 -7.276 6.181 1.00 0.00 N ATOM 321 CA ILE A 22 23.104 -6.263 7.106 1.00 0.00 C ATOM 322 C ILE A 22 23.018 -4.902 6.389 1.00 0.00 C ATOM 323 O ILE A 22 22.029 -4.171 6.541 1.00 0.00 O ATOM 324 CB ILE A 22 23.960 -6.203 8.450 1.00 0.00 C ATOM 325 CG1 ILE A 22 23.423 -5.146 9.500 1.00 0.00 C ATOM 326 CG2 ILE A 22 25.466 -6.015 8.168 1.00 0.00 C ATOM 327 CD1 ILE A 22 23.960 -3.715 9.386 1.00 0.00 C ATOM 0 H ILE A 22 24.663 -7.329 6.181 1.00 0.00 H new ATOM 0 HA ILE A 22 22.093 -6.542 7.404 1.00 0.00 H new ATOM 0 HB ILE A 22 23.831 -7.178 8.920 1.00 0.00 H new ATOM 0 HG12 ILE A 22 22.337 -5.108 9.416 1.00 0.00 H new ATOM 0 HG13 ILE A 22 23.653 -5.515 10.500 1.00 0.00 H new ATOM 0 HG21 ILE A 22 26.011 -5.979 9.111 1.00 0.00 H new ATOM 0 HG22 ILE A 22 25.831 -6.849 7.569 1.00 0.00 H new ATOM 0 HG23 ILE A 22 25.621 -5.083 7.624 1.00 0.00 H new ATOM 0 HD11 ILE A 22 23.512 -3.095 10.163 1.00 0.00 H new ATOM 0 HD12 ILE A 22 25.043 -3.722 9.507 1.00 0.00 H new ATOM 0 HD13 ILE A 22 23.707 -3.308 8.407 1.00 0.00 H new ATOM 339 N ASP A 23 24.036 -4.589 5.559 1.00 0.00 N ATOM 340 CA ASP A 23 24.147 -3.269 4.907 1.00 0.00 C ATOM 341 C ASP A 23 24.953 -3.364 3.596 1.00 0.00 C ATOM 342 O ASP A 23 25.555 -4.400 3.299 1.00 0.00 O ATOM 343 CB ASP A 23 24.801 -2.265 5.899 1.00 0.00 C ATOM 344 CG ASP A 23 24.729 -0.799 5.435 1.00 0.00 C ATOM 345 OD1 ASP A 23 23.670 -0.162 5.613 1.00 0.00 O ATOM 346 OD2 ASP A 23 25.729 -0.277 4.887 1.00 0.00 O ATOM 0 H ASP A 23 24.792 -5.233 5.326 1.00 0.00 H new ATOM 0 HA ASP A 23 23.151 -2.913 4.644 1.00 0.00 H new ATOM 0 HB2 ASP A 23 24.310 -2.354 6.868 1.00 0.00 H new ATOM 0 HB3 ASP A 23 25.846 -2.540 6.044 1.00 0.00 H new ATOM 351 N VAL A 24 24.923 -2.276 2.810 1.00 0.00 N ATOM 352 CA VAL A 24 25.747 -2.100 1.605 1.00 0.00 C ATOM 353 C VAL A 24 26.003 -0.591 1.404 1.00 0.00 C ATOM 354 O VAL A 24 25.100 0.235 1.607 1.00 0.00 O ATOM 355 CB VAL A 24 25.069 -2.742 0.328 1.00 0.00 C ATOM 356 CG1 VAL A 24 23.656 -2.172 0.071 1.00 0.00 C ATOM 357 CG2 VAL A 24 25.979 -2.610 -0.919 1.00 0.00 C ATOM 0 H VAL A 24 24.314 -1.480 2.998 1.00 0.00 H new ATOM 0 HA VAL A 24 26.695 -2.621 1.741 1.00 0.00 H new ATOM 0 HB VAL A 24 24.944 -3.806 0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 24 23.230 -2.642 -0.815 1.00 0.00 H new ATOM 0 HG12 VAL A 24 23.019 -2.376 0.932 1.00 0.00 H new ATOM 0 HG13 VAL A 24 23.721 -1.095 -0.085 1.00 0.00 H new ATOM 0 HG21 VAL A 24 25.485 -3.061 -1.780 1.00 0.00 H new ATOM 0 HG22 VAL A 24 26.169 -1.556 -1.121 1.00 0.00 H new ATOM 0 HG23 VAL A 24 26.924 -3.120 -0.735 1.00 0.00 H new ATOM 367 N TYR A 25 27.246 -0.236 1.043 1.00 0.00 N ATOM 368 CA TYR A 25 27.649 1.156 0.787 1.00 0.00 C ATOM 369 C TYR A 25 28.716 1.172 -0.327 1.00 0.00 C ATOM 370 O TYR A 25 29.629 0.333 -0.324 1.00 0.00 O ATOM 371 CB TYR A 25 28.173 1.831 2.104 1.00 0.00 C ATOM 372 CG TYR A 25 29.601 1.420 2.541 1.00 0.00 C ATOM 373 CD1 TYR A 25 29.921 0.090 2.839 1.00 0.00 C ATOM 374 CD2 TYR A 25 30.639 2.359 2.611 1.00 0.00 C ATOM 375 CE1 TYR A 25 31.208 -0.276 3.189 1.00 0.00 C ATOM 376 CE2 TYR A 25 31.920 1.987 2.958 1.00 0.00 C ATOM 377 CZ TYR A 25 32.200 0.673 3.246 1.00 0.00 C ATOM 378 OH TYR A 25 33.480 0.314 3.603 1.00 0.00 O ATOM 0 H TYR A 25 28.003 -0.909 0.920 1.00 0.00 H new ATOM 0 HA TYR A 25 26.788 1.735 0.454 1.00 0.00 H new ATOM 0 HB2 TYR A 25 28.150 2.913 1.971 1.00 0.00 H new ATOM 0 HB3 TYR A 25 27.482 1.594 2.913 1.00 0.00 H new ATOM 0 HD1 TYR A 25 29.149 -0.664 2.795 1.00 0.00 H new ATOM 0 HD2 TYR A 25 30.431 3.395 2.389 1.00 0.00 H new ATOM 0 HE1 TYR A 25 31.433 -1.307 3.417 1.00 0.00 H new ATOM 0 HE2 TYR A 25 32.704 2.729 3.004 1.00 0.00 H new ATOM 0 HH TYR A 25 34.057 1.106 3.592 1.00 0.00 H new ATOM 388 N GLY A 26 28.570 2.097 -1.286 1.00 0.00 N ATOM 389 CA GLY A 26 29.562 2.310 -2.339 1.00 0.00 C ATOM 390 C GLY A 26 29.814 1.083 -3.210 1.00 0.00 C ATOM 391 O GLY A 26 28.967 0.689 -4.027 1.00 0.00 O ATOM 0 H GLY A 26 27.761 2.715 -1.350 1.00 0.00 H new ATOM 0 HA2 GLY A 26 29.232 3.132 -2.974 1.00 0.00 H new ATOM 0 HA3 GLY A 26 30.502 2.618 -1.882 1.00 0.00 H new ATOM 395 N ASP A 27 30.986 0.467 -2.996 1.00 0.00 N ATOM 396 CA ASP A 27 31.477 -0.677 -3.790 1.00 0.00 C ATOM 397 C ASP A 27 31.688 -1.917 -2.897 1.00 0.00 C ATOM 398 O ASP A 27 32.293 -2.901 -3.331 1.00 0.00 O ATOM 399 CB ASP A 27 32.795 -0.285 -4.509 1.00 0.00 C ATOM 400 CG ASP A 27 32.648 0.980 -5.381 1.00 0.00 C ATOM 401 OD1 ASP A 27 32.040 0.905 -6.468 1.00 0.00 O ATOM 402 OD2 ASP A 27 33.120 2.070 -4.965 1.00 0.00 O ATOM 0 H ASP A 27 31.630 0.750 -2.258 1.00 0.00 H new ATOM 0 HA ASP A 27 30.728 -0.933 -4.539 1.00 0.00 H new ATOM 0 HB2 ASP A 27 33.574 -0.119 -3.765 1.00 0.00 H new ATOM 0 HB3 ASP A 27 33.123 -1.115 -5.134 1.00 0.00 H new ATOM 407 N TYR A 28 31.161 -1.877 -1.657 1.00 0.00 N ATOM 408 CA TYR A 28 31.272 -2.988 -0.686 1.00 0.00 C ATOM 409 C TYR A 28 29.899 -3.329 -0.076 1.00 0.00 C ATOM 410 O TYR A 28 29.039 -2.463 0.082 1.00 0.00 O ATOM 411 CB TYR A 28 32.286 -2.641 0.439 1.00 0.00 C ATOM 412 CG TYR A 28 33.753 -2.605 -0.024 1.00 0.00 C ATOM 413 CD1 TYR A 28 34.493 -3.786 -0.145 1.00 0.00 C ATOM 414 CD2 TYR A 28 34.390 -1.406 -0.356 1.00 0.00 C ATOM 415 CE1 TYR A 28 35.806 -3.770 -0.573 1.00 0.00 C ATOM 416 CE2 TYR A 28 35.705 -1.390 -0.789 1.00 0.00 C ATOM 417 CZ TYR A 28 36.406 -2.573 -0.895 1.00 0.00 C ATOM 418 OH TYR A 28 37.715 -2.559 -1.326 1.00 0.00 O ATOM 0 H TYR A 28 30.645 -1.073 -1.299 1.00 0.00 H new ATOM 0 HA TYR A 28 31.636 -3.863 -1.225 1.00 0.00 H new ATOM 0 HB2 TYR A 28 32.026 -1.670 0.861 1.00 0.00 H new ATOM 0 HB3 TYR A 28 32.187 -3.373 1.240 1.00 0.00 H new ATOM 0 HD1 TYR A 28 34.028 -4.729 0.101 1.00 0.00 H new ATOM 0 HD2 TYR A 28 33.847 -0.476 -0.273 1.00 0.00 H new ATOM 0 HE1 TYR A 28 36.360 -4.693 -0.655 1.00 0.00 H new ATOM 0 HE2 TYR A 28 36.180 -0.454 -1.043 1.00 0.00 H new ATOM 0 HH TYR A 28 37.988 -1.637 -1.513 1.00 0.00 H new ATOM 428 N LEU A 29 29.743 -4.608 0.283 1.00 0.00 N ATOM 429 CA LEU A 29 28.529 -5.189 0.866 1.00 0.00 C ATOM 430 C LEU A 29 28.880 -5.690 2.272 1.00 0.00 C ATOM 431 O LEU A 29 29.668 -6.628 2.420 1.00 0.00 O ATOM 432 CB LEU A 29 28.011 -6.370 -0.013 1.00 0.00 C ATOM 433 CG LEU A 29 26.798 -7.181 0.562 1.00 0.00 C ATOM 434 CD1 LEU A 29 25.512 -6.344 0.580 1.00 0.00 C ATOM 435 CD2 LEU A 29 26.581 -8.507 -0.198 1.00 0.00 C ATOM 0 H LEU A 29 30.489 -5.294 0.171 1.00 0.00 H new ATOM 0 HA LEU A 29 27.739 -4.440 0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 29 27.726 -5.973 -0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 29 28.837 -7.061 -0.179 1.00 0.00 H new ATOM 0 HG LEU A 29 27.048 -7.429 1.594 1.00 0.00 H new ATOM 0 HD11 LEU A 29 24.695 -6.941 0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 29 25.661 -5.462 1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 29 25.266 -6.033 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 29 25.732 -9.038 0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 29 26.383 -8.296 -1.249 1.00 0.00 H new ATOM 0 HD23 LEU A 29 27.475 -9.125 -0.114 1.00 0.00 H new ATOM 447 N ILE A 30 28.314 -5.039 3.291 1.00 0.00 N ATOM 448 CA ILE A 30 28.571 -5.370 4.693 1.00 0.00 C ATOM 449 C ILE A 30 27.795 -6.644 5.078 1.00 0.00 C ATOM 450 O ILE A 30 26.552 -6.644 5.139 1.00 0.00 O ATOM 451 CB ILE A 30 28.184 -4.171 5.635 1.00 0.00 C ATOM 452 CG1 ILE A 30 28.907 -2.862 5.194 1.00 0.00 C ATOM 453 CG2 ILE A 30 28.508 -4.494 7.109 1.00 0.00 C ATOM 454 CD1 ILE A 30 30.419 -2.925 5.309 1.00 0.00 C ATOM 0 H ILE A 30 27.662 -4.265 3.165 1.00 0.00 H new ATOM 0 HA ILE A 30 29.638 -5.556 4.819 1.00 0.00 H new ATOM 0 HB ILE A 30 27.108 -4.017 5.549 1.00 0.00 H new ATOM 0 HG12 ILE A 30 28.640 -2.642 4.160 1.00 0.00 H new ATOM 0 HG13 ILE A 30 28.541 -2.034 5.801 1.00 0.00 H new ATOM 0 HG21 ILE A 30 28.230 -3.647 7.737 1.00 0.00 H new ATOM 0 HG22 ILE A 30 27.948 -5.376 7.420 1.00 0.00 H new ATOM 0 HG23 ILE A 30 29.576 -4.687 7.213 1.00 0.00 H new ATOM 0 HD11 ILE A 30 30.848 -1.977 4.984 1.00 0.00 H new ATOM 0 HD12 ILE A 30 30.698 -3.113 6.346 1.00 0.00 H new ATOM 0 HD13 ILE A 30 30.799 -3.730 4.680 1.00 0.00 H new ATOM 466 N VAL A 31 28.546 -7.739 5.276 1.00 0.00 N ATOM 467 CA VAL A 31 28.010 -9.037 5.700 1.00 0.00 C ATOM 468 C VAL A 31 28.465 -9.309 7.138 1.00 0.00 C ATOM 469 O VAL A 31 29.668 -9.406 7.399 1.00 0.00 O ATOM 470 CB VAL A 31 28.502 -10.203 4.767 1.00 0.00 C ATOM 471 CG1 VAL A 31 27.827 -11.540 5.152 1.00 0.00 C ATOM 472 CG2 VAL A 31 28.280 -9.855 3.275 1.00 0.00 C ATOM 0 H VAL A 31 29.557 -7.745 5.143 1.00 0.00 H new ATOM 0 HA VAL A 31 26.922 -8.999 5.638 1.00 0.00 H new ATOM 0 HB VAL A 31 29.575 -10.325 4.913 1.00 0.00 H new ATOM 0 HG11 VAL A 31 28.184 -12.331 4.492 1.00 0.00 H new ATOM 0 HG12 VAL A 31 28.075 -11.789 6.184 1.00 0.00 H new ATOM 0 HG13 VAL A 31 26.746 -11.444 5.052 1.00 0.00 H new ATOM 0 HG21 VAL A 31 28.629 -10.679 2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 31 27.218 -9.689 3.094 1.00 0.00 H new ATOM 0 HG23 VAL A 31 28.836 -8.951 3.026 1.00 0.00 H new ATOM 482 N LYS A 32 27.507 -9.428 8.063 1.00 0.00 N ATOM 483 CA LYS A 32 27.804 -9.658 9.485 1.00 0.00 C ATOM 484 C LYS A 32 27.894 -11.173 9.722 1.00 0.00 C ATOM 485 O LYS A 32 26.916 -11.894 9.497 1.00 0.00 O ATOM 486 CB LYS A 32 26.704 -9.011 10.392 1.00 0.00 C ATOM 487 CG LYS A 32 27.093 -8.764 11.885 1.00 0.00 C ATOM 488 CD LYS A 32 27.326 -10.032 12.758 1.00 0.00 C ATOM 489 CE LYS A 32 26.033 -10.801 13.121 1.00 0.00 C ATOM 490 NZ LYS A 32 25.294 -11.337 11.949 1.00 0.00 N ATOM 0 H LYS A 32 26.511 -9.369 7.852 1.00 0.00 H new ATOM 0 HA LYS A 32 28.753 -9.190 9.747 1.00 0.00 H new ATOM 0 HB2 LYS A 32 26.416 -8.057 9.951 1.00 0.00 H new ATOM 0 HB3 LYS A 32 25.822 -9.652 10.370 1.00 0.00 H new ATOM 0 HG2 LYS A 32 28.002 -8.163 11.906 1.00 0.00 H new ATOM 0 HG3 LYS A 32 26.306 -8.169 12.349 1.00 0.00 H new ATOM 0 HD2 LYS A 32 27.999 -10.706 12.227 1.00 0.00 H new ATOM 0 HD3 LYS A 32 27.830 -9.738 13.678 1.00 0.00 H new ATOM 0 HE2 LYS A 32 26.289 -11.627 13.784 1.00 0.00 H new ATOM 0 HE3 LYS A 32 25.373 -10.137 13.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 24.736 -12.165 12.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 24.658 -10.604 11.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 25.971 -11.618 11.211 1.00 0.00 H new ATOM 504 N VAL A 33 29.073 -11.647 10.162 1.00 0.00 N ATOM 505 CA VAL A 33 29.273 -13.035 10.615 1.00 0.00 C ATOM 506 C VAL A 33 29.814 -13.001 12.062 1.00 0.00 C ATOM 507 O VAL A 33 30.770 -12.270 12.358 1.00 0.00 O ATOM 508 CB VAL A 33 30.224 -13.863 9.650 1.00 0.00 C ATOM 509 CG1 VAL A 33 29.688 -13.856 8.199 1.00 0.00 C ATOM 510 CG2 VAL A 33 31.688 -13.369 9.687 1.00 0.00 C ATOM 0 H VAL A 33 29.917 -11.076 10.214 1.00 0.00 H new ATOM 0 HA VAL A 33 28.316 -13.556 10.590 1.00 0.00 H new ATOM 0 HB VAL A 33 30.222 -14.888 10.021 1.00 0.00 H new ATOM 0 HG11 VAL A 33 30.359 -14.430 7.560 1.00 0.00 H new ATOM 0 HG12 VAL A 33 28.694 -14.303 8.176 1.00 0.00 H new ATOM 0 HG13 VAL A 33 29.633 -12.830 7.837 1.00 0.00 H new ATOM 0 HG21 VAL A 33 32.292 -13.971 9.008 1.00 0.00 H new ATOM 0 HG22 VAL A 33 31.727 -12.324 9.378 1.00 0.00 H new ATOM 0 HG23 VAL A 33 32.078 -13.463 10.700 1.00 0.00 H new ATOM 520 N GLY A 34 29.163 -13.756 12.967 1.00 0.00 N ATOM 521 CA GLY A 34 29.536 -13.786 14.389 1.00 0.00 C ATOM 522 C GLY A 34 29.420 -12.421 15.075 1.00 0.00 C ATOM 523 O GLY A 34 28.321 -11.994 15.432 1.00 0.00 O ATOM 0 H GLY A 34 28.372 -14.356 12.734 1.00 0.00 H new ATOM 0 HA2 GLY A 34 28.899 -14.502 14.909 1.00 0.00 H new ATOM 0 HA3 GLY A 34 30.561 -14.145 14.481 1.00 0.00 H new ATOM 527 N THR A 35 30.563 -11.728 15.228 1.00 0.00 N ATOM 528 CA THR