USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 500 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 3 GLN : amide:sc= -2.93! C(o=-2.9!,f=-3!) USER MOD Set 1.2: B 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= -2.73! USER MOD Single : A 15 ASN : amide:sc= -0.68 K(o=-0.68,f=-3.2!) USER MOD Single : A 16 LYS NZ :NH3+ -103:sc= -2.07! (180deg=-4.84!) USER MOD Single : A 18 LYS NZ :NH3+ 171:sc= -0.368 (180deg=-0.5) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.848 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 37 THR OG1 : rot 82:sc= 1.25 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -5.29! K(o=-5.3!,f=-1.7) USER MOD Single : A 69 GLN : amide:sc= -1.08! K(o=-1.1!,f=-1.8) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : B 11 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 131 N ALA A 10 -6.629 7.544 -4.256 1.00 0.00 N ATOM 132 CA ALA A 10 -5.878 6.793 -3.262 1.00 0.00 C ATOM 133 C ALA A 10 -6.672 6.662 -1.969 1.00 0.00 C ATOM 134 O ALA A 10 -6.754 5.578 -1.385 1.00 0.00 O ATOM 135 CB ALA A 10 -4.542 7.471 -2.997 1.00 0.00 C ATOM 0 HA ALA A 10 -5.696 5.791 -3.651 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.987 6.902 -2.252 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.967 7.516 -3.922 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.714 8.482 -2.627 1.00 0.00 H new ATOM 141 N ILE A 11 -7.261 7.773 -1.527 1.00 0.00 N ATOM 142 CA ILE A 11 -8.051 7.779 -0.304 1.00 0.00 C ATOM 143 C ILE A 11 -9.140 6.717 -0.365 1.00 0.00 C ATOM 144 O ILE A 11 -9.379 6.000 0.605 1.00 0.00 O ATOM 145 CB ILE A 11 -8.712 9.148 -0.056 1.00 0.00 C ATOM 146 CG1 ILE A 11 -7.675 10.274 -0.096 1.00 0.00 C ATOM 147 CG2 ILE A 11 -9.435 9.138 1.277 1.00 0.00 C ATOM 148 CD1 ILE A 11 -6.579 10.143 0.941 1.00 0.00 C ATOM 0 H ILE A 11 -7.204 8.676 -1.998 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.365 7.566 0.516 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.435 9.332 -0.851 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.221 10.301 -1.087 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.184 11.227 0.047 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.900 10.109 1.446 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.203 8.364 1.269 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.722 8.933 2.076 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.886 10.979 0.846 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.019 10.148 1.938 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.042 9.207 0.786 1.00 0.00 H new ATOM 160 N SER A 12 -9.796 6.628 -1.517 1.00 0.00 N ATOM 161 CA SER A 12 -10.862 5.656 -1.721 1.00 0.00 C ATOM 162 C SER A 12 -10.352 4.237 -1.502 1.00 0.00 C ATOM 163 O SER A 12 -11.070 3.385 -0.978 1.00 0.00 O ATOM 164 CB SER A 12 -11.442 5.788 -3.131 1.00 0.00 C ATOM 165 OG SER A 12 -11.963 7.088 -3.348 1.00 0.00 O ATOM 0 H SER A 12 -9.607 7.220 -2.326 1.00 0.00 H new ATOM 0 HA SER A 12 -11.647 5.859 -0.993 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.667 5.576 -3.868 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.230 5.048 -3.274 1.00 0.00 H new ATOM 0 HG SER A 12 -12.326 7.148 -4.256 1.00 0.00 H new ATOM 171 N TYR A 13 -9.108 3.986 -1.905 1.00 0.00 N ATOM 172 CA TYR A 13 -8.513 2.665 -1.748 1.00 0.00 C ATOM 173 C TYR A 13 -8.386 2.304 -0.274 1.00 0.00 C ATOM 174 O TYR A 13 -8.852 1.252 0.162 1.00 0.00 O ATOM 175 CB TYR A 13 -7.132 2.616 -2.408 1.00 0.00 C ATOM 176 CG TYR A 13 -6.483 1.248 -2.357 1.00 0.00 C ATOM 177 CD1 TYR A 13 -7.206 0.100 -2.661 1.00 0.00 C ATOM 178 CD2 TYR A 13 -5.148 1.106 -1.999 1.00 0.00 C ATOM 179 CE1 TYR A 13 -6.618 -1.149 -2.608 1.00 0.00 C ATOM 180 CE2 TYR A 13 -4.553 -0.141 -1.946 1.00 0.00 C ATOM 181 CZ TYR A 13 -5.292 -1.264 -2.250 1.00 0.00 C ATOM 182 OH TYR A 13 -4.705 -2.506 -2.192 1.00 0.00 O ATOM 0 H TYR A 13 -8.497 4.677 -2.340 1.00 0.00 H new ATOM 0 HA TYR A 13 -9.167 1.942 -2.235 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -7.225 2.926 -3.449 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.478 3.337 -1.918 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -8.245 0.186 -2.943 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.566 1.983 -1.758 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -7.194 -2.031 -2.846 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.514 -0.235 -1.668 1.00 0.00 H new ATOM 0 HH TYR A 13 -3.767 -2.412 -1.925 1.00 0.00 H new ATOM 192 N VAL A 14 -7.747 3.186 0.484 1.00 0.00 N ATOM 193 CA VAL A 14 -7.545 2.971 1.912 1.00 0.00 C ATOM 194 C VAL A 14 -8.875 2.870 2.652 1.00 0.00 C ATOM 195 O VAL A 14 -9.048 2.020 3.526 1.00 0.00 O ATOM 196 CB VAL A 14 -6.711 4.109 2.525 1.00 0.00 C ATOM 197 CG1 VAL A 14 -6.379 3.812 3.979 1.00 0.00 C ATOM 198 CG2 VAL A 14 -5.446 4.331 1.709 1.00 0.00 C ATOM 0 H VAL A 14 -7.358 4.061 0.132 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.008 2.029 2.022 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.300 5.026 2.500 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.789 4.630 4.392 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.302 3.707 4.549 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.808 2.886 4.040 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.864 5.139 2.153 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.852 3.417 1.703 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.715 4.596 0.686 1.00 0.00 H new ATOM 208 N ASN A 15 -9.807 3.745 2.295 1.00 0.00 N ATOM 209 CA ASN A 15 -11.126 3.767 2.919 1.00 0.00 C ATOM 210 C ASN A 15 -11.825 2.432 2.749 1.00 0.00 C ATOM 211 O ASN A 15 -12.221 1.792 3.722 1.00 0.00 O ATOM 212 CB ASN A 15 -11.980 4.853 2.284 1.00 0.00 C ATOM 213 CG ASN A 15 -13.286 5.066 3.005 1.00 0.00 C ATOM 214 OD1 ASN A 15 -14.026 4.121 3.278 1.00 0.00 O ATOM 215 ND2 ASN A 15 -13.588 6.316 3.295 1.00 0.00 N ATOM 0 H ASN A 15 -9.673 4.453 1.573 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.994 3.968 3.982 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.420 5.788 2.272 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -12.182 4.589 1.246 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -14.467 6.532 3.765 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.943 7.067 3.049 1.00 0.00 H new ATOM 222 N LYS A 16 -11.979 2.033 1.497 1.00 0.00 N ATOM 223 CA LYS A 16 -12.642 0.775 1.167 1.00 0.00 C ATOM 224 C LYS A 16 -12.007 -0.379 1.931 1.00 0.00 C ATOM 225 O LYS A 16 -12.702 -1.268 2.418 1.00 0.00 O ATOM 226 CB LYS A 16 -12.565 0.506 -0.338 1.00 0.00 C ATOM 227 CG LYS A 16 -13.338 -0.729 -0.775 1.00 0.00 C ATOM 228 CD LYS A 16 -13.171 -1.007 -2.253 1.00 0.00 C ATOM 229 CE LYS A 16 -13.896 0.026 -3.091 1.00 0.00 C ATOM 230 NZ LYS A 16 -13.170 1.326 -3.137 1.00 0.00 N ATOM 0 H LYS A 16 -11.654 2.562 0.688 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.689 0.857 1.457 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.949 1.374 -0.874 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.520 0.391 -0.625 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.997 -1.592 -0.203 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -14.396 -0.594 -0.548 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.111 -1.007 -2.508 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.555 -2.001 -2.484 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -14.021 -0.354 -4.105 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -14.895 0.184 -2.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.635 2.006 -2.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.186 1.185 -2.