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 Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 28:sc= -2.77! USER MOD Single : A 15 ASN : amide:sc= -0.786 X(o=-0.79,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ 162:sc= -2.19! (180deg=-2.55!) USER MOD Single : A 18 LYS NZ :NH3+ 138:sc= 0.56 (180deg=0.0397) 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 77:sc= 0.519 USER MOD Single : A 36 HIS : no HD1:sc= -0.0192 X(o=-0.019,f=-0.16) USER MOD Single : A 37 THR OG1 : rot 76:sc= 1.3 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -5.19! K(o=-5.2!,f=-1.7) USER MOD Single : A 69 GLN : amide:sc= -1.08 K(o=-1.1,f=-2.1) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : B 3 GLN : amide:sc= -5.38! K(o=-5.4!,f=-0.89) USER MOD Single : B 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 11 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 131 N ALA A 10 -6.671 7.683 -4.133 1.00 0.00 N ATOM 132 CA ALA A 10 -5.966 6.829 -3.189 1.00 0.00 C ATOM 133 C ALA A 10 -6.802 6.621 -1.933 1.00 0.00 C ATOM 134 O ALA A 10 -6.866 5.513 -1.397 1.00 0.00 O ATOM 135 CB ALA A 10 -4.615 7.432 -2.835 1.00 0.00 C ATOM 0 HA ALA A 10 -5.800 5.859 -3.657 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.100 6.781 -2.128 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.014 7.534 -3.739 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.762 8.414 -2.384 1.00 0.00 H new ATOM 141 N ILE A 11 -7.449 7.691 -1.470 1.00 0.00 N ATOM 142 CA ILE A 11 -8.287 7.616 -0.279 1.00 0.00 C ATOM 143 C ILE A 11 -9.322 6.513 -0.431 1.00 0.00 C ATOM 144 O ILE A 11 -9.590 5.766 0.504 1.00 0.00 O ATOM 145 CB ILE A 11 -9.030 8.937 -0.005 1.00 0.00 C ATOM 146 CG1 ILE A 11 -8.055 10.116 0.055 1.00 0.00 C ATOM 147 CG2 ILE A 11 -9.820 8.828 1.290 1.00 0.00 C ATOM 148 CD1 ILE A 11 -7.005 9.998 1.138 1.00 0.00 C ATOM 0 H ILE A 11 -7.408 8.615 -1.901 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.620 7.408 0.558 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.722 9.121 -0.827 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.557 10.210 -0.910 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.622 11.034 0.212 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.343 9.766 1.477 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.545 8.019 1.207 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.139 8.621 2.115 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.356 10.873 1.112 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.492 9.936 2.111 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.410 9.100 0.972 1.00 0.00 H new ATOM 160 N SER A 12 -9.903 6.430 -1.620 1.00 0.00 N ATOM 161 CA SER A 12 -10.918 5.427 -1.912 1.00 0.00 C ATOM 162 C SER A 12 -10.388 4.019 -1.657 1.00 0.00 C ATOM 163 O SER A 12 -11.118 3.155 -1.173 1.00 0.00 O ATOM 164 CB SER A 12 -11.381 5.552 -3.364 1.00 0.00 C ATOM 165 OG SER A 12 -11.885 6.849 -3.630 1.00 0.00 O ATOM 0 H SER A 12 -9.687 7.049 -2.402 1.00 0.00 H new ATOM 0 HA SER A 12 -11.764 5.601 -1.248 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.548 5.338 -4.034 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.153 4.810 -3.568 1.00 0.00 H new ATOM 0 HG SER A 12 -12.173 6.903 -4.565 1.00 0.00 H new ATOM 171 N TYR A 13 -9.120 3.791 -1.992 1.00 0.00 N ATOM 172 CA TYR A 13 -8.514 2.480 -1.798 1.00 0.00 C ATOM 173 C TYR A 13 -8.353 2.168 -0.314 1.00 0.00 C ATOM 174 O TYR A 13 -8.837 1.146 0.168 1.00 0.00 O ATOM 175 CB TYR A 13 -7.153 2.415 -2.493 1.00 0.00 C ATOM 176 CG TYR A 13 -6.562 1.023 -2.531 1.00 0.00 C ATOM 177 CD1 TYR A 13 -7.325 -0.063 -2.944 1.00 0.00 C ATOM 178 CD2 TYR A 13 -5.245 0.795 -2.154 1.00 0.00 C ATOM 179 CE1 TYR A 13 -6.793 -1.336 -2.979 1.00 0.00 C ATOM 180 CE2 TYR A 13 -4.706 -0.478 -2.185 1.00 0.00 C ATOM 181 CZ TYR A 13 -5.484 -1.539 -2.599 1.00 0.00 C ATOM 182 OH TYR A 13 -4.954 -2.808 -2.628 1.00 0.00 O ATOM 0 H TYR A 13 -8.498 4.492 -2.396 1.00 0.00 H new ATOM 0 HA TYR A 13 -9.176 1.735 -2.239 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -7.256 2.785 -3.513 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.460 3.082 -1.980 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -8.351 0.092 -3.242 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.633 1.624 -1.832 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -7.400 -2.169 -3.303 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.681 -0.641 -1.887 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.413 -3.339 -3.313 1.00 0.00 H new ATOM 192 N VAL A 14 -7.676 3.057 0.404 1.00 0.00 N ATOM 193 CA VAL A 14 -7.452 2.879 1.836 1.00 0.00 C ATOM 194 C VAL A 14 -8.776 2.776 2.585 1.00 0.00 C ATOM 195 O VAL A 14 -8.947 1.929 3.461 1.00 0.00 O ATOM 196 CB VAL A 14 -6.645 4.050 2.428 1.00 0.00 C ATOM 197 CG1 VAL A 14 -6.334 3.799 3.895 1.00 0.00 C ATOM 198 CG2 VAL A 14 -5.367 4.280 1.636 1.00 0.00 C ATOM 0 H VAL A 14 -7.272 3.910 0.018 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.887 1.955 1.955 