A 35 30.646 -10.412 15.902 1.00 0.00 C ATOM 529 C THR A 35 31.309 -9.349 14.976 1.00 0.00 C ATOM 530 O THR A 35 31.336 -8.152 15.298 1.00 0.00 O ATOM 531 CB THR A 35 31.436 -10.565 17.257 1.00 0.00 C ATOM 532 OG1 THR A 35 30.881 -11.668 18.001 1.00 0.00 O ATOM 533 CG2 THR A 35 31.376 -9.300 18.141 1.00 0.00 C ATOM 0 H THR A 35 31.463 -12.065 14.886 1.00 0.00 H new ATOM 0 HA THR A 35 29.638 -10.061 16.122 1.00 0.00 H new ATOM 0 HB THR A 35 32.481 -10.736 16.999 1.00 0.00 H new ATOM 0 HG1 THR A 35 31.368 -11.771 18.845 1.00 0.00 H new ATOM 0 HG21 THR A 35 31.939 -9.470 19.059 1.00 0.00 H new ATOM 0 HG22 THR A 35 31.809 -8.458 17.601 1.00 0.00 H new ATOM 0 HG23 THR A 35 30.338 -9.078 18.388 1.00 0.00 H new ATOM 541 N GLU A 36 31.790 -9.783 13.793 1.00 0.00 N ATOM 542 CA GLU A 36 32.572 -8.927 12.871 1.00 0.00 C ATOM 543 C GLU A 36 31.835 -8.730 11.532 1.00 0.00 C ATOM 544 O GLU A 36 31.019 -9.564 11.119 1.00 0.00 O ATOM 545 CB GLU A 36 33.983 -9.535 12.654 1.00 0.00 C ATOM 546 CG GLU A 36 33.986 -10.995 12.168 1.00 0.00 C ATOM 547 CD GLU A 36 35.396 -11.598 12.068 1.00 0.00 C ATOM 548 OE1 GLU A 36 35.930 -12.046 13.106 1.00 0.00 O ATOM 549 OE2 GLU A 36 35.971 -11.634 10.966 1.00 0.00 O ATOM 0 H GLU A 36 31.649 -10.733 13.449 1.00 0.00 H new ATOM 0 HA GLU A 36 32.685 -7.942 13.323 1.00 0.00 H new ATOM 0 HB2 GLU A 36 34.520 -8.924 11.928 1.00 0.00 H new ATOM 0 HB3 GLU A 36 34.537 -9.477 13.591 1.00 0.00 H new ATOM 0 HG2 GLU A 36 33.387 -11.599 12.850 1.00 0.00 H new ATOM 0 HG3 GLU A 36 33.506 -11.047 11.191 1.00 0.00 H new ATOM 556 N PHE A 37 32.149 -7.601 10.873 1.00 0.00 N ATOM 557 CA PHE A 37 31.501 -7.160 9.627 1.00 0.00 C ATOM 558 C PHE A 37 32.519 -7.241 8.471 1.00 0.00 C ATOM 559 O PHE A 37 33.485 -6.470 8.422 1.00 0.00 O ATOM 560 CB PHE A 37 30.963 -5.707 9.795 1.00 0.00 C ATOM 561 CG PHE A 37 29.902 -5.542 10.898 1.00 0.00 C ATOM 562 CD1 PHE A 37 30.262 -5.535 12.252 1.00 0.00 C ATOM 563 CD2 PHE A 37 28.553 -5.382 10.588 1.00 0.00 C ATOM 564 CE1 PHE A 37 29.311 -5.382 13.244 1.00 0.00 C ATOM 565 CE2 PHE A 37 27.603 -5.224 11.582 1.00 0.00 C ATOM 566 CZ PHE A 37 27.983 -5.222 12.911 1.00 0.00 C ATOM 0 H PHE A 37 32.872 -6.959 11.197 1.00 0.00 H new ATOM 0 HA PHE A 37 30.656 -7.809 9.398 1.00 0.00 H new ATOM 0 HB2 PHE A 37 31.802 -5.046 10.013 1.00 0.00 H new ATOM 0 HB3 PHE A 37 30.537 -5.379 8.847 1.00 0.00 H new ATOM 0 HD1 PHE A 37 31.300 -5.651 12.526 1.00 0.00 H new ATOM 0 HD2 PHE A 37 28.243 -5.381 9.553 1.00 0.00 H new ATOM 0 HE1 PHE A 37 29.609 -5.388 14.282 1.00 0.00 H new ATOM 0 HE2 PHE A 37 26.563 -5.102 11.319 1.00 0.00 H new ATOM 0 HZ PHE A 37 27.242 -5.095 13.686 1.00 0.00 H new ATOM 576 N LEU A 38 32.297 -8.205 7.566 1.00 0.00 N ATOM 577 CA LEU A 38 33.141 -8.447 6.386 1.00 0.00 C ATOM 578 C LEU A 38 32.533 -7.728 5.178 1.00 0.00 C ATOM 579 O LEU A 38 31.487 -8.144 4.654 1.00 0.00 O ATOM 580 CB LEU A 38 33.273 -9.977 6.098 1.00 0.00 C ATOM 581 CG LEU A 38 34.214 -10.801 7.036 1.00 0.00 C ATOM 582 CD1 LEU A 38 35.679 -10.369 6.891 1.00 0.00 C ATOM 583 CD2 LEU A 38 33.766 -10.739 8.502 1.00 0.00 C ATOM 0 H LEU A 38 31.511 -8.851 7.635 1.00 0.00 H new ATOM 0 HA LEU A 38 34.141 -8.058 6.579 1.00 0.00 H new ATOM 0 HB2 LEU A 38 32.277 -10.417 6.147 1.00 0.00 H new ATOM 0 HB3 LEU A 38 33.625 -10.099 5.074 1.00 0.00 H new ATOM 0 HG LEU A 38 34.139 -11.840 6.716 1.00 0.00 H new ATOM 0 HD11 LEU A 38 36.302 -10.964 7.559 1.00 0.00 H new ATOM 0 HD12 LEU A 38 36.003 -10.521 5.861 1.00 0.00 H new ATOM 0 HD13 LEU A 38 35.775 -9.315 7.150 1.00 0.00 H new ATOM 0 HD21 LEU A 38 34.449 -11.326 9.116 1.00 0.00 H new ATOM 0 HD22 LEU A 38 33.772 -9.703 8.841 1.00 0.00 H new ATOM 0 HD23 LEU A 38 32.758 -11.144 8.592 1.00 0.00 H new ATOM 595 N ALA A 39 33.178 -6.633 4.770 1.00 0.00 N ATOM 596 CA ALA A 39 32.770 -5.856 3.598 1.00 0.00 C ATOM 597 C ALA A 39 33.268 -6.537 2.314 1.00 0.00 C ATOM 598 O ALA A 39 34.432 -6.372 1.922 1.00 0.00 O ATOM 599 CB ALA A 39 33.295 -4.420 3.719 1.00 0.00 C ATOM 0 H ALA A 39 34.000 -6.259 5.244 1.00 0.00 H new ATOM 0 HA ALA A 39 31.682 -5.813 3.548 1.00 0.00 H new ATOM 0 HB1 ALA A 39 32.989 -3.846 2.845 1.00 0.00 H new ATOM 0 HB2 ALA A 39 32.887 -3.958 4.618 1.00 0.00 H new ATOM 0 HB3 ALA A 39 34.383 -4.434 3.781 1.00 0.00 H new ATOM 605 N VAL A 40 32.392 -7.348 1.697 1.00 0.00 N ATOM 606 CA VAL A 40 32.703 -8.078 0.456 1.00 0.00 C ATOM 607 C VAL A 40 32.386 -7.165 -0.761 1.00 0.00 C ATOM 608 O VAL A 40 31.286 -6.628 -0.847 1.00 0.00 O ATOM 609 CB VAL A 40 31.920 -9.464 0.394 1.00 0.00 C ATOM 610 CG1 VAL A 40 32.150 -10.273 1.690 1.00 0.00 C ATOM 611 CG2 VAL A 40 30.401 -9.305 0.131 1.00 0.00 C ATOM 0 H VAL A 40 31.448 -7.516 2.045 1.00 0.00 H new ATOM 0 HA VAL A 40 33.764 -8.327 0.432 1.00 0.00 H new ATOM 0 HB VAL A 40 32.329 -10.005 -0.459 1.00 0.00 H new ATOM 0 HG11 VAL A 40 31.608 -11.217 1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 40 33.215 -10.473 1.810 1.00 0.00 H new ATOM 0 HG13 VAL A 40 31.790 -9.701 2.545 1.00 0.00 H new ATOM 0 HG21 VAL A 40 29.932 -10.288 0.102 1.00 0.00 H new ATOM 0 HG22 VAL A 40 29.953 -8.713 0.930 1.00 0.00 H new ATOM 0 HG23 VAL A 40 30.248 -8.801 -0.823 1.00 0.00 H new ATOM 621 N PRO A 41 33.351 -6.937 -1.711 1.00 0.00 N ATOM 622 CA PRO A 41 33.138 -6.016 -2.865 1.00 0.00 C ATOM 623 C PRO A 41 31.988 -6.482 -3.790 1.00 0.00 C ATOM 624 O PRO A 41 31.711 -7.678 -3.884 1.00 0.00 O ATOM 625 CB PRO A 41 34.511 -6.019 -3.590 1.00 0.00 C ATOM 626 CG PRO A 41 35.145 -7.313 -3.176 1.00 0.00 C ATOM 627 CD PRO A 41 34.705 -7.545 -1.746 1.00 0.00 C ATOM 0 HA PRO A 41 32.830 -5.019 -2.550 1.00 0.00 H new ATOM 0 HB2 PRO A 41 34.390 -5.963 -4.672 1.00 0.00 H new ATOM 0 HB3 PRO A 41 35.120 -5.165 -3.293 1.00 0.00 H new ATOM 0 HG2 PRO A 41 34.824 -8.130 -3.822 1.00 0.00 H new ATOM 0 HG3 PRO A 41 36.231 -7.257 -3.247 1.00 0.00 