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.181 1.696 -4.109 1.00 0.00 H new ATOM 244 N ILE A 17 -10.685 -0.354 2.042 1.00 0.00 N ATOM 245 CA ILE A 17 -9.965 -1.395 2.763 1.00 0.00 C ATOM 246 C ILE A 17 -10.387 -1.416 4.229 1.00 0.00 C ATOM 247 O ILE A 17 -10.571 -2.480 4.819 1.00 0.00 O ATOM 248 CB ILE A 17 -8.439 -1.191 2.661 1.00 0.00 C ATOM 249 CG1 ILE A 17 -7.983 -1.380 1.213 1.00 0.00 C ATOM 250 CG2 ILE A 17 -7.703 -2.149 3.588 1.00 0.00 C ATOM 251 CD1 ILE A 17 -6.509 -1.112 0.995 1.00 0.00 C ATOM 0 H ILE A 17 -10.091 0.373 1.643 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.215 -2.351 2.304 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.200 -0.174 2.973 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -8.207 -2.400 0.902 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.562 -0.717 0.570 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.629 -1.987 3.500 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.013 -1.970 4.617 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.939 -3.177 3.311 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.262 -1.267 -0.055 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.281 -0.083 1.273 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.921 -1.793 1.610 1.00 0.00 H new ATOM 263 N LYS A 18 -10.549 -0.231 4.807 1.00 0.00 N ATOM 264 CA LYS A 18 -10.960 -0.105 6.202 1.00 0.00 C ATOM 265 C LYS A 18 -12.370 -0.644 6.398 1.00 0.00 C ATOM 266 O LYS A 18 -12.611 -1.515 7.235 1.00 0.00 O ATOM 267 CB LYS A 18 -10.920 1.361 6.628 1.00 0.00 C ATOM 268 CG LYS A 18 -11.223 1.576 8.103 1.00 0.00 C ATOM 269 CD LYS A 18 -11.285 3.055 8.457 1.00 0.00 C ATOM 270 CE LYS A 18 -9.951 3.749 8.223 1.00 0.00 C ATOM 271 NZ LYS A 18 -10.018 5.201 8.549 1.00 0.00 N ATOM 0 H LYS A 18 -10.402 0.659 4.330 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.269 -0.685 6.814 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.934 1.768 6.405 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.639 1.923 6.032 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.173 1.102 8.352 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.457 1.090 8.706 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.057 3.540 7.859 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.574 3.167 9.502 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.183 3.275 8.833 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.654 3.624 7.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.061 5.607 8.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.618 5.686 7.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.422 5.325 9.499 1.00 0.00 H new ATOM 285 N THR A 19 -13.297 -0.104 5.618 1.00 0.00 N ATOM 286 CA THR A 19 -14.699 -0.503 5.687 1.00 0.00 C ATOM 287 C THR A 19 -14.869 -1.984 5.372 1.00 0.00 C ATOM 288 O THR A 19 -15.778 -2.639 5.882 1.00 0.00 O ATOM 289 CB THR A 19 -15.573 0.326 4.722 1.00 0.00 C ATOM 290 OG1 THR A 19 -16.959 0.036 4.944 1.00 0.00 O ATOM 291 CG2 THR A 19 -15.223 0.032 3.272 1.00 0.00 C ATOM 0 H THR A 19 -13.102 0.618 4.924 1.00 0.00 H new ATOM 0 HA THR A 19 -15.028 -0.315 6.709 1.00 0.00 H new ATOM 0 HB THR A 19 -15.380 1.381 4.918 1.00 0.00 H new ATOM 0 HG1 THR A 19 -17.507 0.567 4.329 1.00 0.00 H new ATOM 0 HG21 THR A 19 -15.855 0.631 2.616 1.00 0.00 H new ATOM 0 HG22 THR A 19 -14.177 0.280 3.093 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.386 -1.026 3.066 1.00 0.00 H new ATOM 299 N ARG A 20 -13.993 -2.506 4.525 1.00 0.00 N ATOM 300 CA ARG A 20 -14.049 -3.908 4.140 1.00 0.00 C ATOM 301 C ARG A 20 -13.754 -4.818 5.327 1.00 0.00 C ATOM 302 O ARG A 20 -14.551 -5.693 5.666 1.00 0.00 O ATOM 303 CB ARG A 20 -13.051 -4.187 3.012 1.00 0.00 C ATOM 304 CG ARG A 20 -12.931 -5.660 2.652 1.00 0.00 C ATOM 305 CD ARG A 20 -14.287 -6.260 2.323 1.00 0.00 C ATOM 306 NE ARG A 20 -14.198 -7.678 1.983 1.00 0.00 N ATOM 307 CZ ARG A 20 -13.802 -8.622 2.833 1.00 0.00 C ATOM 308 NH1 ARG A 20 -13.460 -8.305 4.075 1.00 0.00 N ATOM 309 NH2 ARG A 20 -13.753 -9.888 2.442 1.00 0.00 N ATOM 0 H ARG A 20 -13.235 -1.979 4.091 1.00 0.00 H new ATOM 0 HA ARG A 20 -15.059 -4.119 3.789 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.353 -3.629 2.126 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.070 -3.813 3.306 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.263 -5.775 1.798 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.482 -6.204 3.483 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.954 -6.134 3.176 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.730 -5.716 1.489 1.00 0.00 H new ATOM 0 HE ARG A 20 -14.455 -7.961 1.037 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.500 -7.333 4.383 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.157 -9.033 4.722 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -14.019 -10.138 1.490 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.449 -10.612 3.094 1.00 0.00 H new ATOM 323 N PHE A 21 -12.598 -4.613 5.943 1.00 0.00 N ATOM 324 CA PHE A 21 -12.183 -5.421 7.081 1.00 0.00 C ATOM 325 C PHE A 21 -12.579 -4.786 8.413 1.00 0.00 C ATOM 326 O PHE A 21 -11.810 -4.829 9.375 1.00 0.00 O ATOM 327 CB PHE A 21 -10.670 -5.636 7.054 1.00 0.00 C ATOM 328 CG PHE A 21 -10.158 -6.245 5.780 1.00 0.00 C ATOM 329 CD1 PHE A 21 -9.939 -5.462 4.659 1.00 0.00 C ATOM 330 CD2 PHE A 21 -9.889 -7.601 5.707 1.00 0.00 C ATOM 331 CE1 PHE A 21 -9.458 -6.019 3.491 1.00 0.00 C ATOM 332 CE2 PHE A 21 -9.410 -8.165 4.543 1.00 0.00 C ATOM 333 CZ PHE A 21 -9.192 -7.372 3.433 1.00 0.00 C ATOM 0 H PHE A 21 -11.929 -3.892 5.673 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.697 -6.378 6.997 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.175 -4.677 7.210 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.391 -6.279 7.889 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.147 -4.403 4.699 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -10.056 -8.225 6.572 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.290 -5.397 2.624 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -9.206 -9.225 4.499 1.00 0.00 H new ATOM 0 HZ PHE A 21 -8.814 -7.810 2.521 1.00 0.00 H new ATOM 343 N LEU A 22 -13.777 -4.210 8.480 1.00 0.00 N ATOM 344 CA LEU A 22 -14.246 -3.592 9.718 1.00 0.00 C ATOM 345 C LEU A 22 -14.196 -4.591 10.870 1.00 0.00 C ATOM 346 O LEU A 22 -13.911 -4.226 12.011 1.00 0.00 O ATOM 347 CB LEU A 22 -15.668 -3.053 9.554 1.00 0.00 C ATOM 348 CG LEU A 22 -15.787 -1.771 8.727 1.00 0.00 C ATOM 349 CD1 LEU A 22 -17.247 -1.377 8.558 1.00 0.00 C ATOM 350 CD2 LEU A 22 -15.003 -0.642 9.381 1.00 0.00 C ATOM 0 H LEU A 22 -14.434 -4.158 7.702 1.00 0.00 H new ATOM 0 HA LEU A 22 -13.583 -2.757 9.948 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -16.281 -3.825 9.088 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -16.086 -2.868 10.544 1.00 0.00 H new ATOM 0 HG LEU A 22 -15.365 -1.958 7.739 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -17.311 -0.463 7.967 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -17.783 -2.177 8.048 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -17.694 -1.208 9.538 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -15.098 0.263 8.780 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -15.397 -0.457 10.380 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.952 -0.922 9.451 1.00 0.00 H new ATOM 362 N ASP A 23 -14.470 -5.853 10.557 1.00 0.00 N ATOM 363 CA ASP A 23 -14.453 -6.914 11.556 1.00 0.00 C ATOM 364 C ASP A 23 -13.022 -7.293 11.916 1.00 0.00 C ATOM 365 O ASP A 23 -12.718 -7.565 13.077 1.00 0.00 O ATOM 366 CB ASP A 23 -15.207 -8.140 11.039 1.00 0.00 C ATOM 367 CG ASP A 23 -15.259 -9.266 12.054 1.00 0.00 C ATOM 368 OD1 ASP A 23 -14.185 -9.791 12.418 1.00 0.00 O ATOM 369 OD2 ASP A 23 -16.375 -9.623 12.487 1.00 0.00 O ATOM 0 H ASP A 23 -14.707 -6.166 9.616 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.949 -6.546 12.454 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.223 -7.850 10.771 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.728 -8.499 10.128 1.00 0.00 H new ATOM 374 N HIS A 24 -12.152 -7.321 10.907 1.00 0.00 N ATOM 375 CA HIS A 24 -10.757 -7.672 11.093 1.00 0.00 C ATOM 376 C HIS A 24 -9.857 -6.433 11.014 1.00 0.00 C ATOM 377 O HIS A 24 -9.219 -6.189 9.991 1.00 0.00 O ATOM 378 CB HIS A 24 -10.352 -8.679 10.023 1.00 0.00 C ATOM 379 CG HIS A 24 -11.137 -9.954 10.065 1.00 0.00 C ATOM 380 ND1 HIS A 24 -11.147 -10.799 11.155 1.00 0.00 N ATOM 381 CD2 HIS A 24 -11.948 -10.525 9.142 1.00 0.00 C ATOM 382 CE1 HIS A 24 -11.929 -11.834 10.901 1.00 0.00 C ATOM 383 NE2 HIS A 24 -12.426 -11.691 9.686 1.00 0.00 N ATOM 0 H HIS A 24 -12.400 -7.101 9.942 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.634 -8.109 12.084 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -10.473 -8.221 9.041 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.293 -8.911 10.138 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -12.176 -10.135 8.161 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -12.128 -12.656 11.573 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -13.062 -12.342 9.226 1.00 0.00 H new ATOM 392 N PRO A 25 -9.790 -5.630 12.094 1.00 0.00 N ATOM 393 CA PRO A 25 -8.958 -4.419 12.133 1.00 0.00 C ATOM 394 C PRO A 25 -7.478 -4.724 11.925 1.00 0.00 C ATOM 395 O PRO A 25 -6.751 -3.933 11.324 1.00 0.00 O ATOM 396 CB PRO A 25 -9.193 -3.860 13.537 1.00 0.00 C ATOM 397 CG PRO A 25 -9.707 -5.012 14.329 1.00 0.00 C ATOM 398 CD PRO A 25 -10.507 -5.833 13.362 1.00 0.00 C ATOM 0 HA PRO A 25 -9.222 -3.724 11.336 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.271 -3.467 13.965 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.911 -3.040 13.520 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.889 -5.593 14.755 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.324 -4.673 15.161 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.533 -6.884 13.648 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.541 -5.493 13.301 1.00 0.00 H new ATOM 406 N GLU A 26 -7.040 -5.872 12.433 1.00 0.00 N ATOM 407 CA GLU A 26 -5.645 -6.290 12.317 1.00 0.00 C ATOM 408 C GLU A 26 -5.152 -6.210 10.873 1.00 0.00 C ATOM 409 O GLU A 26 -3.969 -5.977 10.625 1.00 0.00 O ATOM 410 CB GLU A 26 -5.472 -7.716 12.846 1.00 0.00 C ATOM 411 CG GLU A 26 -6.313 -8.748 12.110 1.00 0.00 C ATOM 412 CD GLU A 26 -6.115 -10.154 12.647 1.00 0.00 C ATOM 413 OE1 GLU A 26 -5.319 -10.322 13.596 1.00 0.00 O ATOM 414 OE2 GLU A 26 -6.754 -11.087 12.117 1.00 0.00 O ATOM 0 H GLU A 26 -7.635 -6.534 12.932 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.046 -5.605 12.917 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.421 -7.997 12.771 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.733 -7.736 13.904 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.366 -8.477 12.191 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.059 -8.729 11.050 1.00 0.00 H new ATOM 421 N ILE A 27 -6.062 -6.410 9.925 1.00 0.00 N ATOM 422 CA ILE A 27 -5.715 -6.366 8.508 1.00 0.00 C ATOM 423 C ILE A 27 -5.243 -4.973 8.109 1.00 0.00 C ATOM 424 O ILE A 27 -4.238 -4.818 7.414 1.00 0.00 O ATOM 425 CB ILE A 27 -6.924 -6.730 7.627 1.00 0.00 C ATOM 426 CG1 ILE A 27 -7.650 -7.960 8.183 1.00 0.00 C ATOM 427 CG2 ILE A 27 -6.478 -6.965 6.189 1.00 0.00 C ATOM 428 CD1 ILE A 27 -6.911 -9.265 7.994 1.00 0.00 C ATOM 0 H ILE A 27 -7.046 -6.604 10.112 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.916 -7.091 8.355 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.625 -5.895 7.637 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.829 -7.810 9.248 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.626 -8.037 7.704 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.343 -7.222 5.577 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.014 -6.059 5.799 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.758 -7.783 6.160 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.498 -10.080 8.417 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.755 -9.444 6.930 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.946 -9.213 8.498 1.00 0.00 H new ATOM 440 N TYR A 28 -5.987 -3.967 8.553 1.00 0.00 N ATOM 441 CA TYR A 28 -5.675 -2.575 8.253 1.00 0.00 C ATOM 442 C TYR A 28 -4.247 -2.235 8.673 1.00 0.00 C ATOM 443 O TYR A 28 -3.483 -1.650 7.903 1.00 0.00 O ATOM 444 CB TYR A 28 -6.671 -1.668 8.970 1.00 0.00 C ATOM 445 CG TYR A 28 -6.606 -0.219 8.559 1.00 0.00 C ATOM 446 CD1 TYR A 28 -6.931 0.167 7.268 1.00 0.00 C ATOM 447 CD2 TYR A 28 -6.240 0.762 9.468 1.00 0.00 C ATOM 448 CE1 TYR A 28 -6.887 1.494 6.887 1.00 0.00 C ATOM 449 CE2 TYR A 28 -6.195 2.093 9.099 1.00 0.00 C ATOM 450 CZ TYR A 28 -6.518 2.454 7.807 1.00 0.00 C ATOM 451 OH TYR A 28 -6.473 3.778 7.434 1.00 0.00 O ATOM 0 H TYR A 28 -6.820 -4.092 9.128 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.753 -2.419 7.177 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.679 -2.040 8.786 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -6.497 -1.736 10.044 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -7.224 -0.583 6.548 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -5.986 0.482 10.480 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -7.140 1.778 5.876 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -5.909 2.846 9.818 1.00 0.00 H new ATOM 0 HH TYR A 28 -6.196 4.324 8.199 1.00 0.00 H new ATOM 461 N ARG A 29 -3.895 -2.616 9.896 1.00 0.00 N ATOM 462 CA ARG A 29 -2.560 -2.369 10.434 1.00 0.00 C ATOM 463 C ARG A 29 -1.476 -2.934 9.520 1.00 0.00 C ATOM 464 O ARG A 29 -0.527 -2.238 9.161 1.00 0.00 O ATOM 465 CB ARG A 29 -2.434 -3.020 11.812 1.00 0.00 C ATOM 466 CG ARG A 29 -3.232 -2.334 12.912 1.00 0.00 C ATOM 467 CD ARG A 29 -2.521 -1.097 13.440 1.00 0.00 C ATOM 468 NE ARG A 29 -2.533 0.007 12.485 1.00 0.00 N ATOM 469 CZ ARG A 29 -3.635 0.658 12.123 1.00 0.00 C ATOM 470 NH1 ARG A 29 -4.811 0.317 12.633 1.00 0.00 N ATOM 471 NH2 ARG A 29 -3.560 1.656 11.255 1.00 0.00 N ATOM 0 H ARG A 29 -4.521 -3.101 10.539 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.424 -1.290 10.508 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.758 -4.058 11.740 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.382 -3.033 12.098 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.213 -2.053 12.528 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.399 -3.034 13.730 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.997 -0.776 14.367 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.489 -1.351 13.683 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.646 0.296 12.072 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.873 -0.447 13.306 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.653 0.819 12.353 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.657 1.925 10.864 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.405 2.155 10.977 1.00 0.00 H new ATOM 485 N SER A 30 -1.618 -4.209 9.169 1.00 0.00 N ATOM 486 CA SER A 30 -0.646 -4.895 8.317 1.00 0.00 C ATOM 487 C SER A 30 -0.411 -4.151 7.003 1.00 0.00 C ATOM 488 O SER A 30 0.724 -3.799 6.682 1.00 0.00 O ATOM 489 CB SER A 30 -1.113 -6.323 8.028 1.00 0.00 C ATOM 490 OG SER A 30 -0.183 -7.006 7.205 1.00 0.00 O ATOM 0 H SER A 30 -2.401 -4.793 9.463 1.00 0.00 H new ATOM 0 HA SER A 30 0.300 -4.921 8.858 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.240 -6.864 8.965 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.087 -6.299 7.539 1.00 0.00 H