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.252 4.952 2.358 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.764 4.637 4.295 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.265 3.696 4.452 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.750 2.884 3.992 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.813 5.112 2.072 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.753 3.380 1.666 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.617 4.514 0.601 1.00 0.00 H new ATOM 208 N ASN A 15 -9.701 3.656 2.229 1.00 0.00 N ATOM 209 CA ASN A 15 -11.018 3.698 2.849 1.00 0.00 C ATOM 210 C ASN A 15 -11.750 2.386 2.648 1.00 0.00 C ATOM 211 O ASN A 15 -12.197 1.753 3.603 1.00 0.00 O ATOM 212 CB ASN A 15 -11.831 4.822 2.228 1.00 0.00 C ATOM 213 CG ASN A 15 -13.026 5.221 3.066 1.00 0.00 C ATOM 214 OD1 ASN A 15 -13.907 4.408 3.348 1.00 0.00 O ATOM 215 ND2 ASN A 15 -13.059 6.485 3.466 1.00 0.00 N ATOM 0 H ASN A 15 -9.560 4.360 1.504 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.893 3.869 3.918 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.189 5.691 2.084 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -12.174 4.512 1.241 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -13.838 6.820 4.033 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.305 7.122 3.207 1.00 0.00 H new ATOM 222 N LYS A 16 -11.875 1.994 1.388 1.00 0.00 N ATOM 223 CA LYS A 16 -12.561 0.758 1.034 1.00 0.00 C ATOM 224 C LYS A 16 -11.934 -0.435 1.747 1.00 0.00 C ATOM 225 O LYS A 16 -12.640 -1.318 2.229 1.00 0.00 O ATOM 226 CB LYS A 16 -12.534 0.542 -0.480 1.00 0.00 C ATOM 227 CG LYS A 16 -13.320 -0.677 -0.934 1.00 0.00 C ATOM 228 CD LYS A 16 -13.292 -0.832 -2.436 1.00 0.00 C ATOM 229 CE LYS A 16 -14.256 -1.912 -2.878 1.00 0.00 C ATOM 230 NZ LYS A 16 -13.847 -3.261 -2.395 1.00 0.00 N ATOM 0 H LYS A 16 -11.509 2.515 0.591 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.599 0.845 1.356 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.936 1.427 -0.972 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.499 0.439 -0.806 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.906 -1.571 -0.468 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -14.353 -0.591 -0.596 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.555 0.114 -2.910 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.283 -1.082 -2.762 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -15.254 -1.681 -2.505 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -14.316 -1.920 -3.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -14.659 -3.909 -2.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.076 -3.624 -2.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.521 -3.193 -1.410 1.00 0.00 H new ATOM 244 N ILE A 17 -10.607 -0.452 1.820 1.00 0.00 N ATOM 245 CA ILE A 17 -9.894 -1.536 2.489 1.00 0.00 C ATOM 246 C ILE A 17 -10.295 -1.617 3.958 1.00 0.00 C ATOM 247 O ILE A 17 -10.600 -2.692 4.471 1.00 0.00 O ATOM 248 CB ILE A 17 -8.366 -1.346 2.392 1.00 0.00 C ATOM 249 CG1 ILE A 17 -7.899 -1.521 0.945 1.00 0.00 C ATOM 250 CG2 ILE A 17 -7.642 -2.322 3.311 1.00 0.00 C ATOM 251 CD1 ILE A 17 -6.424 -1.242 0.747 1.00 0.00 C ATOM 0 H ILE A 17 -10.004 0.270 1.425 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.167 -2.463 1.985 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.124 -0.333 2.714 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -8.114 -2.540 0.623 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.476 -0.855 0.303 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.566 -2.171 3.227 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.953 -2.150 4.341 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.888 -3.344 3.023 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.164 -1.386 -0.302 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.206 -0.214 1.037 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.839 -1.925 1.363 1.00 0.00 H new ATOM 263 N LYS A 18 -10.293 -0.470 4.623 1.00 0.00 N ATOM 264 CA LYS A 18 -10.658 -0.396 6.032 1.00 0.00 C ATOM 265 C LYS A 18 -12.104 -0.820 6.237 1.00 0.00 C ATOM 266 O LYS A 18 -12.396 -1.735 7.008 1.00 0.00 O ATOM 267 CB LYS A 18 -10.461 1.033 6.534 1.00 0.00 C ATOM 268 CG LYS A 18 -10.780 1.220 8.008 1.00 0.00 C ATOM 269 CD LYS A 18 -10.517 2.650 8.449 1.00 0.00 C ATOM 270 CE LYS A 18 -11.359 3.644 7.665 1.00 0.00 C ATOM 271 NZ LYS A 18 -11.139 5.043 8.123 1.00 0.00 N ATOM 0 H LYS A 18 -10.041 0.427 4.207 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.018 -1.075 6.596 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.428 1.330 6.356 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.091 1.703 5.949 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.824 0.966 8.192 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.176 0.536 8.603 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.734 2.749 9.513 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.461 2.883 8.316 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.118 3.567 6.605 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.413 3.389 7.