H new ATOM 0 HD2 PRO A 41 34.677 -8.606 -1.499 1.00 0.00 H new ATOM 0 HD3 PRO A 41 35.380 -7.070 -1.034 1.00 0.00 H new ATOM 635 N LYS A 42 31.335 -5.519 -4.471 1.00 0.00 N ATOM 636 CA LYS A 42 30.148 -5.779 -5.330 1.00 0.00 C ATOM 637 C LYS A 42 30.502 -6.662 -6.545 1.00 0.00 C ATOM 638 O LYS A 42 29.633 -7.326 -7.115 1.00 0.00 O ATOM 639 CB LYS A 42 29.487 -4.440 -5.788 1.00 0.00 C ATOM 640 CG LYS A 42 28.950 -3.543 -4.644 1.00 0.00 C ATOM 641 CD LYS A 42 27.865 -4.232 -3.782 1.00 0.00 C ATOM 642 CE LYS A 42 26.571 -4.554 -4.562 1.00 0.00 C ATOM 643 NZ LYS A 42 25.894 -3.326 -5.068 1.00 0.00 N ATOM 0 H LYS A 42 31.611 -4.537 -4.445 1.00 0.00 H new ATOM 0 HA LYS A 42 29.425 -6.329 -4.728 1.00 0.00 H new ATOM 0 HB2 LYS A 42 30.218 -3.870 -6.362 1.00 0.00 H new ATOM 0 HB3 LYS A 42 28.663 -4.672 -6.463 1.00 0.00 H new ATOM 0 HG2 LYS A 42 29.781 -3.249 -4.003 1.00 0.00 H new ATOM 0 HG3 LYS A 42 28.538 -2.629 -5.072 1.00 0.00 H new ATOM 0 HD2 LYS A 42 28.271 -5.156 -3.371 1.00 0.00 H new ATOM 0 HD3 LYS A 42 27.620 -3.588 -2.937 1.00 0.00 H new ATOM 0 HE2 LYS A 42 26.809 -5.207 -5.402 1.00 0.00 H new ATOM 0 HE3 LYS A 42 25.887 -5.103 -3.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 24.989 -3.586 -5.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 25.718 -2.675 -4.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 26.502 -2.859 -5.771 1.00 0.00 H new ATOM 657 N LYS A 43 31.794 -6.657 -6.921 1.00 0.00 N ATOM 658 CA LYS A 43 32.331 -7.509 -8.001 1.00 0.00 C ATOM 659 C LYS A 43 32.373 -8.995 -7.576 1.00 0.00 C ATOM 660 O LYS A 43 32.332 -9.890 -8.431 1.00 0.00 O ATOM 661 CB LYS A 43 33.741 -7.014 -8.410 1.00 0.00 C ATOM 662 CG LYS A 43 34.797 -7.071 -7.278 1.00 0.00 C ATOM 663 CD LYS A 43 36.168 -6.483 -7.687 1.00 0.00 C ATOM 664 CE LYS A 43 36.838 -7.250 -8.845 1.00 0.00 C ATOM 665 NZ LYS A 43 38.138 -6.643 -9.236 1.00 0.00 N ATOM 0 H LYS A 43 32.497 -6.061 -6.484 1.00 0.00 H new ATOM 0 HA LYS A 43 31.666 -7.434 -8.861 1.00 0.00 H new ATOM 0 HB2 LYS A 43 34.094 -7.614 -9.249 1.00 0.00 H new ATOM 0 HB3 LYS A 43 33.662 -5.986 -8.765 1.00 0.00 H new ATOM 0 HG2 LYS A 43 34.420 -6.527 -6.412 1.00 0.00 H new ATOM 0 HG3 LYS A 43 34.932 -8.108 -6.969 1.00 0.00 H new ATOM 0 HD2 LYS A 43 36.037 -5.441 -7.978 1.00 0.00 H new ATOM 0 HD3 LYS A 43 36.832 -6.491 -6.823 1.00 0.00 H new ATOM 0 HE2 LYS A 43 36.996 -8.287 -8.549 1.00 0.00 H new ATOM 0 HE3 LYS A 43 36.170 -7.262 -9.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 38.555 -7.189 -10.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 37.984 -5.661 -9.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 38.785 -6.654 -8.422 1.00 0.00 H new ATOM 679 N SER A 44 32.458 -9.241 -6.251 1.00 0.00 N ATOM 680 CA SER A 44 32.430 -10.598 -5.688 1.00 0.00 C ATOM 681 C SER A 44 31.008 -11.185 -5.791 1.00 0.00 C ATOM 682 O SER A 44 30.858 -12.393 -5.953 1.00 0.00 O ATOM 683 CB SER A 44 32.923 -10.599 -4.219 1.00 0.00 C ATOM 684 OG SER A 44 33.012 -11.917 -3.687 1.00 0.00 O ATOM 0 H SER A 44 32.547 -8.506 -5.550 1.00 0.00 H new ATOM 0 HA SER A 44 33.108 -11.226 -6.265 1.00 0.00 H new ATOM 0 HB2 SER A 44 33.900 -10.119 -4.164 1.00 0.00 H new ATOM 0 HB3 SER A 44 32.242 -10.007 -3.608 1.00 0.00 H new ATOM 0 HG SER A 44 33.954 -12.181 -3.622 1.00 0.00 H new ATOM 690 N ILE A 45 29.964 -10.315 -5.712 1.00 0.00 N ATOM 691 CA ILE A 45 28.555 -10.750 -5.843 1.00 0.00 C ATOM 692 C ILE A 45 28.347 -11.358 -7.251 1.00 0.00 C ATOM 693 O ILE A 45 28.489 -10.673 -8.269 1.00 0.00 O ATOM 694 CB ILE A 45 27.506 -9.580 -5.563 1.00 0.00 C ATOM 695 CG1 ILE A 45 27.424 -9.188 -4.040 1.00 0.00 C ATOM 696 CG2 ILE A 45 26.084 -9.946 -6.088 1.00 0.00 C ATOM 697 CD1 ILE A 45 28.704 -8.684 -3.394 1.00 0.00 C ATOM 0 H ILE A 45 30.076 -9.313 -5.559 1.00 0.00 H new ATOM 0 HA ILE A 45 28.365 -11.502 -5.077 1.00 0.00 H new ATOM 0 HB ILE A 45 27.876 -8.714 -6.111 1.00 0.00 H new ATOM 0 HG12 ILE A 45 26.660 -8.418 -3.928 1.00 0.00 H new ATOM 0 HG13 ILE A 45 27.082 -10.060 -3.482 1.00 0.00 H new ATOM 0 HG21 ILE A 45 25.397 -9.126 -5.880 1.00 0.00 H new ATOM 0 HG22 ILE A 45 26.127 -10.119 -7.163 1.00 0.00 H new ATOM 0 HG23 ILE A 45 25.733 -10.849 -5.589 1.00 0.00 H new ATOM 0 HD11 ILE A 45 28.515 -8.449 -2.347 1.00 0.00 H new ATOM 0 HD12 ILE A 45 29.472 -9.454 -3.460 1.00 0.00 H new ATOM 0 HD13 ILE A 45 29.044 -7.787 -3.912 1.00 0.00 H new ATOM 709 N LYS A 46 28.056 -12.663 -7.267 1.00 0.00 N ATOM 710 CA LYS A 46 27.891 -13.471 -8.483 1.00 0.00 C ATOM 711 C LYS A 46 26.425 -13.471 -8.944 1.00 0.00 C ATOM 712 O LYS A 46 26.122 -13.112 -10.088 1.00 0.00 O ATOM 713 CB LYS A 46 28.377 -14.920 -8.197 1.00 0.00 C ATOM 714 CG LYS A 46 29.854 -15.027 -7.736 1.00 0.00 C ATOM 715 CD LYS A 46 30.848 -14.384 -8.735 1.00 0.00 C ATOM 716 CE LYS A 46 32.300 -14.402 -8.239 1.00 0.00 C ATOM 717 NZ LYS A 46 32.824 -15.783 -8.039 1.00 0.00 N ATOM 0 H LYS A 46 27.925 -13.203 -6.411 1.00 0.00 H new ATOM 0 HA LYS A 46 28.488 -13.040 -9.286 1.00 0.00 H new ATOM 0 HB2 LYS A 46 27.738 -15.359 -7.430 1.00 0.00 H new ATOM 0 HB3 LYS A 46 28.248 -15.517 -9.100 1.00 0.00 H new ATOM 0 HG2 LYS A 46 29.961 -14.545 -6.764 1.00 0.00 H new ATOM 0 HG3 LYS A 46 30.112 -16.078 -7.601 1.00 0.00 H new ATOM 0 HD2 LYS A 46 30.789 -14.912 -9.687 1.00 0.00 H new ATOM 0 HD3 LYS A 46 30.548 -13.353 -8.924 1.00 0.00 H new ATOM 0 HE2 LYS A 46 32.931 -13.879 -8.957 1.00 0.00 H new ATOM 0 HE3 LYS A 46 32.365 -13.854 -7.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 33.807 -15.736 -7.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 32.241 -16.277 -7.