new ATOM 0 HG SER A 30 -0.503 -7.917 7.036 1.00 0.00 H new ATOM 496 N PHE A 31 -1.483 -3.918 6.246 1.00 0.00 N ATOM 497 CA PHE A 31 -1.384 -3.218 4.965 1.00 0.00 C ATOM 498 C PHE A 31 -0.570 -1.935 5.100 1.00 0.00 C ATOM 499 O PHE A 31 0.365 -1.690 4.331 1.00 0.00 O ATOM 500 CB PHE A 31 -2.782 -2.883 4.439 1.00 0.00 C ATOM 501 CG PHE A 31 -2.772 -2.015 3.212 1.00 0.00 C ATOM 502 CD1 PHE A 31 -2.202 -2.461 2.030 1.00 0.00 C ATOM 503 CD2 PHE A 31 -3.327 -0.745 3.247 1.00 0.00 C ATOM 504 CE1 PHE A 31 -2.187 -1.658 0.905 1.00 0.00 C ATOM 505 CE2 PHE A 31 -3.316 0.062 2.125 1.00 0.00 C ATOM 506 CZ PHE A 31 -2.745 -0.395 0.953 1.00 0.00 C ATOM 0 H PHE A 31 -2.429 -4.203 6.497 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.877 -3.878 4.261 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.308 -3.811 4.213 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.346 -2.380 5.225 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.764 -3.447 1.987 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.773 -0.382 4.161 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.740 -2.017 -0.010 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.753 1.049 2.164 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.735 0.234 0.075 1.00 0.00 H new ATOM 516 N LEU A 32 -0.932 -1.122 6.083 1.00 0.00 N ATOM 517 CA LEU A 32 -0.243 0.135 6.326 1.00 0.00 C ATOM 518 C LEU A 32 1.223 -0.112 6.656 1.00 0.00 C ATOM 519 O LEU A 32 2.102 0.617 6.200 1.00 0.00 O ATOM 520 CB LEU A 32 -0.929 0.902 7.456 1.00 0.00 C ATOM 521 CG LEU A 32 -2.404 1.221 7.211 1.00 0.00 C ATOM 522 CD1 LEU A 32 -2.954 2.085 8.330 1.00 0.00 C ATOM 523 CD2 LEU A 32 -2.585 1.906 5.868 1.00 0.00 C ATOM 0 H LEU A 32 -1.701 -1.312 6.726 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.289 0.738 5.419 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.845 0.320 8.374 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.392 1.836 7.620 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.961 0.284 7.195 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.005 2.302 8.139 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.859 1.556 9.278 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.393 3.019 8.378 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.641 2.125 5.711 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.015 2.835 5.854 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.229 1.250 5.074 1.00 0.00 H new ATOM 535 N GLU A 33 1.478 -1.154 7.440 1.00 0.00 N ATOM 536 CA GLU A 33 2.840 -1.510 7.816 1.00 0.00 C ATOM 537 C GLU A 33 3.643 -1.891 6.580 1.00 0.00 C ATOM 538 O GLU A 33 4.847 -1.669 6.527 1.00 0.00 O ATOM 539 CB GLU A 33 2.836 -2.663 8.822 1.00 0.00 C ATOM 540 CG GLU A 33 4.226 -3.080 9.276 1.00 0.00 C ATOM 541 CD GLU A 33 4.196 -4.230 10.264 1.00 0.00 C ATOM 542 OE1 GLU A 33 3.684 -5.310 9.902 1.00 0.00 O ATOM 543 OE2 GLU A 33 4.685 -4.050 11.399 1.00 0.00 O ATOM 0 H GLU A 33 0.760 -1.766 7.827 1.00 0.00 H new ATOM 0 HA GLU A 33 3.307 -0.645 8.286 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.250 -2.371 9.694 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.336 -3.522 8.375 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.817 -3.368 8.407 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.726 -2.226 9.733 1.00 0.00 H new ATOM 550 N ILE A 34 2.966 -2.461 5.585 1.00 0.00 N ATOM 551 CA ILE A 34 3.622 -2.858 4.346 1.00 0.00 C ATOM 552 C ILE A 34 4.169 -1.635 3.619 1.00 0.00 C ATOM 553 O ILE A 34 5.380 -1.511 3.405 1.00 0.00 O ATOM 554 CB ILE A 34 2.650 -3.606 3.427 1.00 0.00 C ATOM 555 CG1 ILE A 34 2.178 -4.881 4.119 1.00 0.00 C ATOM 556 CG2 ILE A 34 3.310 -3.924 2.092 1.00 0.00 C ATOM 557 CD1 ILE A 34 1.141 -5.638 3.334 1.00 0.00 C ATOM 0 H ILE A 34 1.965 -2.657 5.615 1.00 0.00 H new ATOM 0 HA ILE A 34 4.446 -3.524 4.603 1.00 0.00 H new ATOM 0 HB ILE A 34 1.786 -2.972 3.226 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.036 -5.530 4.293 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.768 -4.625 5.096 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.603 -4.455 1.454 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.612 -2.997 1.605 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.188 -4.548 2.260 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.850 -6.533 3.884 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.266 -5.005 3.182 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.554 -5.925 2.367 1.00 0.00 H new ATOM 569 N LEU A 35 3.269 -0.719 3.265 1.00 0.00 N ATOM 570 CA LEU A 35 3.665 0.511 2.590 1.00 0.00 C ATOM 571 C LEU A 35 4.703 1.238 3.433 1.00 0.00 C ATOM 572 O LEU A 35 5.663 1.806 2.914 1.00 0.00 O ATOM 573 CB LEU A 35 2.448 1.411 2.356 1.00 0.00 C ATOM 574 CG LEU A 35 1.411 0.865 1.369 1.00 0.00 C ATOM 575 CD1 LEU A 35 0.166 1.739 1.371 1.00 0.00 C ATOM 576 CD2 LEU A 35 1.997 0.786 -0.034 1.00 0.00 C ATOM 0 H LEU A 35 2.267 -0.806 3.434 1.00 0.00 H new ATOM 0 HA LEU A 35 4.096 0.262 1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.957 1.587 3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.796 2.378 1.994 1.00 0.00 H new ATOM 0 HG LEU A 35 1.133 -0.140 1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.561 1.338 0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.268 1.752 2.371 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.434 2.754 1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.246 0.396 -0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.302 1.781 -0.357 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.863 0.124 -0.030 1.00 0.00 H new ATOM 588 N HIS A 36 4.499 1.195 4.744 1.00 0.00 N ATOM 589 CA HIS A 36 5.405 1.822 5.695 1.00 0.00 C ATOM 590 C HIS A 36 6.793 1.184 5.627 1.00 0.00 C ATOM 591 O HIS A 36 7.808 1.883 5.571 1.00 0.00 O ATOM 592 CB HIS A 36 4.828 1.707 7.109 1.00 0.00 C ATOM 593 CG HIS A 36 4.408 3.020 7.689 1.00 0.00 C ATOM 594 ND1 HIS A 36 5.261 4.096 7.816 1.00 0.00 N ATOM 595 CD2 HIS A 36 3.215 3.428 8.180 1.00 0.00 C ATOM 596 CE1 HIS A 36 4.611 5.109 8.360 1.00 0.00 C ATOM 597 NE2 HIS A 36 3.368 4.729 8.590 1.00 0.00 N ATOM 0 H HIS A 36 3.703 0.726 5.176 1.00 0.00 H new ATOM 0 HA HIS A 36 5.510 2.876 5.438 1.00 0.00 H new ATOM 0 HB2 HIS A 36 3.969 1.036 7.089 1.00 0.00 H new ATOM 0 HB3 HIS A 36 5.573 1.252 7.761 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.311 2.840 8.238 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.026 6.082 8.579 1.00 0.00 H new ATOM 0 HE2 HIS A 36 2.639 5.309 9.005 1.00 0.00 H new ATOM 606 N THR A 37 6.824 -0.149 5.618 1.00 0.00 N ATOM 607 CA THR A 37 8.077 -0.892 5.545 1.00 0.00 C ATOM 608 C THR A 37 8.922 -0.379 4.391 1.00 0.00 C ATOM 609 O THR A 37 10.138 -0.230 4.514 1.00 0.00 O ATOM 610 CB THR A 37 7.831 -2.405 5.369 1.00 0.00 C ATOM 611 OG1 THR A 37 7.079 -2.911 6.478 1.00 0.00 O ATOM 612 CG2 THR A 37 9.145 -3.165 5.261 1.00 0.00 C ATOM 0 H THR A 37 5.991 -0.736 5.661 1.00 0.00 H new ATOM 0 HA THR A 37 8.605 -0.739 6.486 1.00 0.00 H new ATOM 0 HB THR A 37 7.269 -2.549 4.446 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.126 -2.734 6.335 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.941 -4.229 5.138 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.706 -2.801 4.400 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.730 -3.010 6.167 1.00 0.00 H new ATOM 939 N GLU A 57 8.338 -5.893 -3.344 1.00 0.00 N ATOM 940 CA GLU A 57 8.011 -6.505 -2.059 1.00 0.00 C ATOM 941 C GLU A 57 6.625 -6.087 -1.584 1.00 0.00 C ATOM 942 O GLU A 57 5.819 -6.925 -1.184 1.00 0.00 O ATOM 943 CB GLU A 57 9.039 -6.124 -0.997 1.00 0.00 C ATOM 944 CG GLU A 57 8.763 -6.763 0.355 1.00 0.00 C ATOM 945 CD GLU A 57 9.036 -8.256 