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.081 5.673 7.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.931 5.338 8.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.251 5.096 8.662 1.00 0.00 H new ATOM 285 N THR A 19 -13.004 -0.138 5.542 1.00 0.00 N ATOM 286 CA THR A 19 -14.431 -0.424 5.634 1.00 0.00 C ATOM 287 C THR A 19 -14.726 -1.877 5.276 1.00 0.00 C ATOM 288 O THR A 19 -15.684 -2.468 5.773 1.00 0.00 O ATOM 289 CB THR A 19 -15.255 0.507 4.718 1.00 0.00 C ATOM 290 OG1 THR A 19 -16.651 0.376 5.014 1.00 0.00 O ATOM 291 CG2 THR A 19 -15.021 0.180 3.251 1.00 0.00 C ATOM 0 H THR A 19 -12.770 0.622 4.904 1.00 0.00 H new ATOM 0 HA THR A 19 -14.723 -0.246 6.669 1.00 0.00 H new ATOM 0 HB THR A 19 -14.932 1.531 4.904 1.00 0.00 H new ATOM 0 HG1 THR A 19 -17.166 0.971 4.430 1.00 0.00 H new ATOM 0 HG21 THR A 19 -15.614 0.851 2.630 1.00 0.00 H new ATOM 0 HG22 THR A 19 -13.964 0.305 3.014 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.317 -0.851 3.056 1.00 0.00 H new ATOM 299 N ARG A 20 -13.899 -2.448 4.410 1.00 0.00 N ATOM 300 CA ARG A 20 -14.074 -3.833 3.993 1.00 0.00 C ATOM 301 C ARG A 20 -13.750 -4.787 5.137 1.00 0.00 C ATOM 302 O ARG A 20 -14.570 -5.626 5.513 1.00 0.00 O ATOM 303 CB ARG A 20 -13.183 -4.145 2.785 1.00 0.00 C ATOM 304 CG ARG A 20 -13.148 -5.618 2.410 1.00 0.00 C ATOM 305 CD ARG A 20 -14.546 -6.175 2.209 1.00 0.00 C ATOM 306 NE ARG A 20 -15.270 -5.468 1.153 1.00 0.00 N ATOM 307 CZ ARG A 20 -16.514 -5.764 0.785 1.00 0.00 C ATOM 308 NH1 ARG A 20 -17.166 -6.754 1.380 1.00 0.00 N ATOM 309 NH2 ARG A 20 -17.104 -5.070 -0.178 1.00 0.00 N ATOM 0 H ARG A 20 -13.102 -1.975 3.984 1.00 0.00 H new ATOM 0 HA ARG A 20 -15.117 -3.971 3.709 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.535 -3.570 1.928 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.168 -3.810 2.998 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.569 -5.748 1.496 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.640 -6.182 3.192 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.482 -7.234 1.958 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -15.103 -6.101 3.143 1.00 0.00 H new ATOM 0 HE ARG A 20 -14.794 -4.705 0.671 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -16.714 -7.290 2.121 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -18.120 -6.980 1.097 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -16.604 -4.309 -0.637 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -18.058 -5.297 -0.460 1.00 0.00 H new ATOM 323 N PHE A 21 -12.545 -4.656 5.678 1.00 0.00 N ATOM 324 CA PHE A 21 -12.097 -5.507 6.772 1.00 0.00 C ATOM 325 C PHE A 21 -12.417 -4.897 8.137 1.00 0.00 C ATOM 326 O PHE A 21 -11.619 -5.008 9.069 1.00 0.00 O ATOM 327 CB PHE A 21 -10.592 -5.755 6.674 1.00 0.00 C ATOM 328 CG PHE A 21 -10.154 -6.416 5.398 1.00 0.00 C ATOM 329 CD1 PHE A 21 -10.026 -5.686 4.228 1.00 0.00 C ATOM 330 CD2 PHE A 21 -9.857 -7.768 5.374 1.00 0.00 C ATOM 331 CE1 PHE A 21 -9.608 -6.292 3.058 1.00 0.00 C ATOM 332 CE2 PHE A 21 -9.440 -8.381 4.210 1.00 0.00 C ATOM 333 CZ PHE A 21 -9.313 -7.641 3.050 1.00 0.00 C ATOM 0 H PHE A 21 -11.858 -3.965 5.375 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.635 -6.451 6.683 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.072 -4.802 6.772 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.283 -6.375 7.515 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.256 -4.631 4.230 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -9.953 -8.351 6.278 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.512 -5.712 2.152 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -9.213 -9.437 4.206 1.00 0.00 H new ATOM 0 HZ PHE A 21 -8.983 -8.117 2.138 1.00 0.00 H new ATOM 343 N LEU A 22 -13.583 -4.265 8.261 1.00 0.00 N ATOM 344 CA LEU A 22 -13.983 -3.662 9.531 1.00 0.00 C ATOM 345 C LEU A 22 -13.887 -4.679 10.664 1.00 0.00 C ATOM 346 O LEU A 22 -13.556 -4.333 11.798 1.00 0.00 O ATOM 347 CB LEU A 22 -15.408 -3.114 9.445 1.00 0.00 C ATOM 348 CG LEU A 22 -15.568 -1.832 8.626 1.00 0.00 C ATOM 349 CD1 LEU A 22 -17.038 -1.458 8.504 1.00 0.00 C ATOM 350 CD2 LEU A 22 -14.783 -0.692 9.257 1.00 0.00 C ATOM 0 H LEU A 22 -14.261 -4.158 7.506 1.00 0.00 H new ATOM 0 HA LEU A 22 -13.302 -2.837 9.740 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -16.050 -3.883 9.015 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -15.769 -2.927 10.456 1.00 0.00 H new ATOM 0 HG LEU A 22 -15.171 -2.012 7.627 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -17.133 -0.544 7.918 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -17.579 -2.264 8.009 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -17.456 -1.298 9.498 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -14.909 0.211 8.660 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -15.150 -0.513 10.268 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.726 -0.956 9.296 1.00 0.00 H new ATOM 362 N ASP A 23 -14.179 -5.933 10.343 1.00 0.00 N ATOM 363 CA ASP A 23 -14.129 -7.010 11.322 1.00 0.00 C ATOM 364 C ASP A 23 -12.687 -7.403 11.625 1.00 0.00 C ATOM 365 O ASP A 23 -12.345 -7.697 12.769 1.00 0.00 O ATOM 366 CB ASP A 23 -14.909 -8.222 10.814 1.00 0.00 C ATOM 367 CG ASP A 23 -14.926 -9.370 11.808 1.00 0.00 C ATOM 368 OD1 ASP A 23 -13.841 -9.910 12.114 1.00 0.00 O ATOM 369 OD2 ASP A 23 -16.025 -9.729 12.280 1.00 0.00 O ATOM 0 H ASP A 23 -14.454 -6.230 9.407 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.588 -6.654 12.244 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.934 -7.923 10.594 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.469 -8.565 9.877 1.00 0.00 H new ATOM 374 N HIS A 24 -11.850 -7.417 10.588 1.00 0.00 N ATOM 375 CA HIS A 24 -10.454 -7.781 10.726 1.00 0.00 C ATOM 376 C HIS A 24 -9.547 -6.550 10.626 1.00 0.00 C ATOM 377 O HIS A 24 -8.936 -6.307 9.585 1.00 0.00 O ATOM 378 CB HIS A 24 -10.093 -8.788 9.644 1.00 0.00 C ATOM 379 CG HIS A 24 -10.878 -10.060 9.719 1.00 0.00 C ATOM 380 ND1 HIS A 24 -10.845 -10.903 10.810 1.00 0.00 N ATOM 381 CD2 HIS A 24 -11.726 -10.630 8.830 1.00 0.00 C ATOM 382 CE1 HIS A 24 -11.635 -11.938 10.588 1.00 0.00 C ATOM 383 NE2 HIS A 24 -12.182 -11.795 9.394 1.00 0.00 N ATOM 0 H HIS A 24 -12.126 -7.176 9.636 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.303 -8.224 11.710 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -10.252 -8.331 8.667 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.031 -9.022 9.718 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.993 -10.241 7.859 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -11.805 -12.761 11.267 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -12.838 -12.446 8.961 1.00 0.00 H new ATOM 392 N PRO A 25 -9.442 -5.752 11.706 1.00 0.00 N ATOM 393 CA PRO A 25 -8.599 -4.548 11.724 1.00 0.00 C ATOM 394 C PRO A 25 -7.129 -4.862 11.465 1.00 0.00 C ATOM 395 O PRO A 25 -6.419 -4.076 10.839 1.00 0.00 O ATOM 396 CB PRO A 25 -8.786 -3.992 13.137 1.00 0.00 C ATOM 397 CG PRO A 25 -9.290 -5.140 13.940 1.00 0.00 C ATOM 398 CD PRO A 25 -10.122 -5.955 12.994 1.00 0.00 C ATOM 0 HA PRO A 25 -8.883 -3.847 10.939 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.847 -3.612 13.539 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.495 -3.164 13.145 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.466 -5.728 14.345 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.883 -4.796 14.788 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.145 -7.007 13.278 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.156 -5.611 12.965 1.00 0.00 H new ATOM 406 N GLU A 26 -6.679 -6.017 11.953 1.00 0.00 N ATOM 407 CA GLU A 26 -5.292 -6.440 11.777 1.00 0.00 C ATOM 408 C GLU A 26 -4.874 -6.351 10.311 1.00 0.00 C ATOM 409 O GLU A 26 -3.710 -6.097 10.003 1.00 0.00 O ATOM 410 CB GLU A 26 -5.103 -7.870 12.290 1.00 0.00 C ATOM 411 CG GLU A 26 -5.987 -8.889 11.592 1.00 0.00 C ATOM 412 CD GLU A 26 -5.786 -10.295 12.121 1.00 0.00 C ATOM 413 OE1 GLU A 26 -6.018 -10.515 13.329 1.00 0.00 O ATOM 414 OE2 GLU A 26 -5.396 -11.178 11.328 1.00 0.00 O ATOM 0 H GLU A 26 -7.256 -6.677 12.474 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.658 -5.768 12.356 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.060 -8.158 12.161 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.311 -7.894 13.360 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.032 -8.604 11.716 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.778 -8.874 10.522 1.00 0.00 H new ATOM 421 N ILE A 27 -5.831 -6.560 9.412 1.00 0.00 N ATOM 422 CA ILE A 27 -5.562 -6.500 7.980 1.00 0.00 C ATOM 423 C ILE A 27 -5.146 -5.089 7.578 1.00 0.00 C ATOM 424 O ILE A 27 -4.158 -4.894 6.869 1.00 0.00 O ATOM 425 CB ILE A 27 -6.808 -6.885 7.162 1.00 0.00 C ATOM 426 CG1 ILE A 27 -7.481 -8.128 7.753 1.00 0.00 C ATOM 427 CG2 ILE A 27 -6.435 -7.112 5.702 1.00 0.00 C ATOM 428 CD1 ILE A 27 -6.719 -9.417 7.540 1.00 0.00 C ATOM 0 H ILE A 27 -6.800 -6.772 9.650 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.759 -7.206 7.772 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.521 -6.062 7.209 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.620 -7.976 8.823 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.474 -8.231 7.314 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.327 -7.383 5.137 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.008 -6.198 5.289 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.703 -7.917 5.634 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.269 -10.243 7.991 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.603 -9.599 6.472 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.736 -9.339 8.004 1.00 0.00 H new ATOM 440 N TYR A 28 -5.916 -4.112 8.046 1.00 0.00 N ATOM 441 CA TYR A 28 -5.655 -2.706 7.755 1.00 0.00 C ATOM 442 C TYR A 28 -4.265 -2.304 8.235 1.00 0.00 C ATOM 443 O TYR A 28 -3.514 -1.638 7.522 1.00 0.00 O