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 32.790 -16.301 -8.940 1.00 0.00 H new ATOM 731 N SER A 47 25.523 -13.875 -8.036 1.00 0.00 N ATOM 732 CA SER A 47 24.084 -13.987 -8.320 1.00 0.00 C ATOM 733 C SER A 47 23.271 -13.364 -7.178 1.00 0.00 C ATOM 734 O SER A 47 23.474 -13.698 -6.007 1.00 0.00 O ATOM 735 CB SER A 47 23.698 -15.474 -8.503 1.00 0.00 C ATOM 736 OG SER A 47 24.432 -16.066 -9.557 1.00 0.00 O ATOM 0 H SER A 47 25.772 -14.134 -7.081 1.00 0.00 H new ATOM 0 HA SER A 47 23.861 -13.449 -9.241 1.00 0.00 H new ATOM 0 HB2 SER A 47 23.884 -16.018 -7.577 1.00 0.00 H new ATOM 0 HB3 SER A 47 22.631 -15.553 -8.710 1.00 0.00 H new ATOM 0 HG SER A 47 24.170 -17.006 -9.650 1.00 0.00 H new ATOM 742 N VAL A 48 22.367 -12.438 -7.529 1.00 0.00 N ATOM 743 CA VAL A 48 21.393 -11.869 -6.583 1.00 0.00 C ATOM 744 C VAL A 48 20.062 -12.640 -6.716 1.00 0.00 C ATOM 745 O VAL A 48 19.373 -12.562 -7.736 1.00 0.00 O ATOM 746 CB VAL A 48 21.207 -10.308 -6.788 1.00 0.00 C ATOM 747 CG1 VAL A 48 20.889 -9.930 -8.261 1.00 0.00 C ATOM 748 CG2 VAL A 48 20.149 -9.729 -5.802 1.00 0.00 C ATOM 0 H VAL A 48 22.289 -12.062 -8.474 1.00 0.00 H new ATOM 0 HA VAL A 48 21.769 -11.986 -5.567 1.00 0.00 H new ATOM 0 HB VAL A 48 22.166 -9.845 -6.555 1.00 0.00 H new ATOM 0 HG11 VAL A 48 20.772 -8.849 -8.342 1.00 0.00 H new ATOM 0 HG12 VAL A 48 21.706 -10.256 -8.905 1.00 0.00 H new ATOM 0 HG13 VAL A 48 19.966 -10.419 -8.571 1.00 0.00 H new ATOM 0 HG21 VAL A 48 20.045 -8.657 -5.968 1.00 0.00 H new ATOM 0 HG22 VAL A 48 19.189 -10.217 -5.971 1.00 0.00 H new ATOM 0 HG23 VAL A 48 20.472 -9.907 -4.776 1.00 0.00 H new ATOM 758 N GLU A 49 19.739 -13.426 -5.679 1.00 0.00 N ATOM 759 CA GLU A 49 18.530 -14.269 -5.622 1.00 0.00 C ATOM 760 C GLU A 49 17.556 -13.719 -4.562 1.00 0.00 C ATOM 761 O GLU A 49 17.925 -12.850 -3.750 1.00 0.00 O ATOM 762 CB GLU A 49 18.921 -15.739 -5.282 1.00 0.00 C ATOM 763 CG GLU A 49 19.947 -16.386 -6.240 1.00 0.00 C ATOM 764 CD GLU A 49 19.484 -16.427 -7.713 1.00 0.00 C ATOM 765 OE1 GLU A 49 18.485 -17.127 -8.017 1.00 0.00 O ATOM 766 OE2 GLU A 49 20.116 -15.775 -8.578 1.00 0.00 O ATOM 0 H GLU A 49 20.318 -13.497 -4.842 1.00 0.00 H new ATOM 0 HA GLU A 49 18.038 -14.253 -6.595 1.00 0.00 H new ATOM 0 HB2 GLU A 49 19.326 -15.766 -4.270 1.00 0.00 H new ATOM 0 HB3 GLU A 49 18.017 -16.347 -5.280 1.00 0.00 H new ATOM 0 HG2 GLU A 49 20.885 -15.835 -6.179 1.00 0.00 H new ATOM 0 HG3 GLU A 49 20.152 -17.403 -5.905 1.00 0.00 H new ATOM 773 N ASP A 50 16.324 -14.244 -4.575 1.00 0.00 N ATOM 774 CA ASP A 50 15.264 -13.868 -3.627 1.00 0.00 C ATOM 775 C ASP A 50 15.641 -14.289 -2.185 1.00 0.00 C ATOM 776 O ASP A 50 15.526 -15.456 -1.814 1.00 0.00 O ATOM 777 CB ASP A 50 13.898 -14.470 -4.088 1.00 0.00 C ATOM 778 CG ASP A 50 13.928 -15.991 -4.353 1.00 0.00 C ATOM 779 OD1 ASP A 50 14.340 -16.399 -5.464 1.00 0.00 O ATOM 780 OD2 ASP A 50 13.553 -16.783 -3.454 1.00 0.00 O ATOM 0 H ASP A 50 16.031 -14.949 -5.251 1.00 0.00 H new ATOM 0 HA ASP A 50 15.157 -12.783 -3.617 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.147 -14.261 -3.326 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.579 -13.961 -4.998 1.00 0.00 H new ATOM 785 N GLY A 51 16.162 -13.322 -1.394 1.00 0.00 N ATOM 786 CA GLY A 51 16.560 -13.574 0.000 1.00 0.00 C ATOM 787 C GLY A 51 17.894 -14.307 0.142 1.00 0.00 C ATOM 788 O GLY A 51 18.241 -14.764 1.243 1.00 0.00 O ATOM 0 H GLY A 51 16.314 -12.362 -1.703 1.00 0.00 H new ATOM 0 HA2 GLY A 51 16.622 -12.622 0.527 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.781 -14.159 0.489 1.00 0.00 H new ATOM 792 N ARG A 52 18.650 -14.409 -0.967 1.00 0.00 N ATOM 793 CA ARG A 52 19.980 -15.047 -1.002 1.00 0.00 C ATOM 794 C ARG A 52 20.932 -14.198 -1.852 1.00 0.00 C ATOM 795 O ARG A 52 20.602 -13.860 -2.983 1.00 0.00 O ATOM 796 CB ARG A 52 19.906 -16.489 -1.594 1.00 0.00 C ATOM 797 CG ARG A 52 19.159 -17.521 -0.724 1.00 0.00 C ATOM 798 CD ARG A 52 19.233 -18.953 -1.284 1.00 0.00 C ATOM 799 NE ARG A 52 18.733 -19.957 -0.318 1.00 0.00 N ATOM 800 CZ ARG A 52 18.562 -21.264 -0.577 1.00 0.00 C ATOM 801 NH1 ARG A 52 18.746 -21.749 -1.798 1.00 0.00 N ATOM 802 NH2 ARG A 52 18.192 -22.082 0.395 1.00 0.00 N ATOM 0 H ARG A 52 18.352 -14.047 -1.873 1.00 0.00 H new ATOM 0 HA ARG A 52 20.349 -15.117 0.021 1.00 0.00 H new ATOM 0 HB2 ARG A 52 19.420 -16.440 -2.568 1.00 0.00 H new ATOM 0 HB3 ARG A 52 20.921 -16.847 -1.763 1.00 0.00 H new ATOM 0 HG2 ARG A 52 19.578 -17.509 0.282 1.00 0.00 H new ATOM 0 HG3 ARG A 52 18.113 -17.225 -0.638 1.00 0.00 H new ATOM 0 HD2 ARG A 52 18.649 -19.013 -2.203 1.00 0.00 H new ATOM 0 HD3 ARG A 52 20.265 -19.186 -1.546 1.00 0.00 H new ATOM 0 HE ARG A 52 18.500 -19.630 0.620 1.00 0.00 H new ATOM 0 HH11 ARG A 52 19.022 -21.127 -2.558 1.00 0.00 H new ATOM 0 HH12 ARG A 52 18.612 -22.744 -1.977 1.00 0.00 H new ATOM 0 HH21 ARG A 52 18.038 -21.719 1.336 1.00 0.00 H new ATOM 0 HH22 ARG A 52 18.061 -23.075 0.203 1.00 0.00 H new ATOM 816 N ILE A 53 22.102 -13.839 -1.303 1.00 0.00 N ATOM 817 CA ILE A 53 23.163 -13.157 -2.069 1.00 0.00 C ATOM 818 C ILE A 53 24.344 -14.124 -2.255 1.00 0.00 C ATOM 819 O ILE A 53 25.118 -14.357 -1.321 1.00 0.00 O ATOM 820 CB ILE A 53 23.657 -11.836 -1.359 1.00 0.00 C ATOM 821 CG1 ILE A 53 22.473 -10.853 -1.085 1.00 0.00 C ATOM 822 CG2 ILE A 53 24.763 -11.138 -2.189 1.00 0.00 C ATOM 823 CD1 ILE A 53 21.741 -10.360 -2.331 1.00 0.00 C ATOM 0 H ILE A 53 22.341 -14.010 -0.326 1.00 0.00 H new ATOM 0 HA ILE A 53 22.750 -12.867 -3.035 1.00 0.00 H new ATOM 0 HB ILE A 53 24.080 -12.124 -0.397 1.00 0.00 H new ATOM 0 HG12 ILE A 53 21.754 -11.347 -0.432 1.00 0.00 H new ATOM 0 HG13 ILE A 53 22.856 -9.989 -0.542 1.00 0.00 H new ATOM 0 HG21 ILE A 53 25.085 -10.231 -1.677 1.00 0.00 H new ATOM 0 HG22 ILE A 53 25.613 -11.811 -2.302 1.00 0.00 H new ATOM 0 HG23 ILE A 53 24.371 -10.879 -3.173 1.00 0.00 H new ATOM 0 HD11 ILE A 53 20.938 -9.684 -2.038 1.00 0.00 H new ATOM 0 HD12 ILE A 53 22.441 -9.832 -2.979 1.00 0.00 H new ATOM 0 HD13 ILE A 53 21.321 -11.211 -2.867 1.00 0.00 H new ATOM 835 N VAL A 54 24.468 -14.698 -3.462 1.00 0.00 N ATOM 836 CA VAL