0.360 1.00 0.00 C ATOM 946 OE1 GLU A 57 10.193 -8.649 0.100 1.00 0.00 O ATOM 947 OE2 GLU A 57 8.093 -9.030 0.624 1.00 0.00 O ATOM 0 HA GLU A 57 8.025 -7.585 -2.205 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.031 -6.421 -1.337 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.052 -5.040 -0.884 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.381 -6.282 1.113 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.723 -6.586 0.631 1.00 0.00 H new ATOM 954 N VAL A 58 6.361 -4.784 -1.621 1.00 0.00 N ATOM 955 CA VAL A 58 5.077 -4.252 -1.183 1.00 0.00 C ATOM 956 C VAL A 58 3.930 -4.963 -1.889 1.00 0.00 C ATOM 957 O VAL A 58 2.925 -5.307 -1.269 1.00 0.00 O ATOM 958 CB VAL A 58 4.973 -2.737 -1.448 1.00 0.00 C ATOM 959 CG1 VAL A 58 3.655 -2.190 -0.925 1.00 0.00 C ATOM 960 CG2 VAL A 58 6.148 -2.003 -0.820 1.00 0.00 C ATOM 0 H VAL A 58 7.020 -4.078 -1.950 1.00 0.00 H new ATOM 0 HA VAL A 58 5.008 -4.425 -0.109 1.00 0.00 H new ATOM 0 HB VAL A 58 5.005 -2.574 -2.525 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.602 -1.119 -1.122 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.828 -2.693 -1.426 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.589 -2.365 0.149 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.057 -0.935 -1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.150 -2.174 0.256 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.079 -2.373 -1.248 1.00 0.00 H new ATOM 970 N PHE A 59 4.094 -5.191 -3.186 1.00 0.00 N ATOM 971 CA PHE A 59 3.078 -5.873 -3.975 1.00 0.00 C ATOM 972 C PHE A 59 2.823 -7.274 -3.428 1.00 0.00 C ATOM 973 O PHE A 59 1.685 -7.739 -3.394 1.00 0.00 O ATOM 974 CB PHE A 59 3.509 -5.953 -5.443 1.00 0.00 C ATOM 975 CG PHE A 59 2.521 -6.662 -6.330 1.00 0.00 C ATOM 976 CD1 PHE A 59 1.167 -6.375 -6.256 1.00 0.00 C ATOM 977 CD2 PHE A 59 2.950 -7.617 -7.239 1.00 0.00 C ATOM 978 CE1 PHE A 59 0.260 -7.026 -7.071 1.00 0.00 C ATOM 979 CE2 PHE A 59 2.047 -8.271 -8.056 1.00 0.00 C ATOM 980 CZ PHE A 59 0.700 -7.975 -7.972 1.00 0.00 C ATOM 0 H PHE A 59 4.922 -4.913 -3.713 1.00 0.00 H new ATOM 0 HA PHE A 59 2.153 -5.301 -3.909 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.663 -4.943 -5.822 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.469 -6.466 -5.502 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.816 -5.634 -5.553 1.00 0.00 H new ATOM 0 HD2 PHE A 59 4.002 -7.853 -7.310 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.792 -6.792 -7.003 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.394 -9.013 -8.760 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.007 -8.485 -8.610 1.00 0.00 H new ATOM 990 N THR A 60 3.893 -7.942 -3.004 1.00 0.00 N ATOM 991 CA THR A 60 3.789 -9.293 -2.464 1.00 0.00 C ATOM 992 C THR A 60 3.118 -9.301 -1.092 1.00 0.00 C ATOM 993 O THR A 60 2.183 -10.062 -0.860 1.00 0.00 O ATOM 994 CB THR A 60 5.175 -9.958 -2.352 1.00 0.00 C ATOM 995 OG1 THR A 60 5.809 -9.985 -3.636 1.00 0.00 O ATOM 996 CG2 THR A 60 5.057 -11.377 -1.816 1.00 0.00 C ATOM 0 H THR A 60 4.842 -7.569 -3.024 1.00 0.00 H new ATOM 0 HA THR A 60 3.173 -9.861 -3.161 1.00 0.00 H new ATOM 0 HB THR A 60 5.777 -9.372 -1.657 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.690 -10.407 -3.557 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.049 -11.823 -1.747 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.599 -11.356 -0.827 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.438 -11.970 -2.490 1.00 0.00 H new ATOM 1004 N GLU A 61 3.606 -8.455 -0.189 1.00 0.00 N ATOM 1005 CA GLU A 61 3.058 -8.368 1.162 1.00 0.00 C ATOM 1006 C GLU A 61 1.568 -8.045 1.134 1.00 0.00 C ATOM 1007 O GLU A 61 0.774 -8.696 1.814 1.00 0.00 O ATOM 1008 CB GLU A 61 3.815 -7.316 1.973 1.00 0.00 C ATOM 1009 CG GLU A 61 5.289 -7.644 2.161 1.00 0.00 C ATOM 1010 CD GLU A 61 6.005 -6.646 3.052 1.00 0.00 C ATOM 1011 OE1 GLU A 61 5.344 -5.708 3.546 1.00 0.00 O ATOM 1012 OE2 GLU A 61 7.227 -6.804 3.256 1.00 0.00 O ATOM 0 H GLU A 61 4.382 -7.818 -0.369 1.00 0.00 H new ATOM 0 HA GLU A 61 3.182 -9.340 1.640 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.726 -6.351 1.475 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.345 -7.215 2.951 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.383 -8.641 2.592 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.778 -7.670 1.187 1.00 0.00 H new ATOM 1019 N VAL A 62 1.188 -7.051 0.337 1.00 0.00 N ATOM 1020 CA VAL A 62 -0.213 -6.668 0.222 1.00 0.00 C ATOM 1021 C VAL A 62 -1.015 -7.810 -0.391 1.00 0.00 C ATOM 1022 O VAL A 62 -2.123 -8.115 0.053 1.00 0.00 O ATOM 1023 CB VAL A 62 -0.391 -5.398 -0.635 1.00 0.00 C ATOM 1024 CG1 VAL A 62 -1.864 -5.041 -0.773 1.00 0.00 C ATOM 1025 CG2 VAL A 62 0.387 -4.237 -0.033 1.00 0.00 C ATOM 0 H VAL A 62 1.827 -6.500 -0.235 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.579 -6.452 1.226 1.00 0.00 H new ATOM 0 HB VAL A 62 0.004 -5.600 -1.631 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.965 -4.142 -1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.395 -5.864 -1.251 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.289 -4.860 0.214 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.251 -3.349 -0.650 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.022 -4.038 0.975 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.446 -4.491 0.008 1.00 0.00 H new ATOM 1035 N ALA A 63 -0.435 -8.451 -1.404 1.00 0.00 N ATOM 1036 CA ALA A 63 -1.080 -9.577 -2.069 1.00 0.00 C ATOM 1037 C ALA A 63 -1.321 -10.706 -1.075 1.00 0.00 C ATOM 1038 O ALA A 63 -2.372 -11.347 -1.084 1.00 0.00 O ATOM 1039 CB ALA A 63 -0.229 -10.067 -3.232 1.00 0.00 C ATOM 0 H ALA A 63 0.481 -8.208 -1.781 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.041 -9.246 -2.462 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.725 -10.908 -3.717 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.097 -9.259 -3.952 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.745 -10.386 -2.861 1.00 0.00 H new ATOM 1045 N ASN A 64 -0.336 -10.928 -0.209 1.00 0.00 N ATOM 1046 CA ASN A 64 -0.421 -11.961 0.814 1.00 0.00 C ATOM 1047 C ASN A 64 -1.598 -11.693 1.746 1.00 0.00 C ATOM 1048 O ASN A 64 -2.325 -12.611 2.126 1.00 0.00 O ATOM 1049 CB ASN A 64 0.891 -12.031 1.603 1.00 0.00 C ATOM 1050 CG ASN A 64 2.011 -12.680 0.809 1.00 0.00 C ATOM 1051 OD1 ASN A 64 1.874 -13.810 0.339 1.00 0.00 O ATOM 1052 ND2 ASN A 64 3.132 -11.978 0.659 1.00 0.00 N ATOM 0 H ASN A 64 0.537 -10.400 -0.198 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.585 -12.923 0.329 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.191 -11.024 1.893 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.729 -12.593 2.523 1.00 0.00 H new ATOM 0 HD21 ASN A 64 3.916 -12.373 0.140 1.00 0.00 H new ATOM 0 HD22 ASN A 64 3.207 -11.045 1.063 1.00 0.00 H new ATOM 1059 N LEU A 65 -1.788 -10.425 2.093 1.00 0.00 N ATOM 1060 CA LEU A 65 -2.885 -10.019 2.961 1.00 0.00 C ATOM 1061 C LEU A 65 -4.226 -10.295 2.300 1.00 0.00 C ATOM 1062 O LEU A 65 -5.031 -11.087 2.791 1.00 0.00 O ATOM 1063 CB LEU A 65 -2.777 -8.526 3.251 1.00 0.00 C ATOM 1064 CG LEU A 65 -2.213 -8.153 4.616 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -2.010 -6.652 4.691 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -3.147 -8.620 5.722 1.00 0.00 C ATOM 0 H LEU A 65 -1.192 -9.657 1.784 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.821 -10.591 3.887 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.151 -8.071 2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.769 -8.084 3.156 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.251 -8.648 4.751 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.606 -6.388 5.668 