ATOM 444 CB TYR A 28 -6.709 -1.841 8.439 1.00 0.00 C ATOM 445 CG TYR A 28 -6.655 -0.380 8.057 1.00 0.00 C ATOM 446 CD1 TYR A 28 -7.042 0.038 6.791 1.00 0.00 C ATOM 447 CD2 TYR A 28 -6.232 0.580 8.966 1.00 0.00 C ATOM 448 CE1 TYR A 28 -7.005 1.374 6.440 1.00 0.00 C ATOM 449 CE2 TYR A 28 -6.194 1.918 8.624 1.00 0.00 C ATOM 450 CZ TYR A 28 -6.581 2.309 7.360 1.00 0.00 C ATOM 451 OH TYR A 28 -6.544 3.641 7.013 1.00 0.00 O ATOM 0 H TYR A 28 -6.734 -4.271 8.634 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.702 -2.557 6.676 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.697 -2.232 8.196 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -6.589 -1.927 9.519 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -7.377 -0.692 6.069 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -5.928 0.276 9.957 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -7.307 1.684 5.450 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -5.863 2.653 9.343 1.00 0.00 H new ATOM 0 HH TYR A 28 -6.223 4.169 7.774 1.00 0.00 H new ATOM 461 N ARG A 29 -3.938 -2.711 9.457 1.00 0.00 N ATOM 462 CA ARG A 29 -2.649 -2.401 10.060 1.00 0.00 C ATOM 463 C ARG A 29 -1.495 -2.963 9.238 1.00 0.00 C ATOM 464 O ARG A 29 -0.598 -2.227 8.828 1.00 0.00 O ATOM 465 CB ARG A 29 -2.600 -2.975 11.472 1.00 0.00 C ATOM 466 CG ARG A 29 -3.638 -2.374 12.405 1.00 0.00 C ATOM 467 CD ARG A 29 -3.394 -0.890 12.636 1.00 0.00 C ATOM 468 NE ARG A 29 -4.440 -0.284 13.458 1.00 0.00 N ATOM 469 CZ ARG A 29 -5.718 -0.209 13.095 1.00 0.00 C ATOM 470 NH1 ARG A 29 -6.109 -0.675 11.915 1.00 0.00 N ATOM 471 NH2 ARG A 29 -6.608 0.341 13.911 1.00 0.00 N ATOM 0 H ARG A 29 -4.556 -3.262 10.053 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.541 -1.317 10.091 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.748 -4.054 11.423 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.607 -2.808 11.890 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.633 -2.518 11.984 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.617 -2.899 13.360 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.427 -0.753 13.120 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.345 -0.377 11.676 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.175 0.104 14.363 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.428 -1.093 11.281 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.090 -0.615 11.642 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.313 0.706 14.816 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.588 0.399 13.633 1.00 0.00 H new ATOM 485 N SER A 30 -1.523 -4.273 9.011 1.00 0.00 N ATOM 486 CA SER A 30 -0.477 -4.945 8.245 1.00 0.00 C ATOM 487 C SER A 30 -0.237 -4.241 6.914 1.00 0.00 C ATOM 488 O SER A 30 0.903 -3.940 6.561 1.00 0.00 O ATOM 489 CB SER A 30 -0.854 -6.409 8.002 1.00 0.00 C ATOM 490 OG SER A 30 -1.028 -7.099 9.227 1.00 0.00 O ATOM 0 H SER A 30 -2.261 -4.892 9.347 1.00 0.00 H new ATOM 0 HA SER A 30 0.445 -4.906 8.826 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.773 -6.459 7.419 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.076 -6.896 7.414 1.00 0.00 H new ATOM 0 HG SER A 30 -1.896 -6.861 9.616 1.00 0.00 H new ATOM 496 N PHE A 31 -1.319 -3.971 6.188 1.00 0.00 N ATOM 497 CA PHE A 31 -1.232 -3.291 4.900 1.00 0.00 C ATOM 498 C PHE A 31 -0.410 -2.012 5.020 1.00 0.00 C ATOM 499 O PHE A 31 0.516 -1.776 4.238 1.00 0.00 O ATOM 500 CB PHE A 31 -2.636 -2.955 4.393 1.00 0.00 C ATOM 501 CG PHE A 31 -2.646 -2.125 3.140 1.00 0.00 C ATOM 502 CD1 PHE A 31 -2.123 -2.622 1.956 1.00 0.00 C ATOM 503 CD2 PHE A 31 -3.185 -0.849 3.148 1.00 0.00 C ATOM 504 CE1 PHE A 31 -2.137 -1.860 0.802 1.00 0.00 C ATOM 505 CE2 PHE A 31 -3.201 -0.082 1.997 1.00 0.00 C ATOM 506 CZ PHE A 31 -2.676 -0.589 0.823 1.00 0.00 C ATOM 0 H PHE A 31 -2.268 -4.214 6.471 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.739 -3.957 4.192 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.177 -3.883 4.207 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.177 -2.422 5.175 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.700 -3.615 1.935 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.597 -0.449 4.063 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.727 -2.258 -0.114 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.623 0.912 2.016 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.687 0.008 -0.077 1.00 0.00 H new ATOM 516 N LEU A 32 -0.754 -1.190 6.005 1.00 0.00 N ATOM 517 CA LEU A 32 -0.051 0.065 6.233 1.00 0.00 C ATOM 518 C LEU A 32 1.421 -0.189 6.527 1.00 0.00 C ATOM 519 O LEU A 32 2.291 0.541 6.056 1.00 0.00 O ATOM 520 CB LEU A 32 -0.704 0.834 7.382 1.00 0.00 C ATOM 521 CG LEU A 32 -2.171 1.199 7.156 1.00 0.00 C ATOM 522 CD1 LEU A 32 -2.752 1.874 8.386 1.00 0.00 C ATOM 523 CD2 LEU A 32 -2.309 2.100 5.940 1.00 0.00 C ATOM 0 H LEU A 32 -1.516 -1.371 6.658 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.117 0.669 5.328 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.629 0.236 