A 54 25.600 -15.544 -3.816 1.00 0.00 C ATOM 837 C VAL A 54 26.769 -14.631 -4.191 1.00 0.00 C ATOM 838 O VAL A 54 26.684 -13.883 -5.162 1.00 0.00 O ATOM 839 CB VAL A 54 25.252 -16.528 -4.997 1.00 0.00 C ATOM 840 CG1 VAL A 54 26.479 -17.390 -5.407 1.00 0.00 C ATOM 841 CG2 VAL A 54 24.033 -17.420 -4.628 1.00 0.00 C ATOM 0 H VAL A 54 23.785 -14.585 -4.211 1.00 0.00 H new ATOM 0 HA VAL A 54 25.865 -16.171 -2.964 1.00 0.00 H new ATOM 0 HB VAL A 54 24.981 -15.924 -5.863 1.00 0.00 H new ATOM 0 HG11 VAL A 54 26.200 -18.056 -6.224 1.00 0.00 H new ATOM 0 HG12 VAL A 54 27.290 -16.738 -5.732 1.00 0.00 H new ATOM 0 HG13 VAL A 54 26.809 -17.982 -4.553 1.00 0.00 H new ATOM 0 HG21 VAL A 54 23.810 -18.092 -5.457 1.00 0.00 H new ATOM 0 HG22 VAL A 54 24.267 -18.006 -3.739 1.00 0.00 H new ATOM 0 HG23 VAL A 54 23.167 -16.789 -4.429 1.00 0.00 H new ATOM 851 N ILE A 55 27.818 -14.662 -3.369 1.00 0.00 N ATOM 852 CA ILE A 55 29.077 -13.948 -3.614 1.00 0.00 C ATOM 853 C ILE A 55 30.146 -14.972 -4.016 1.00 0.00 C ATOM 854 O ILE A 55 29.859 -16.165 -4.116 1.00 0.00 O ATOM 855 CB ILE A 55 29.558 -13.118 -2.352 1.00 0.00 C ATOM 856 CG1 ILE A 55 29.993 -14.054 -1.176 1.00 0.00 C ATOM 857 CG2 ILE A 55 28.455 -12.139 -1.891 1.00 0.00 C ATOM 858 CD1 ILE A 55 30.650 -13.359 0.009 1.00 0.00 C ATOM 0 H ILE A 55 27.819 -15.193 -2.498 1.00 0.00 H new ATOM 0 HA ILE A 55 28.914 -13.227 -4.415 1.00 0.00 H new ATOM 0 HB ILE A 55 30.432 -12.541 -2.652 1.00 0.00 H new ATOM 0 HG12 ILE A 55 29.114 -14.590 -0.818 1.00 0.00 H new ATOM 0 HG13 ILE A 55 30.685 -14.800 -1.566 1.00 0.00 H new ATOM 0 HG21 ILE A 55 28.805 -11.579 -1.024 1.00 0.00 H new ATOM 0 HG22 ILE A 55 28.222 -11.447 -2.700 1.00 0.00 H new ATOM 0 HG23 ILE A 55 27.559 -12.700 -1.624 1.00 0.00 H new ATOM 0 HD11 ILE A 55 30.911 -14.099 0.766 1.00 0.00 H new ATOM 0 HD12 ILE A 55 31.552 -12.846 -0.324 1.00 0.00 H new ATOM 0 HD13 ILE A 55 29.957 -12.634 0.435 1.00 0.00 H new ATOM 870 N GLY A 56 31.356 -14.492 -4.306 1.00 0.00 N ATOM 871 CA GLY A 56 32.490 -15.356 -4.584 1.00 0.00 C ATOM 872 C GLY A 56 33.385 -15.446 -3.371 1.00 0.00 C ATOM 873 O GLY A 56 32.941 -15.873 -2.299 1.00 0.00 O ATOM 0 H GLY A 56 31.571 -13.496 -4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 56 32.140 -16.350 -4.862 1.00 0.00 H new ATOM 0 HA3 GLY A 56 33.053 -14.968 -5.433 1.00 0.00 H new ATOM 877 N GLU A 57 34.648 -15.022 -3.531 1.00 0.00 N ATOM 878 CA GLU A 57 35.640 -14.990 -2.450 1.00 0.00 C ATOM 879 C GLU A 57 36.329 -13.619 -2.439 1.00 0.00 C ATOM 880 O GLU A 57 36.206 -12.837 -3.393 1.00 0.00 O ATOM 881 CB GLU A 57 36.662 -16.151 -2.601 1.00 0.00 C ATOM 882 CG GLU A 57 36.015 -17.552 -2.594 1.00 0.00 C ATOM 883 CD GLU A 57 37.034 -18.694 -2.546 1.00 0.00 C ATOM 884 OE1 GLU A 57 37.771 -18.891 -3.532 1.00 0.00 O ATOM 885 OE2 GLU A 57 37.106 -19.402 -1.522 1.00 0.00 O ATOM 0 H GLU A 57 35.011 -14.689 -4.424 1.00 0.00 H new ATOM 0 HA GLU A 57 35.141 -15.134 -1.492 1.00 0.00 H new ATOM 0 HB2 GLU A 57 37.213 -16.020 -3.532 1.00 0.00 H new ATOM 0 HB3 GLU A 57 37.388 -16.092 -1.790 1.00 0.00 H new ATOM 0 HG2 GLU A 57 35.350 -17.632 -1.734 1.00 0.00 H new ATOM 0 HG3 GLU A 57 35.398 -17.663 -3.486 1.00 0.00 H new ATOM 892 N PHE A 58 37.047 -13.349 -1.345 1.00 0.00 N ATOM 893 CA PHE A 58 37.585 -12.018 -1.018 1.00 0.00 C ATOM 894 C PHE A 58 38.678 -12.161 0.060 1.00 0.00 C ATOM 895 O PHE A 58 38.830 -13.235 0.663 1.00 0.00 O ATOM 896 CB PHE A 58 36.430 -11.104 -0.508 1.00 0.00 C ATOM 897 CG PHE A 58 35.771 -11.606 0.784 1.00 0.00 C ATOM 898 CD1 PHE A 58 34.918 -12.718 0.780 1.00 0.00 C ATOM 899 CD2 PHE A 58 36.021 -10.984 2.001 1.00 0.00 C ATOM 900 CE1 PHE A 58 34.351 -13.182 1.951 1.00 0.00 C ATOM 901 CE2 PHE A 58 35.447 -11.447 3.165 1.00 0.00 C ATOM 902 CZ PHE A 58 34.619 -12.541 3.142 1.00 0.00 C ATOM 0 H PHE A 58 37.276 -14.058 -0.648 1.00 0.00 H new ATOM 0 HA PHE A 58 38.024 -11.565 -1.907 1.00 0.00 H new ATOM 0 HB2 PHE A 58 36.820 -10.100 -0.340 1.00 0.00 H new ATOM 0 HB3 PHE A 58 35.671 -11.025 -1.286 1.00 0.00 H new ATOM 0 HD1 PHE A 58 34.701 -13.219 -0.152 1.00 0.00 H new ATOM 0 HD2 PHE A 58 36.675 -10.125 2.035 1.00 0.00 H new ATOM 0 HE1 PHE A 58 33.700 -14.044 1.934 1.00 0.00 H new ATOM 0 HE2 PHE A 58 35.650 -10.946 4.100 1.00 0.00 H new ATOM 0 HZ PHE A 58 34.176 -12.901 4.059 1.00 0.00 H new ATOM 912 N ASP A 59 39.430 -11.074 0.294 1.00 0.00 N ATOM 913 CA ASP A 59 40.445 -11.008 1.357 1.00 0.00 C ATOM 914 C ASP A 59 39.751 -10.693 2.686 1.00 0.00 C ATOM 915 O ASP A 59 39.389 -9.545 2.953 1.00 0.00 O ATOM 916 CB ASP A 59 41.529 -9.947 1.025 1.00 0.00 C ATOM 917 CG ASP A 59 42.167 -10.157 -0.360 1.00 0.00 C ATOM 918 OD1 ASP A 59 42.978 -11.107 -0.521 1.00 0.00 O ATOM 919 OD2 ASP A 59 41.842 -9.402 -1.304 1.00 0.00 O ATOM 0 H ASP A 59 39.351 -10.215 -0.250 1.00 0.00 H new ATOM 0 HA ASP A 59 40.952 -11.970 1.435 1.00 0.00 H new ATOM 0 HB2 ASP A 59 41.083 -8.953 1.067 1.00 0.00 H new ATOM 0 HB3 ASP A 59 42.308 -9.979 1.787 1.00 0.00 H new ATOM 924 N GLU A 60 39.531 -11.746 3.481 1.00 0.00 N ATOM 925 CA GLU A 60 38.797 -11.676 4.759 1.00 0.00 C ATOM 926 C GLU A 60 39.513 -10.775 5.784 1.00 0.00 C ATOM 927 O GLU A 60 38.864 -10.132 6.615 1.00 0.00 O ATOM 928 CB GLU A 60 38.609 -13.108 5.309 1.00 0.00 C ATOM 929 CG GLU A 60 37.862 -14.052 4.332 1.00 0.00 C ATOM 930 CD GLU A 60 37.903 -15.529 4.752 1.00 0.00 C ATOM 931 OE1 GLU A 60 38.861 -16.239 4.371 1.00 0.00 O ATOM 932 OE2 GLU A 60 36.992 -15.985 5.474 1.00 0.00 O ATOM 0 H GLU A 60 39.860 -12.685 3.256 1.00 0.00 H new ATOM 0 HA GLU A 60 37.822 -11.224 4.579 1.00 0.00 H new ATOM 0 HB2 GLU A 60 39.587 -13.533 5.536 1.00 0.00 H new ATOM 0 HB3 GLU A 60 38.057 -13.059 6.248 1.00 0.00 H new ATOM 0 HG2 GLU A 60 36.822 -13.733 4.256 1.00 0.00 H new ATOM 0 HG3 GLU A 60 38.300 -13.953 3.339 1.00 0.00 H new ATOM 939 N GLU A 61 40.851 -10.727 