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.312 -6.340 3.914 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.965 -6.148 4.545 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.729 -8.346 6.691 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.121 -8.147 5.600 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.261 -9.703 5.669 1.00 0.00 H new ATOM 1078 N PHE A 66 -4.454 -9.611 1.186 1.00 0.00 N ATOM 1079 CA PHE A 66 -5.694 -9.740 0.428 1.00 0.00 C ATOM 1080 C PHE A 66 -5.738 -11.045 -0.368 1.00 0.00 C ATOM 1081 O PHE A 66 -6.164 -11.057 -1.523 1.00 0.00 O ATOM 1082 CB PHE A 66 -5.833 -8.556 -0.533 1.00 0.00 C ATOM 1083 CG PHE A 66 -5.894 -7.201 0.130 1.00 0.00 C ATOM 1084 CD1 PHE A 66 -5.879 -7.065 1.514 1.00 0.00 C ATOM 1085 CD2 PHE A 66 -5.956 -6.055 -0.647 1.00 0.00 C ATOM 1086 CE1 PHE A 66 -5.928 -5.815 2.102 1.00 0.00 C ATOM 1087 CE2 PHE A 66 -6.006 -4.804 -0.063 1.00 0.00 C ATOM 1088 CZ PHE A 66 -5.993 -4.684 1.312 1.00 0.00 C ATOM 0 H PHE A 66 -3.787 -8.953 0.783 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.520 -9.749 1.139 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.991 -8.568 -1.225 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.736 -8.694 -1.128 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.828 -7.946 2.136 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.965 -6.141 -1.724 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.915 -5.723 3.178 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.055 -3.920 -0.682 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.034 -3.707 1.770 1.00 0.00 H new ATOM 1098 N ARG A 67 -5.303 -12.141 0.247 1.00 0.00 N ATOM 1099 CA ARG A 67 -5.308 -13.437 -0.424 1.00 0.00 C ATOM 1100 C ARG A 67 -6.722 -13.816 -0.851 1.00 0.00 C ATOM 1101 O ARG A 67 -7.662 -13.733 -0.059 1.00 0.00 O ATOM 1102 CB ARG A 67 -4.723 -14.514 0.494 1.00 0.00 C ATOM 1103 CG ARG A 67 -4.747 -15.913 -0.105 1.00 0.00 C ATOM 1104 CD ARG A 67 -3.915 -15.997 -1.376 1.00 0.00 C ATOM 1105 NE ARG A 67 -3.930 -17.339 -1.953 1.00 0.00 N ATOM 1106 CZ ARG A 67 -3.439 -18.414 -1.341 1.00 0.00 C ATOM 1107 NH1 ARG A 67 -2.876 -18.303 -0.145 1.00 0.00 N ATOM 1108 NH2 ARG A 67 -3.506 -19.601 -1.927 1.00 0.00 N ATOM 0 H ARG A 67 -4.945 -12.158 1.202 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.687 -13.364 -1.317 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.694 -14.251 0.737 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.280 -14.521 1.431 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.368 -16.628 0.625 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.776 -16.197 -0.325 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.297 -15.284 -2.107 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -2.887 -15.709 -1.156 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.341 -17.459 -2.879 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.818 -17.391 0.309 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.501 -19.129 0.321 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.934 -19.691 -2.848 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.129 -20.424 -1.457 1.00 0.00 H new ATOM 1122 N GLY A 68 -6.866 -14.222 -2.111 1.00 0.00 N ATOM 1123 CA GLY A 68 -8.170 -14.595 -2.630 1.00 0.00 C ATOM 1124 C GLY A 68 -9.017 -13.385 -2.974 1.00 0.00 C ATOM 1125 O GLY A 68 -9.687 -13.358 -4.007 1.00 0.00 O ATOM 0 H GLY A 68 -6.101 -14.299 -2.782 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.042 -15.212 -3.520 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.692 -15.204 -1.892 1.00 0.00 H new ATOM 1129 N GLN A 69 -8.980 -12.380 -2.105 1.00 0.00 N ATOM 1130 CA GLN A 69 -9.736 -11.151 -2.308 1.00 0.00 C ATOM 1131 C GLN A 69 -8.984 -10.208 -3.245 1.00 0.00 C ATOM 1132 O GLN A 69 -8.724 -9.053 -2.907 1.00 0.00 O ATOM 1133 CB GLN A 69 -9.992 -10.475 -0.960 1.00 0.00 C ATOM 1134 CG GLN A 69 -10.804 -11.337 -0.005 1.00 0.00 C ATOM 1135 CD GLN A 69 -10.823 -10.808 1.420 1.00 0.00 C ATOM 1136 OE1 GLN A 69 -11.465 -11.387 2.295 1.00 0.00 O ATOM 1137 NE2 GLN A 69 -10.116 -9.710 1.666 1.00 0.00 N ATOM 0 H GLN A 69 -8.429 -12.394 -1.247 1.00 0.00 H new ATOM 0 HA GLN A 69 -10.693 -11.396 -2.770 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -9.037 -10.230 -0.496 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.516 -9.534 -1.126 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -11.828 -11.407 -0.372 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -10.396 -12.348 -0.004 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -9.597 -9.259 0.913 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.093 -9.319 2.608 1.00 0.00 H new ATOM 1146 N GLU A 70 -8.623 -10.721 -4.420 1.00 0.00 N ATOM 1147 CA GLU A 70 -7.883 -9.942 -5.410 1.00 0.00 C ATOM 1148 C GLU A 70 -8.685 -8.743 -5.918 1.00 0.00 C ATOM 1149 O GLU A 70 -8.211 -7.999 -6.777 1.00 0.00 O ATOM 1150 CB GLU A 70 -7.484 -10.829 -6.591 1.00 0.00 C ATOM 1151 CG GLU A 70 -6.594 -11.996 -6.201 1.00 0.00 C ATOM 1152 CD GLU A 70 -6.200 -12.851 -7.390 1.00 0.00 C ATOM 1153 OE1 GLU A 70 -5.575 -12.312 -8.327 1.00 0.00 O ATOM 1154 OE2 GLU A 70 -6.517 -14.059 -7.384 1.00 0.00 O ATOM 0 H GLU A 70 -8.832 -11.676 -4.710 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.990 -9.560 -4.915 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.386 -11.214 -7.067 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.967 -10.221 -7.333 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.694 -11.616 -5.717 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.113 -12.615 -5.469 1.00 0.00 H new ATOM 1161 N ASP A 71 -9.891 -8.550 -5.388 1.00 0.00 N ATOM 1162 CA ASP A 71 -10.726 -7.429 -5.804 1.00 0.00 C ATOM 1163 C ASP A 71 -10.024 -6.114 -5.486 1.00 0.00 C ATOM 1164 O ASP A 71 -9.888 -5.241 -6.344 1.00 0.00 O ATOM 1165 CB ASP A 71 -12.081 -7.485 -5.105 1.00 0.00 C ATOM 1166 CG ASP A 71 -12.835 -8.767 -5.403 1.00 0.00 C ATOM 1167 OD1 ASP A 71 -13.121 -9.025 -6.591 1.00 0.00 O ATOM 1168 OD2 ASP A 71 -13.141 -9.512 -4.448 1.00 0.00 O ATOM 0 H ASP A 71 -10.308 -9.150 -4.676 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.890 -7.494 -6.880 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.935 -7.395 -4.029 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -12.683 -6.632 -5.418 1.00 0.00 H new ATOM 1173 N LEU A 72 -9.562 -5.999 -4.248 1.00 0.00 N ATOM 1174 CA LEU A 72 -8.844 -4.816 -3.793 1.00 0.00 C ATOM 1175 C LEU A 72 -7.453 -4.783 -4.414 1.00 0.00 C ATOM 1176 O LEU A 72 -6.901 -3.716 -4.699 1.00 0.00 O ATOM 1177 CB LEU A 72 -8.737 -4.835 -2.270 1.00 0.00 C ATOM 1178 CG LEU A 72 -10.075 -4.839 -1.534 1.00 0.00 C ATOM 1179 CD1 LEU A 72 -9.877 -5.207 -0.071 1.00 0.00 C ATOM 1180 CD2 LEU A 72 -10.747 -3.480 -1.660 1.00 0.00 C ATOM 0 H LEU A 72 -9.674 -6.719 -3.534 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.389 -3.924 -4.101 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.171 -5.717 -1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.164 -3.965 -1.949 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.722 -5.589 -1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.841 -5.205 0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.432 -6.200 -0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.216 -4.480 0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.700 -3.495 -1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.104 -2.714 -1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.919 -3.256 -2.713 1.00 0.00 H new ATOM 1192 N LEU A 73 -6.902 -5.974 -4.624 1.00 0.00 N ATOM 1193 CA LEU A 73 -5.592 -6.135 -5.209 1.00 0.00 C ATOM 1194 C LEU A 73 -5.522 -5.420 -6.546 1.00 0.00 C ATOM 1195 O LEU A 73 -4.511 -4.810 -6.889 1.00 0.00 O ATOM 1196 CB LEU A 73 -5.331 -7.621 -5.406 1.00 0.00 C ATOM 1197 CG LEU A 73 -3.992 -8.139 -4.880 1.00 0.00 C ATOM 1198 CD1 LEU A 73 -2.847 -7.235 -5.310 1.00 0.00 C ATOM 1199 CD2 LEU A 73 -4.047 -8.261 -3.371 1.00 0.00 C ATOM 0 H LEU A 73 -7.361 -6.854 -4.389 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.839 -5.705 -4.548 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.131 -8.178 -4.919 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.391 -7.843 -6.472 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.808 -9.125 -5.307 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.907 -7.628 -4.922 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.802 -7.197 -6.398 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.010 -6.231 -4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.091 -8.630 -3.001 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.252 -7.284 -2.934 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.838 -8.957 -3.091 1.00 0.00 H new ATOM 1211 N SER A 74 -6.615 -5.508 -7.292 1.00 0.00 N ATOM 1212 CA SER A 74 -6.711 -4.878 -8.598 1.00 0.00 C ATOM 1213 C SER A 74 -6.448 -3.382 -8.491 1.00 0.00 C ATOM 1214 O SER A 74 -5.766 -2.801 -9.334 1.00 0.00 O ATOM 1215 CB SER A 74 -8.095 -5.126 -9.193 1.00 0.00 C ATOM 1216 OG SER A 74 -8.193 -4.593 -10.503 1.00 0.00 O ATOM 0 H SER A 74 -7.454 -6.015 -7.010 1.00 0.00 H new ATOM 0 HA SER A 74 -5.957 -5.315 -9.252 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.297 -6.197 -9.217 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.854 -4.673 -8.556 1.00 0.00 H new ATOM 0 HG SER A 74 -9.089 -4.767 -10.861 1.00 0.00 H new ATOM 1222 N GLU A 75 -6.988 -2.764 -7.444 1.00 0.00 N ATOM 1223 CA GLU A 75 -6.804 -1.335 -7.227 1.00 0.00 C ATOM 1224 C GLU A 75 -5.334 -1.019 -6.976 1.00 0.00 C ATOM 1225 O GLU A 75 -4.764 -0.131 -7.610 1.00 0.00 O ATOM 1226 CB GLU A 75 -7.652 -0.863 -6.046 1.00 0.00 C ATOM 1227 CG GLU A 75 -9.139 -1.119 -6.225 1.00 0.00 C ATOM 1228 CD GLU A 75 -9.959 -0.651 -5.039 1.00 0.00 C ATOM 1229 OE1 GLU A 75 -9.917 0.558 -4.728 1.00 0.00 O ATOM 1230 OE2 GLU A 75 -10.644 -1.493 -4.421 1.00 0.00 O ATOM 0 H GLU A 75 -7.555 -3.230 -6.735 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.126 -0.806 -8.124 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.311 -1.366 -5.141 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.491 0.205 -5.897 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.486 -0.610 -7.125 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.304 -2.185 -6.378 1.00 0.00 H new ATOM 1237 N PHE A 76 -4.726 -1.758 -6.053 1.00 0.00 N ATOM 1238 CA PHE A 76 -3.317 -1.566 -5.721 1.00 0.00 C ATOM 1239 C PHE A 76 -2.444 -1.747 -6.959 1.00 0.00 C ATOM 1240 O PHE A 76 -1.504 -0.985 -7.191 1.00 0.00 O ATOM 1241 CB PHE A 76 -2.889 -2.554 -4.634 1.00 0.00 C ATOM 1242 CG PHE A 76 -1.482 -2.352 -4.137 1.00 0.00 C ATOM 1243 CD1 PHE A 76 -0.996 -1.080 -3.867 1.00 0.00 C ATOM 1244 CD2 PHE A 76 -0.649 -3.440 -3.929 1.00 0.00 C ATOM 1245 CE1 PHE A 76 0.293 -0.901 -3.401 1.00 0.00 C ATOM 1246 CE2 PHE A 76 0.640 -3.266 -3.465 1.00 0.00 C ATOM 1247 CZ PHE A 76 1.112 -1.994 -3.200 1.00 0.00 C ATOM 0 H PHE A 76 -5.187 -2.496 -5.521 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.189 -0.550 -5.348 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.576 -2.470 -3.792 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -2.983 -3.568 -5.023 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.632 -0.221 -4.023 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.013 -4.436 -4.132 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.659 0.094 -3.194 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.279 -4.123 -3.309 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.120 -1.856 -2.836 1.00 0.00 H new ATOM 1257 N GLY A 77 -2.768 -2.766 -7.747 1.00 0.00 N ATOM 1258 CA GLY A 77 -2.019 -3.052 -8.957 1.00 0.00 C ATOM 1259 C GLY A 77 -2.023 -1.894 -9.936 1.00 0.00 C ATOM 1260 O GLY A 77 -1.038 -1.665 -10.637 1.00 0.00 O ATOM 0 H GLY A 77 -3.543 -3.404 -7.567 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.990 -3.296 -8.693 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.441 -3.933 -9.441 1.00 0.00 H new ATOM 1423 N ILE B 2 2.910 5.146 -4.691 1.00 0.00 N ATOM 1424 CA ILE B 2 2.860 4.685 -3.308 1.00 0.00 C ATOM 1425 C ILE B 2 2.686 5.859 -2.351 1.00 0.00 C ATOM 1426 O ILE B 2 2.057 5.729 -1.303 1.00 0.00 O ATOM 1427 CB ILE B 2 4.134 3.899 -2.928 1.00 0.00 C ATOM 1428 CG1 ILE B 2 4.280 2.654 -3.809 1.00 0.00 C ATOM 1429 CG2 ILE B 2 4.110 3.511 -1.456 1.00 0.00 C ATOM 1430 CD1 ILE B 2 3.108 1.697 -3.716 1.00 0.00 C ATOM 0 HA ILE B 2 2.001 4.020 -3.222 1.00 0.00 H new ATOM 0 HB ILE B 2 4.996 4.545 -3.097 1.00 0.00 H new ATOM 0 HG12 ILE B 2 4.400 2.967 -4.846 1.00 0.00 H new ATOM 0 HG13 ILE B 2 5.191 2.126 -3.528 1.00 0.00 H new ATOM 0 HG21 ILE B 2 5.017 2.958 -1.211 1.00 0.00 H new ATOM 0 HG22 ILE B 2 4.057 4.411 -0.843 1.00 0.00 H new ATOM 0 HG23 ILE B 2 3.239 2.886 -1.259 1.00 0.00 H new ATOM 0 HD11 ILE B 2 3.285 0.841 -4.367 1.00 0.00 H new ATOM 0 HD12 ILE B 2 2.999 1.354 -2.687 1.00 0.00 H new ATOM 0 HD13 ILE B 2 2.196 2.207 -4.026 1.00 0.00 H new ATOM 1442 N GLN B 3 3.252 7.003 -2.719 1.00 0.00 N ATOM 1443 CA GLN B 3 3.167 8.205 -1.900 1.00 0.00 C ATOM 1444 C GLN B 3 1.714 8.558 -1.595 1.00 0.00 C ATOM 1445 O GLN B 3 1.387 8.957 -0.478 1.00 0.00 O ATOM 1446 CB GLN B 3 3.868 9.370 -2.611 1.00 0.00 C ATOM 1447 CG GLN B 3 3.763 10.706 -1.887 1.00 0.00 C ATOM 1448 CD GLN B 3 2.414 11.374 -2.076 1.00 0.00 C ATOM 1449 OE1 GLN B 3 2.008 11.670 -3.200 1.00 0.00 O ATOM 1450 NE2 GLN B 3 1.712 11.618 -0.976 1.00 0.00 N ATOM 0 H GLN B 3 3.778 7.123 -3.585 1.00 0.00 H new ATOM 0 HA GLN B 3 3.669 8.015 -0.951 1.00 0.00 H new ATOM 0 HB2 GLN B 3 4.922 9.121 -2.737 1.00 0.00 H new ATOM 0 HB3 GLN B 3 3.444 9.478 -3.609 1.00 0.00 H new ATOM 0 HG2 GLN B 3 3.941 10.552 -0.823 1.00 0.00 H new ATOM 0 HG3 GLN B 3 4.547 11.372 -2.248 1.00 0.00 H new ATOM 0 HE21 GLN B 3 2.086 11.356 -0.064 1.00 0.00 H new ATOM 0 HE22 GLN B 3 0.799 12.067 -1.043 1.00 0.00 H new ATOM 1459 N MET B 4 0.850 8.417 -2.593 1.00 0.00 N ATOM 1460 CA MET B 4 -0.565 8.732 -2.429 1.00 0.00 C ATOM 1461 C MET B 4 -1.250 7.780 -1.450 1.00 0.00 C ATOM 1462 O MET B 4 -1.990 8.218 -0.571 1.00 0.00 O ATOM 1463 CB MET B 4 -1.280 8.697 -3.779 1.00 0.00 C ATOM 1464 CG MET B 4 -0.862 9.818 -4.718 1.00 0.00 C ATOM 1465 SD MET B 4 0.856 9.687 -5.250 1.00 0.00 S ATOM 1466 CE MET B 4 0.998 11.143 -6.284 1.00 0.00 C ATOM 0 H MET B 4 1.104 8.087 -3.524 1.00 0.00 H new ATOM 0 HA MET B 4 -0.628 9.738 -2.015 1.00 0.00 H new ATOM 0 HB2 MET B 4 -1.083 7.739 -4.260 1.00 0.00 H new ATOM 0 HB3 MET B 4 -2.356 8.756 -3.613 1.00 0.00 H new ATOM 0 HG2 MET B 4 -1.510 9.811 -5.595 1.00 0.00 H new ATOM 0 HG3 MET B 4 -1.010 10.776 -4.220 1.00 0.00 H new ATOM 0 HE1 MET B 4 2.008 11.204 -6.690 1.00 0.00 H new ATOM 0 HE2 MET B 4 0.281 11.079 -7.103 1.00 0.00 H new ATOM 0 HE3 MET B 4 0.792 12.033 -5.690 1.00 0.00 H new ATOM 1476 N LEU B 5 -1.012 6.480 -1.607 1.00 0.00 N ATOM 1477 CA LEU B 5 -1.624 5.484 -0.729 1.00 0.00 C ATOM 1478 C LEU B 5 -1.083 5.596 0.693 1.00 0.00 C ATOM 1479 O LEU B 5 -1.847 5.635 1.658 1.00 0.00 O ATOM 1480 CB LEU B 5 -1.392 4.072 -1.274 1.00 0.00 C ATOM 1481 CG LEU B 5 -1.967 3.815 -2.670 1.00 0.00 C ATOM 1482 CD1 LEU B 5 -1.766 2.364 -3.074 1.00 0.00 C ATOM 1483 CD2 LEU B 5 -3.445 4.178 -2.719 1.00 0.00 C ATOM 0 H LEU B 5 -0.404 6.093 -2.329 1.00 0.00 H new ATOM 0 HA LEU B 5 -2.696 5.678 -0.701 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -0.319 3.880 -1.298 