8.290 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.139 1.750 7.555 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.730 0.281 6.975 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.797 2.125 8.204 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.685 1.198 9.238 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.192 2.784 8.600 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.359 2.352 5.791 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.735 3.013 6.097 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.932 1.582 5.058 1.00 0.00 H new ATOM 535 N GLU A 33 1.694 -1.237 7.299 1.00 0.00 N ATOM 536 CA GLU A 33 3.065 -1.597 7.640 1.00 0.00 C ATOM 537 C GLU A 33 3.829 -2.005 6.388 1.00 0.00 C ATOM 538 O GLU A 33 5.030 -1.773 6.281 1.00 0.00 O ATOM 539 CB GLU A 33 3.080 -2.734 8.664 1.00 0.00 C ATOM 540 CG GLU A 33 4.479 -3.163 9.077 1.00 0.00 C ATOM 541 CD GLU A 33 4.468 -4.294 10.087 1.00 0.00 C ATOM 542 OE1 GLU A 33 3.896 -4.107 11.181 1.00 0.00 O ATOM 543 OE2 GLU A 33 5.032 -5.366 9.784 1.00 0.00 O ATOM 0 H GLU A 33 0.984 -1.851 7.699 1.00 0.00 H new ATOM 0 HA GLU A 33 3.553 -0.727 8.080 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.529 -2.421 9.550 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.553 -3.593 8.248 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.035 -3.476 8.193 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.007 -2.308 9.500 1.00 0.00 H new ATOM 550 N ILE A 34 3.117 -2.608 5.436 1.00 0.00 N ATOM 551 CA ILE A 34 3.724 -3.034 4.182 1.00 0.00 C ATOM 552 C ILE A 34 4.279 -1.831 3.434 1.00 0.00 C ATOM 553 O ILE A 34 5.473 -1.765 3.129 1.00 0.00 O ATOM 554 CB ILE A 34 2.703 -3.758 3.297 1.00 0.00 C ATOM 555 CG1 ILE A 34 2.209 -5.012 4.011 1.00 0.00 C ATOM 556 CG2 ILE A 34 3.316 -4.107 1.947 1.00 0.00 C ATOM 557 CD1 ILE A 34 1.117 -5.731 3.266 1.00 0.00 C ATOM 0 H ILE A 34 2.120 -2.811 5.512 1.00 0.00 H new ATOM 0 HA ILE A 34 4.535 -3.724 4.417 1.00 0.00 H new ATOM 0 HB ILE A 34 1.855 -3.098 3.116 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.048 -5.692 4.158 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.844 -4.738 5.001 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.576 -4.620 1.333 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.634 -3.193 1.444 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.178 -4.757 2.096 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.812 -6.613 3.829 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.262 -5.066 3.142 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.485 -6.035 2.286 1.00 0.00 H new ATOM 569 N LEU A 35 3.405 -0.866 3.168 1.00 0.00 N ATOM 570 CA LEU A 35 3.801 0.357 2.485 1.00 0.00 C ATOM 571 C LEU A 35 4.854 1.078 3.317 1.00 0.00 C ATOM 572 O LEU A 35 5.807 1.648 2.789 1.00 0.00 O ATOM 573 CB LEU A 35 2.584 1.263 2.275 1.00 0.00 C ATOM 574 CG LEU A 35 1.464 0.668 1.419 1.00 0.00 C ATOM 575 CD1 LEU A 35 0.210 1.522 1.518 1.00 0.00 C ATOM 576 CD2 LEU A 35 1.905 0.552 -0.032 1.00 0.00 C ATOM 0 H LEU A 35 2.417 -0.909 3.416 1.00 0.00 H new ATOM 0 HA LEU A 35 4.218 0.107 1.509 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.173 1.524 3.251 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.919 2.191 1.812 1.00 0.00 H new ATOM 0 HG LEU A 35 1.239 -0.330 1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.577 1.085 0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.121 1.564 2.556 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.428 2.530 1.166 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.096 0.127 -0.625 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.156 1.541 -0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.780 -0.095 -0.096 1.00 0.00 H new ATOM 588 N HIS A 36 4.662 1.029 4.633 1.00 0.00 N ATOM 589 CA HIS A 36 5.575 1.653 5.582 1.00 0.00 C ATOM 590 C HIS A 36 6.967 1.034 5.498 1.00 0.00 C ATOM 591 O HIS A 36 7.972 1.733 5.607 1.00 0.00 O ATOM 592 CB HIS A 36 5.019 1.521 7.002 1.00 0.00 C ATOM 593 CG HIS A 36 4.472 2.802 7.544 1.00 0.00 C ATOM 594 ND1 HIS A 36 5.218 3.959 7.631 1.00 0.00 N ATOM 595 CD2 HIS A 36 3.246 3.109 8.026 1.00 0.00 C ATOM 596 CE1 HIS A 36 4.474 4.922 8.144 1.00 0.00 C ATOM 597 NE2 HIS A 36 3.274 4.431 8.392 1.00 0.00 N ATOM 0 H HIS A 36 3.870 0.556 5.069 1.00 0.00 H new ATOM 0 HA HIS A 36 5.664 2.709 5.328 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.232 0.767 7.008 1.00 0.00 H new ATOM 0 HB3 HIS A 36 5.809 1.163 7.662 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.403 2.439 8.107 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.793 5.937 8.329 1.00 0.00 H new ATOM 0 HE2 HIS A 36 2.493 4.951 8.792 1.00 0.00 H new ATOM 606 N THR A 37 7.018 -0.280 5.305 1.00 0.00 N ATOM 607 CA THR A 37 8.287 -0.991 5.204 1.00 0.00 C ATOM 608 C THR A 37 9.063 -0.533 3.976 1.00 0.00 C ATOM 609 O THR A 37 10.265 -0.277 4.043 1.00 0.00 O ATOM 610 CB THR A 37 8.070 -2.516 5.123 1.00 0.00 C ATOM 611 OG1 THR A 37 7.430 -2.986 6.315 1.00 0.00 O ATOM 