5.687 1.00 0.00 N ATOM 940 CA GLU A 61 41.699 -9.864 6.529 1.00 0.00 C ATOM 941 C GLU A 61 41.362 -8.384 6.263 1.00 0.00 C ATOM 942 O GLU A 61 41.047 -7.610 7.184 1.00 0.00 O ATOM 943 CB GLU A 61 43.206 -10.138 6.231 1.00 0.00 C ATOM 944 CG GLU A 61 43.585 -11.630 6.103 1.00 0.00 C ATOM 945 CD GLU A 61 43.211 -12.462 7.342 1.00 0.00 C ATOM 946 OE1 GLU A 61 43.947 -12.398 8.351 1.00 0.00 O ATOM 947 OE2 GLU A 61 42.170 -13.162 7.320 1.00 0.00 O ATOM 0 H GLU A 61 41.379 -11.288 5.019 1.00 0.00 H new ATOM 0 HA GLU A 61 41.506 -10.088 7.578 1.00 0.00 H new ATOM 0 HB2 GLU A 61 43.476 -9.629 5.306 1.00 0.00 H new ATOM 0 HB3 GLU A 61 43.805 -9.693 7.026 1.00 0.00 H new ATOM 0 HG2 GLU A 61 43.088 -12.050 5.228 1.00 0.00 H new ATOM 0 HG3 GLU A 61 44.658 -11.711 5.930 1.00 0.00 H new ATOM 954 N GLU A 62 41.382 -8.030 4.969 1.00 0.00 N ATOM 955 CA GLU A 62 41.123 -6.662 4.504 1.00 0.00 C ATOM 956 C GLU A 62 39.656 -6.254 4.707 1.00 0.00 C ATOM 957 O GLU A 62 39.376 -5.103 5.033 1.00 0.00 O ATOM 958 CB GLU A 62 41.542 -6.504 3.027 1.00 0.00 C ATOM 959 CG GLU A 62 43.063 -6.632 2.809 1.00 0.00 C ATOM 960 CD GLU A 62 43.503 -6.437 1.350 1.00 0.00 C ATOM 961 OE1 GLU A 62 43.384 -5.308 0.831 1.00 0.00 O ATOM 962 OE2 GLU A 62 43.995 -7.398 0.727 1.00 0.00 O ATOM 0 H GLU A 62 41.579 -8.688 4.215 1.00 0.00 H new ATOM 0 HA GLU A 62 41.728 -5.989 5.111 1.00 0.00 H new ATOM 0 HB2 GLU A 62 41.031 -7.258 2.429 1.00 0.00 H new ATOM 0 HB3 GLU A 62 41.210 -5.531 2.664 1.00 0.00 H new ATOM 0 HG2 GLU A 62 43.572 -5.897 3.433 1.00 0.00 H new ATOM 0 HG3 GLU A 62 43.387 -7.616 3.147 1.00 0.00 H new ATOM 969 N ALA A 63 38.736 -7.211 4.547 1.00 0.00 N ATOM 970 CA ALA A 63 37.290 -6.952 4.614 1.00 0.00 C ATOM 971 C ALA A 63 36.831 -6.623 6.050 1.00 0.00 C ATOM 972 O ALA A 63 35.899 -5.842 6.226 1.00 0.00 O ATOM 973 CB ALA A 63 36.515 -8.146 4.060 1.00 0.00 C ATOM 0 H ALA A 63 38.970 -8.187 4.367 1.00 0.00 H new ATOM 0 HA ALA A 63 37.080 -6.076 4.000 1.00 0.00 H new ATOM 0 HB1 ALA A 63 35.446 -7.943 4.115 1.00 0.00 H new ATOM 0 HB2 ALA A 63 36.800 -8.314 3.021 1.00 0.00 H new ATOM 0 HB3 ALA A 63 36.746 -9.034 4.648 1.00 0.00 H new ATOM 979 N ARG A 64 37.461 -7.260 7.069 1.00 0.00 N ATOM 980 CA ARG A 64 37.139 -6.991 8.497 1.00 0.00 C ATOM 981 C ARG A 64 37.760 -5.669 9.000 1.00 0.00 C ATOM 982 O ARG A 64 37.175 -5.003 9.856 1.00 0.00 O ATOM 983 CB ARG A 64 37.569 -8.164 9.420 1.00 0.00 C ATOM 984 CG ARG A 64 39.088 -8.425 9.481 1.00 0.00 C ATOM 985 CD ARG A 64 39.464 -9.538 10.471 1.00 0.00 C ATOM 986 NE ARG A 64 38.686 -10.764 10.223 1.00 0.00 N ATOM 987 CZ ARG A 64 39.112 -11.866 9.588 1.00 0.00 C ATOM 988 NH1 ARG A 64 40.352 -11.945 9.125 1.00 0.00 N ATOM 989 NH2 ARG A 64 38.275 -12.870 9.416 1.00 0.00 N ATOM 0 H ARG A 64 38.191 -7.959 6.932 1.00 0.00 H new ATOM 0 HA ARG A 64 36.054 -6.894 8.545 1.00 0.00 H new ATOM 0 HB2 ARG A 64 37.210 -7.962 10.429 1.00 0.00 H new ATOM 0 HB3 ARG A 64 37.073 -9.073 9.081 1.00 0.00 H new ATOM 0 HG2 ARG A 64 39.446 -8.694 8.487 1.00 0.00 H new ATOM 0 HG3 ARG A 64 39.599 -7.505 9.765 1.00 0.00 H new ATOM 0 HD2 ARG A 64 40.528 -9.758 10.387 1.00 0.00 H new ATOM 0 HD3 ARG A 64 39.289 -9.194 11.491 1.00 0.00 H new ATOM 0 HE ARG A 64 37.727 -10.776 10.569 1.00 0.00 H new ATOM 0 HH11 ARG A 64 40.994 -11.162 9.250 1.00 0.00 H new ATOM 0 HH12 ARG A 64 40.664 -12.789 8.644 1.00 0.00 H new ATOM 0 HH21 ARG A 64 37.319 -12.802 9.764 1.00 0.00 H new ATOM 0 HH22 ARG A 64 38.584 -13.715 8.935 1.00 0.00 H new ATOM 1003 N GLU A 65 38.968 -5.307 8.497 1.00 0.00 N ATOM 1004 CA GLU A 65 39.651 -4.054 8.917 1.00 0.00 C ATOM 1005 C GLU A 65 39.017 -2.821 8.235 1.00 0.00 C ATOM 1006 O GLU A 65 38.888 -1.756 8.856 1.00 0.00 O ATOM 1007 CB GLU A 65 41.182 -4.120 8.667 1.00 0.00 C ATOM 1008 CG GLU A 65 41.581 -4.394 7.212 1.00 0.00 C ATOM 1009 CD GLU A 65 43.099 -4.497 6.966 1.00 0.00 C ATOM 1010 OE1 GLU A 65 43.732 -5.464 7.458 1.00 0.00 O ATOM 1011 OE2 GLU A 65 43.669 -3.622 6.279 1.00 0.00 O ATOM 0 H GLU A 65 39.484 -5.856 7.809 1.00 0.00 H new ATOM 0 HA GLU A 65 39.509 -3.948 9.993 1.00 0.00 H new ATOM 0 HB2 GLU A 65 41.629 -3.177 8.981 1.00 0.00 H new ATOM 0 HB3 GLU A 65 41.607 -4.900 9.299 1.00 0.00 H new ATOM 0 HG2 GLU A 65 41.111 -5.323 6.890 1.00 0.00 H new ATOM 0 HG3 GLU A 65 41.179 -3.599 6.584 1.00 0.00 H new ATOM 1018 N LEU A 66 38.620 -2.953 6.954 1.00 0.00 N ATOM 1019 CA LEU A 66 37.869 -1.887 6.258 1.00 0.00 C ATOM 1020 C LEU A 66 36.364 -1.998 6.607 1.00 0.00 C ATOM 1021 O LEU A 66 35.594 -1.055 6.397 1.00 0.00 O ATOM 1022 CB LEU A 66 38.189 -1.874 4.719 1.00 0.00 C ATOM 1023 CG LEU A 66 37.464 -2.901 3.767 1.00 0.00 C ATOM 1024 CD1 LEU A 66 36.103 -2.370 3.273 1.00 0.00 C ATOM 1025 CD2 LEU A 66 38.362 -3.294 2.564 1.00 0.00 C ATOM 0 H LEU A 66 38.804 -3.779 6.384 1.00 0.00 H new ATOM 0 HA LEU A 66 38.193 -0.908 6.611 1.00 0.00 H new ATOM 0 HB2 LEU A 66 37.969 -0.873 4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 66 39.262 -2.026 4.607 1.00 0.00 H new ATOM 0 HG LEU A 66 37.276 -3.796 4.360 1.00 0.00 H new ATOM 0 HD11 LEU A 66 35.639 -3.110 2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 66 35.454 -2.182 4.128 1.00 0.00 H new ATOM 0 HD13 LEU A 66 36.253 -1.442 2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 66 37.830 -4.003 1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 66 38.607 -2.403 1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 66 39.280 -3.753 2.930 1.00 0.00 H new ATOM 1037 N GLY A 67 35.971 -3.162 7.164 1.00 0.00 N ATOM 1038 CA GLY A 67 34.621 -3.379 7.686 1.00 0.00 C ATOM 1039 C GLY A 67 34.395 -2.654 9.007 1.00 0.00 C ATOM 1040 O GLY A 67 33.347 -2.042 9.212 1.00 0.00 O ATOM 0 H GLY A 67 36.584 -3.971 7.261 1.00 0.00 H new ATOM 0 HA2 GLY A 67 33.890 -3.035 6.954 1.00 0.00 H new ATOM 0 HA3 GLY A 67 34.454 -4.447 7.826 1.00 0.00 H new