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -1.829 3.354 -0.580 1.00 0.00 H new ATOM 0 HG LEU B 5 -1.433 4.448 -3.378 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -2.181 2.202 -4.069 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -0.701 2.133 -3.084 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.271 1.714 -2.360 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -3.833 3.988 -3.720 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -3.992 3.573 -1.996 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -3.569 5.233 -2.476 1.00 0.00 H new ATOM 1495 N LEU B 6 0.239 5.654 0.810 1.00 0.00 N ATOM 1496 CA LEU B 6 0.897 5.770 2.108 1.00 0.00 C ATOM 1497 C LEU B 6 0.402 7.007 2.852 1.00 0.00 C ATOM 1498 O LEU B 6 0.095 6.948 4.042 1.00 0.00 O ATOM 1499 CB LEU B 6 2.416 5.838 1.913 1.00 0.00 C ATOM 1500 CG LEU B 6 3.245 6.000 3.190 1.00 0.00 C ATOM 1501 CD1 LEU B 6 3.066 4.802 4.111 1.00 0.00 C ATOM 1502 CD2 LEU B 6 4.714 6.187 2.841 1.00 0.00 C ATOM 0 H LEU B 6 0.880 5.622 0.017 1.00 0.00 H new ATOM 0 HA LEU B 6 0.653 4.892 2.706 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.739 4.929 1.405 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.641 6.672 1.248 1.00 0.00 H new ATOM 0 HG LEU B 6 2.892 6.886 3.717 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.665 4.942 5.011 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.015 4.708 4.386 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.389 3.897 3.597 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.294 6.301 3.757 1.00 0.00 H new ATOM 0 HD22 LEU B 6 5.071 5.316 2.292 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.831 7.078 2.224 1.00 0.00 H new ATOM 1514 N GLU B 7 0.320 8.123 2.134 1.00 0.00 N ATOM 1515 CA GLU B 7 -0.146 9.380 2.710 1.00 0.00 C ATOM 1516 C GLU B 7 -1.641 9.314 3.022 1.00 0.00 C ATOM 1517 O GLU B 7 -2.102 9.858 4.025 1.00 0.00 O ATOM 1518 CB GLU B 7 0.140 10.537 1.750 1.00 0.00 C ATOM 1519 CG GLU B 7 -0.323 11.891 2.267 1.00 0.00 C ATOM 1520 CD GLU B 7 0.357 12.284 3.564 1.00 0.00 C ATOM 1521 OE1 GLU B 7 1.601 12.396 3.572 1.00 0.00 O ATOM 1522 OE2 GLU B 7 -0.355 12.480 4.571 1.00 0.00 O ATOM 0 H GLU B 7 0.572 8.182 1.147 1.00 0.00 H new ATOM 0 HA GLU B 7 0.392 9.549 3.643 1.00 0.00 H new ATOM 0 HB2 GLU B 7 1.212 10.580 1.556 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -0.349 10.336 0.797 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -0.124 12.651 1.512 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -1.402 11.868 2.419 1.00 0.00 H new ATOM 1529 N ALA B 8 -2.389 8.646 2.147 1.00 0.00 N ATOM 1530 CA ALA B 8 -3.834 8.502 2.308 1.00 0.00 C ATOM 1531 C ALA B 8 -4.192 7.946 3.682 1.00 0.00 C ATOM 1532 O ALA B 8 -5.147 8.400 4.314 1.00 0.00 O ATOM 1533 CB ALA B 8 -4.393 7.601 1.217 1.00 0.00 C ATOM 0 H ALA B 8 -2.015 8.193 1.313 1.00 0.00 H new ATOM 0 HA ALA B 8 -4.280 9.493 2.223 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -5.471 7.500 1.345 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -4.183 8.039 0.241 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -3.926 6.618 1.282 1.00 0.00 H new ATOM 1539 N ALA B 9 -3.426 6.959 4.135 1.00 0.00 N ATOM 1540 CA ALA B 9 -3.667 6.337 5.433 1.00 0.00 C ATOM 1541 C ALA B 9 -3.699 7.377 6.548 1.00 0.00 C ATOM 1542 O ALA B 9 -4.579 7.351 7.407 1.00 0.00 O ATOM 1543 CB ALA B 9 -2.602 5.291 5.718 1.00 0.00 C ATOM 0 H ALA B 9 -2.633 6.572 3.623 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.643 5.852 5.399 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -2.792 4.834 6.689 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -2.629 4.524 4.944 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -1.620 5.764 5.726 1.00 0.00 H new ATOM 1549 N ASP B 10 -2.734 8.289 6.527 1.00 0.00 N ATOM 1550 CA ASP B 10 -2.649 9.340 7.535 1.00 0.00 C ATOM 1551 C ASP B 10 -3.880 10.241 7.481 1.00 0.00 C ATOM 1552 O ASP B 10 -4.399 10.663 8.515 1.00 0.00 O ATOM 1553 CB ASP B 10 -1.379 10.169 7.325 1.00 0.00 C ATOM 1554 CG ASP B 10 -1.166 11.204 8.414 1.00 0.00 C ATOM 1555 OD1 ASP B 10 -1.976 11.248 9.363 1.00 0.00 O ATOM 1556 OD2 ASP B 10 -0.183 11.969 8.319 1.00 0.00 O ATOM 0 H ASP B 10 -1.998 8.322 5.822 1.00 0.00 H new ATOM 0 HA ASP B 10 -2.609 8.872 8.518 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.517 9.503 7.290 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -1.434 10.671 6.359 1.00 0.00 H new ATOM 1561 N TYR B 11 -4.340 10.532 6.268 1.00 0.00 N ATOM 1562 CA TYR B 11 -5.509 11.384 6.071 1.00 0.00 C ATOM 1563 C TYR B 11 -6.734 10.824 6.789 1.00 0.00 C ATOM 1564 O TYR B 11 -7.365 11.515 7.590 1.00 0.00 O ATOM 1565 CB TYR B 11 -5.810 11.525 4.578 1.00 0.00 C ATOM 1566 CG TYR B 11 -7.072 12.303 4.283 1.00 0.00 C ATOM 1567 CD1 TYR B 11 -7.212 13.623 4.693 1.00 0.00 C ATOM 1568 CD2 TYR B 11 -8.122 11.716 3.590 1.00 0.00 C ATOM 1569 CE1 TYR B 11 -8.365 14.335 4.421 1.00 0.00 C ATOM 1570 CE2 TYR B 11 -9.277 12.420 3.314 1.00 0.00 C ATOM 1571 CZ TYR B 11 -9.394 13.730 3.731 1.00 0.00 C ATOM 1572 OH TYR B 11 -10.543 14.436 3.458 1.00 0.00 O ATOM 0 H TYR B 11 -3.920 10.189 5.404 1.00 0.00 H new ATOM 0 HA TYR B 11 -5.283 12.363 6.494 1.00 0.00 H new ATOM 0 HB2 TYR B 11 -4.968 12.018 4.092 1.00 0.00 H new ATOM 0 HB3 TYR B 11 -5.895 10.531 4.138 1.00 0.00 H new ATOM 0 HD1 TYR B 11 -6.407 14.100 5.233 1.00 0.00 H new ATOM 0 HD2 TYR B 11 -8.034 10.691 3.261 1.00 0.00 H new ATOM 0 HE1 TYR B 11 -8.459 15.360 4.747 1.00 0.00 H new ATOM 0 HE2 TYR B 11 -10.085 11.948 2.775 1.00 0.00 H new ATOM 0 HH TYR B 11 -11.168 13.865 2.964 1.00 0.00 H new ATOM 1582 N LEU B 12 -7.071 9.573 6.493 1.00 0.00 N ATOM 1583 CA LEU B 12 -8.226 8.926 7.105 1.00 0.00 C ATOM 1584 C LEU B 12 -8.042 8.785 8.613 1.00 0.00 C ATOM 1585 O LEU B 12 -8.955 9.070 9.388 1.00 0.00 O ATOM 1586 CB LEU B 12 -8.462 7.552 6.473 1.00 0.00 C ATOM 1587 CG LEU B 12 -8.798 7.571 4.978 1.00 0.00 C ATOM 1588 CD1 LEU B 12 -8.910 6.151 4.441 1.00 0.00 C ATOM 1589 CD2 LEU B 12 -10.091 8.336 4.729 1.00 0.00 C ATOM 0 H LEU B 12 -6.560 8.987 5.833 1.00 0.00 H new ATOM 0 HA LEU B 12 -9.098 9.555 6.926 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -7.570 6.944 6.621 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -9.275 7.060 7.006 1.00 0.00 H new ATOM 0 HG LEU B 12 -7.991 8.079 4.451 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -9.149 6.182 3.378 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -7.962 5.632 4.585 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -9.699 5.621 4.975 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -10.313 8.338 3.662 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -10.908 7.856 5.268 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -9.980 9.362 5.079 1.00 0.00 H new ATOM 1601 N GLU B 13 -6.857 8.343 9.023 1.00 0.00 N ATOM 1602 CA GLU B 13 -6.556 8.165 10.439 1.00 0.00 C ATOM 1603 C GLU B 13 -6.579 9.502 11.173 1.00 0.00 C ATOM 1604 O GLU B 13 -7.539 9.741 11.934 1.00 0.00 O ATOM 1605 CB GLU B 13 -5.191 7.496 10.613 1.00 0.00 C ATOM 1606 CG GLU B 13 -4.807 7.266 12.066 1.00 0.00 C ATOM 1607 CD GLU B 13 -3.460 6.586 12.217 1.00 0.00 C ATOM 1608 OE1 GLU B 13 -2.821 6.292 11.184 1.00 0.00 O ATOM 1609 OE2 GLU B 13 -3.043 6.346 13.370 1.00 0.00 O ATOM 1610 OXT GLU B 13 -5.636 10.298 10.981 1.00 0.00 O ATOM 0 H GLU B 13 -6.090 8.102 8.395 1.00 0.00 H new ATOM 0 HA GLU B 13 -7.324 7.522 10.869 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -5.196 6.539 10.091 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -4.429 8.114 10.138 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -4.786 8.223 12.587 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -5.572 6.657 12.547 1.00 0.00 H new