612 CG2 THR A 37 9.391 -3.249 4.928 1.00 0.00 C ATOM 0 H THR A 37 6.194 -0.874 5.215 1.00 0.00 H new ATOM 0 HA THR A 37 8.858 -0.763 6.104 1.00 0.00 H new ATOM 0 HB THR A 37 7.432 -2.720 4.263 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.480 -2.747 6.292 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.207 -4.322 4.874 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.860 -2.914 4.002 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.053 -3.036 5.767 1.00 0.00 H new ATOM 939 N GLU A 57 8.141 -6.657 -3.421 1.00 0.00 N ATOM 940 CA GLU A 57 7.816 -7.142 -2.082 1.00 0.00 C ATOM 941 C GLU A 57 6.450 -6.643 -1.630 1.00 0.00 C ATOM 942 O GLU A 57 5.609 -7.426 -1.194 1.00 0.00 O ATOM 943 CB GLU A 57 8.870 -6.692 -1.072 1.00 0.00 C ATOM 944 CG GLU A 57 8.610 -7.199 0.338 1.00 0.00 C ATOM 945 CD GLU A 57 8.940 -8.671 0.497 1.00 0.00 C ATOM 946 OE1 GLU A 57 8.322 -9.498 -0.207 1.00 0.00 O ATOM 947 OE2 GLU A 57 9.816 -8.997 1.326 1.00 0.00 O ATOM 0 HA GLU A 57 7.798 -8.231 -2.129 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.849 -7.040 -1.401 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.907 -5.603 -1.058 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.204 -6.619 1.044 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.563 -7.035 0.592 1.00 0.00 H new ATOM 954 N VAL A 58 6.245 -5.333 -1.725 1.00 0.00 N ATOM 955 CA VAL A 58 4.988 -4.720 -1.311 1.00 0.00 C ATOM 956 C VAL A 58 3.798 -5.395 -1.982 1.00 0.00 C ATOM 957 O VAL A 58 2.790 -5.680 -1.338 1.00 0.00 O ATOM 958 CB VAL A 58 4.965 -3.217 -1.639 1.00 0.00 C ATOM 959 CG1 VAL A 58 3.694 -2.572 -1.112 1.00 0.00 C ATOM 960 CG2 VAL A 58 6.194 -2.527 -1.070 1.00 0.00 C ATOM 0 H VAL A 58 6.935 -4.674 -2.086 1.00 0.00 H new ATOM 0 HA VAL A 58 4.912 -4.851 -0.232 1.00 0.00 H new ATOM 0 HB VAL A 58 4.980 -3.103 -2.723 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.698 -1.509 -1.354 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.827 -3.046 -1.573 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.644 -2.697 -0.030 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.160 -1.465 -1.312 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.213 -2.652 0.013 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.092 -2.969 -1.502 1.00 0.00 H new ATOM 970 N PHE A 59 3.926 -5.653 -3.277 1.00 0.00 N ATOM 971 CA PHE A 59 2.865 -6.302 -4.035 1.00 0.00 C ATOM 972 C PHE A 59 2.561 -7.681 -3.458 1.00 0.00 C ATOM 973 O PHE A 59 1.408 -8.112 -3.425 1.00 0.00 O ATOM 974 CB PHE A 59 3.262 -6.430 -5.509 1.00 0.00 C ATOM 975 CG PHE A 59 2.197 -7.052 -6.370 1.00 0.00 C ATOM 976 CD1 PHE A 59 0.916 -6.524 -6.402 1.00 0.00 C ATOM 977 CD2 PHE A 59 2.478 -8.167 -7.143 1.00 0.00 C ATOM 978 CE1 PHE A 59 -0.065 -7.096 -7.191 1.00 0.00 C ATOM 979 CE2 PHE A 59 1.501 -8.744 -7.933 1.00 0.00 C ATOM 980 CZ PHE A 59 0.228 -8.208 -7.957 1.00 0.00 C ATOM 0 H PHE A 59 4.755 -5.422 -3.825 1.00 0.00 H new ATOM 0 HA PHE A 59 1.969 -5.686 -3.963 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.500 -5.441 -5.899 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.170 -7.028 -5.581 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.681 -5.656 -5.804 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.472 -8.590 -7.128 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.059 -6.674 -7.208 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.733 -9.613 -8.531 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.537 -8.657 -8.573 1.00 0.00 H new ATOM 990 N THR A 60 3.608 -8.369 -3.011 1.00 0.00 N ATOM 991 CA THR A 60 3.461 -9.703 -2.444 1.00 0.00 C ATOM 992 C THR A 60 2.831 -9.662 -1.052 1.00 0.00 C ATOM 993 O THR A 60 1.900 -10.413 -0.767 1.00 0.00 O ATOM 994 CB THR A 60 4.819 -10.428 -2.365 1.00 0.00 C ATOM 995 OG1 THR A 60 5.394 -10.530 -3.672 1.00 0.00 O ATOM 996 CG2 THR A 60 4.659 -11.818 -1.766 1.00 0.00 C ATOM 0 H THR A 60 4.567 -8.023 -3.031 1.00 0.00 H new ATOM 0 HA THR A 60 2.797 -10.253 -3.111 1.00 0.00 H new ATOM 0 HB THR A 60 5.479 -9.847 -1.721 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.257 -10.990 -3.615 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.631 -12.309 -1.721 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.247 -11.736 -0.760 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.984 -12.406 -2.387 1.00 0.00 H new ATOM 1004 N GLU A 61 3.346 -8.788 -0.192 1.00 0.00 N ATOM 1005 CA GLU A 61 2.839 -8.654 1.169 1.00 0.00 C ATOM 1006 C GLU A 61 1.348 -8.340 1.160 1.00 0.00 C ATOM 1007 O GLU A 61 0.571 -8.959 1.889 1.00 0.00 O ATOM 1008 CB GLU A 61 3.606 -7.556 1.909 1.00 0.00 C ATOM 1009 CG GLU A 61 5.109 -7.789 1.962 1.00 0.00 C ATOM 1010 CD GLU A 61 5.486 -9.046 2.726 1.00 0.00 C ATOM 1011 OE1 GLU A 61 5.090 -10.149 2.293 1.00 0.00 O ATOM 1012 OE2 GLU A 61 6.179 -8.925 3.758 1.00 0.00 O ATOM 0 H GLU A 61 4.118 -8.160 -0.416 1.00 0.00 H new ATOM 0 HA GLU A 61 2.987 -9.601 1.688 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.412 -6.600 1.423 