ATOM 1044 N ARG A 68 35.399 -2.712 9.912 1.00 0.00 N ATOM 1045 CA ARG A 68 35.374 -1.944 11.180 1.00 0.00 C ATOM 1046 C ARG A 68 35.566 -0.451 10.886 1.00 0.00 C ATOM 1047 O ARG A 68 35.098 0.406 11.642 1.00 0.00 O ATOM 1048 CB ARG A 68 36.432 -2.454 12.200 1.00 0.00 C ATOM 1049 CG ARG A 68 37.901 -2.162 11.825 1.00 0.00 C ATOM 1050 CD ARG A 68 38.919 -2.811 12.781 1.00 0.00 C ATOM 1051 NE ARG A 68 38.749 -4.277 12.827 1.00 0.00 N ATOM 1052 CZ ARG A 68 39.727 -5.189 12.778 1.00 0.00 C ATOM 1053 NH1 ARG A 68 41.007 -4.826 12.700 1.00 0.00 N ATOM 1054 NH2 ARG A 68 39.413 -6.475 12.820 1.00 0.00 N ATOM 0 H ARG A 68 36.236 -3.282 9.789 1.00 0.00 H new ATOM 0 HA ARG A 68 34.399 -2.095 11.644 1.00 0.00 H new ATOM 0 HB2 ARG A 68 36.225 -2.003 13.170 1.00 0.00 H new ATOM 0 HB3 ARG A 68 36.311 -3.531 12.317 1.00 0.00 H new ATOM 0 HG2 ARG A 68 38.087 -2.519 10.812 1.00 0.00 H new ATOM 0 HG3 ARG A 68 38.058 -1.083 11.817 1.00 0.00 H new ATOM 0 HD2 ARG A 68 39.931 -2.570 12.457 1.00 0.00 H new ATOM 0 HD3 ARG A 68 38.797 -2.397 13.782 1.00 0.00 H new ATOM 0 HE ARG A 68 37.794 -4.628 12.903 1.00 0.00 H new ATOM 0 HH11 ARG A 68 41.256 -3.837 12.677 1.00 0.00 H new ATOM 0 HH12 ARG A 68 41.737 -5.537 12.664 1.00 0.00 H new ATOM 0 HH21 ARG A 68 38.436 -6.759 12.889 1.00 0.00 H new ATOM 0 HH22 ARG A 68 40.148 -7.181 12.783 1.00 0.00 H new ATOM 1068 N LYS A 69 36.257 -0.145 9.760 1.00 0.00 N ATOM 1069 CA LYS A 69 36.339 1.226 9.240 1.00 0.00 C ATOM 1070 C LYS A 69 34.935 1.713 8.835 1.00 0.00 C ATOM 1071 O LYS A 69 34.631 2.882 9.006 1.00 0.00 O ATOM 1072 CB LYS A 69 37.317 1.331 8.047 1.00 0.00 C ATOM 1073 CG LYS A 69 37.554 2.773 7.539 1.00 0.00 C ATOM 1074 CD LYS A 69 38.465 2.841 6.290 1.00 0.00 C ATOM 1075 CE LYS A 69 39.863 2.244 6.522 1.00 0.00 C ATOM 1076 NZ LYS A 69 40.617 2.957 7.584 1.00 0.00 N ATOM 0 H LYS A 69 36.762 -0.834 9.202 1.00 0.00 H new ATOM 0 HA LYS A 69 36.729 1.866 10.032 1.00 0.00 H new ATOM 0 HB2 LYS A 69 38.275 0.900 8.339 1.00 0.00 H new ATOM 0 HB3 LYS A 69 36.933 0.728 7.224 1.00 0.00 H new ATOM 0 HG2 LYS A 69 36.593 3.230 7.304 1.00 0.00 H new ATOM 0 HG3 LYS A 69 38.001 3.363 8.339 1.00 0.00 H new ATOM 0 HD2 LYS A 69 37.983 2.311 5.468 1.00 0.00 H new ATOM 0 HD3 LYS A 69 38.569 3.881 5.981 1.00 0.00 H new ATOM 0 HE2 LYS A 69 39.765 1.193 6.794 1.00 0.00 H new ATOM 0 HE3 LYS A 69 40.429 2.281 5.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 41.558 2.527 7.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 40.721 3.958 7.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 40.101 2.886 8.484 1.00 0.00 H new ATOM 1090 N TRP A 70 34.069 0.794 8.339 1.00 0.00 N ATOM 1091 CA TRP A 70 32.648 1.112 8.073 1.00 0.00 C ATOM 1092 C TRP A 70 31.910 1.446 9.384 1.00 0.00 C ATOM 1093 O TRP A 70 31.042 2.319 9.387 1.00 0.00 O ATOM 1094 CB TRP A 70 31.909 -0.015 7.301 1.00 0.00 C ATOM 1095 CG TRP A 70 30.412 0.227 7.168 1.00 0.00 C ATOM 1096 CD1 TRP A 70 29.786 1.078 6.302 1.00 0.00 C ATOM 1097 CD2 TRP A 70 29.368 -0.359 7.971 1.00 0.00 C ATOM 1098 NE1 TRP A 70 28.433 1.051 6.514 1.00 0.00 N ATOM 1099 CE2 TRP A 70 28.152 0.181 7.531 1.00 0.00 C ATOM 1100 CE3 TRP A 70 29.351 -1.283 9.022 1.00 0.00 C ATOM 1101 CZ2 TRP A 70 26.933 -0.172 8.098 1.00 0.00 C ATOM 1102 CZ3 TRP A 70 28.139 -1.638 9.585 1.00 0.00 C ATOM 1103 CH2 TRP A 70 26.942 -1.081 9.118 1.00 0.00 C ATOM 0 H TRP A 70 34.330 -0.167 8.117 1.00 0.00 H new ATOM 0 HA TRP A 70 32.642 1.989 7.426 1.00 0.00 H new ATOM 0 HB2 TRP A 70 32.344 -0.110 6.306 1.00 0.00 H new ATOM 0 HB3 TRP A 70 32.073 -0.964 7.812 1.00 0.00 H new ATOM 0 HD1 TRP A 70 30.285 1.683 5.559 1.00 0.00 H new ATOM 0 HE1 TRP A 70 27.743 1.594 5.995 1.00 0.00 H new ATOM 0 HE3 TRP A 70 30.272 -1.713 9.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 26.008 0.259 7.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 28.115 -2.353 10.394 1.00 0.00 H new ATOM 0 HH2 TRP A 70 26.008 -1.376 9.573 1.00 0.00 H new ATOM 1114 N LEU A 71 32.237 0.752 10.492 1.00 0.00 N ATOM 1115 CA LEU A 71 31.682 1.110 11.825 1.00 0.00 C ATOM 1116 C LEU A 71 32.109 2.548 12.230 1.00 0.00 C ATOM 1117 O LEU A 71 31.379 3.244 12.949 1.00 0.00 O ATOM 1118 CB LEU A 71 32.070 0.085 12.937 1.00 0.00 C ATOM 1119 CG LEU A 71 31.283 -1.274 12.977 1.00 0.00 C ATOM 1120 CD1 LEU A 71 29.764 -1.057 13.100 1.00 0.00 C ATOM 1121 CD2 LEU A 71 31.613 -2.172 11.781 1.00 0.00 C ATOM 0 H LEU A 71 32.871 -0.047 10.499 1.00 0.00 H new ATOM 0 HA LEU A 71 30.597 1.076 11.732 1.00 0.00 H new ATOM 0 HB2 LEU A 71 33.130 -0.143 12.829 1.00 0.00 H new ATOM 0 HB3 LEU A 71 31.946 0.574 13.903 1.00 0.00 H new ATOM 0 HG LEU A 71 31.617 -1.793 13.875 1.00 0.00 H new ATOM 0 HD11 LEU A 71 29.259 -2.023 13.124 1.00 0.00 H new ATOM 0 HD12 LEU A 71 29.548 -0.511 14.018 1.00 0.00 H new ATOM 0 HD13 LEU A 71 29.408 -0.483 12.245 1.00 0.00 H new ATOM 0 HD21 LEU A 71 31.044 -3.099 11.854 1.00 0.00 H new ATOM 0 HD22 LEU A 71 31.351 -1.658 10.856 1.00 0.00 H new ATOM 0 HD23 LEU A 71 32.679 -2.399 11.780 1.00 0.00 H new ATOM 1133 N GLU A 72 33.281 2.982 11.747 1.00 0.00 N ATOM 1134 CA GLU A 72 33.755 4.372 11.897 1.00 0.00 C ATOM 1135 C GLU A 72 33.028 5.310 10.897 1.00 0.00 C ATOM 1136 O GLU A 72 32.754 6.475 11.210 1.00 0.00 O ATOM 1137 CB GLU A 72 35.292 4.410 11.679 1.00 0.00 C ATOM 1138 CG GLU A 72 35.946 5.800 11.756 1.00 0.00 C ATOM 1139 CD GLU A 72 37.477 5.748 11.592 1.00 0.00 C ATOM 1140 OE1 GLU A 72 37.961 5.734 10.440 1.00 0.00 O ATOM 1141 OE2 GLU A 72 38.200 5.708 12.612 1.00 0.00 O ATOM 0 H GLU A 72 33.931 2.381 11.240 1.00 0.00 H new ATOM 0 HA GLU A 72 33.528 4.727 12.902 1.00 0.00 H new ATOM 0 HB2 GLU A 72 35.761 3.767 12.424 1.00 0.00 H new ATOM 0 HB3 GLU A 72 35.512 3.980 10.702 1.00 0.00 H new ATOM 0 HG2 GLU A 72 35.523 6.439 10.981 1.00 0.00 H new ATOM 0 HG3 GLU A 72 35.703 6.259 12.715 1.00 0.00 H new