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.223 -7.480 2.927 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.497 -7.858 0.946 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.589 -6.929 2.429 1.00 0.00 H new ATOM 1019 N VAL A 62 0.951 -7.389 0.322 1.00 0.00 N ATOM 1020 CA VAL A 62 -0.452 -7.011 0.212 1.00 0.00 C ATOM 1021 C VAL A 62 -1.266 -8.179 -0.331 1.00 0.00 C ATOM 1022 O VAL A 62 -2.359 -8.466 0.156 1.00 0.00 O ATOM 1023 CB VAL A 62 -0.640 -5.788 -0.705 1.00 0.00 C ATOM 1024 CG1 VAL A 62 -2.113 -5.423 -0.818 1.00 0.00 C ATOM 1025 CG2 VAL A 62 0.168 -4.609 -0.187 1.00 0.00 C ATOM 0 H VAL A 62 1.579 -6.867 -0.289 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.801 -6.747 1.210 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.277 -6.044 -1.700 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.224 -4.557 -1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.665 -6.265 -1.236 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.506 -5.186 0.171 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.025 -3.752 -0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.165 -4.353 0.819 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.225 -4.875 -0.162 1.00 0.00 H new ATOM 1035 N ALA A 63 -0.716 -8.860 -1.336 1.00 0.00 N ATOM 1036 CA ALA A 63 -1.382 -10.010 -1.933 1.00 0.00 C ATOM 1037 C ALA A 63 -1.622 -11.080 -0.874 1.00 0.00 C ATOM 1038 O ALA A 63 -2.685 -11.700 -0.824 1.00 0.00 O ATOM 1039 CB ALA A 63 -0.552 -10.572 -3.077 1.00 0.00 C ATOM 0 H ALA A 63 0.188 -8.633 -1.751 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.344 -9.689 -2.334 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.065 -11.430 -3.511 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.418 -9.805 -3.840 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.422 -10.884 -2.701 1.00 0.00 H new ATOM 1045 N ASN A 64 -0.622 -11.270 -0.021 1.00 0.00 N ATOM 1046 CA ASN A 64 -0.697 -12.240 1.062 1.00 0.00 C ATOM 1047 C ASN A 64 -1.834 -11.889 2.017 1.00 0.00 C ATOM 1048 O ASN A 64 -2.559 -12.765 2.486 1.00 0.00 O ATOM 1049 CB ASN A 64 0.641 -12.289 1.812 1.00 0.00 C ATOM 1050 CG ASN A 64 1.733 -12.979 1.014 1.00 0.00 C ATOM 1051 OD1 ASN A 64 1.574 -14.123 0.590 1.00 0.00 O ATOM 1052 ND2 ASN A 64 2.859 -12.295 0.818 1.00 0.00 N ATOM 0 H ASN A 64 0.259 -10.758 -0.061 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.900 -13.224 0.640 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.957 -11.273 2.050 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.503 -12.811 2.759 1.00 0.00 H new ATOM 0 HD21 ASN A 64 3.629 -12.718 0.300 1.00 0.00 H new ATOM 0 HD22 ASN A 64 2.951 -11.348 1.186 1.00 0.00 H new ATOM 1059 N LEU A 65 -1.989 -10.597 2.287 1.00 0.00 N ATOM 1060 CA LEU A 65 -3.039 -10.111 3.171 1.00 0.00 C ATOM 1061 C LEU A 65 -4.417 -10.324 2.561 1.00 0.00 C ATOM 1062 O LEU A 65 -5.247 -11.056 3.099 1.00 0.00 O ATOM 1063 CB LEU A 65 -2.840 -8.621 3.423 1.00 0.00 C ATOM 1064 CG LEU A 65 -2.151 -8.256 4.732 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -1.862 -6.766 4.755 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -3.023 -8.649 5.914 1.00 0.00 C ATOM 0 H LEU A 65 -1.394 -9.863 1.902 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.979 -10.670 4.105 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.257 -8.207 2.600 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.815 -8.134 3.400 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.210 -8.801 4.807 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.369 -6.505 5.692 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.212 -6.509 3.919 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.797 -6.213 4.671 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.519 -8.383 6.843 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.976 -8.122 5.854 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.201 -9.724 5.893 1.00 0.00 H new ATOM 1078 N PHE A 66 -4.648 -9.649 1.442 1.00 0.00 N ATOM 1079 CA PHE A 66 -5.924 -9.719 0.735 1.00 0.00 C ATOM 1080 C PHE A 66 -6.084 -11.040 -0.018 1.00 0.00 C ATOM 1081 O PHE A 66 -6.543 -11.057 -1.161 1.00 0.00 O ATOM 1082 CB PHE A 66 -6.030 -8.554 -0.255 1.00 0.00 C ATOM 1083 CG PHE A 66 -5.892 -7.178 0.355 1.00 0.00 C ATOM 1084 CD1 PHE A 66 -5.728 -7.001 1.725 1.00 0.00 C ATOM 1085 CD2 PHE A 66 -5.916 -6.055 -0.458 1.00 0.00 C ATOM 1086 CE1 PHE A 66 -5.596 -5.734 2.264 1.00 0.00 C ATOM 1087 CE2 PHE A 66 -5.786 -4.788 0.078 1.00 0.00 C ATOM 1088 CZ PHE A 66 -5.626 -4.628 1.439 1.00 0.00 C ATOM 0 H PHE A 66 -3.960 -9.040 0.999 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.719 -9.656 1.478 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -5.261 -8.675 -1.018 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.993 -8.615 -0.761 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.703 -7.863 2.375 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.038 -6.172 -1.525 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.470 -5.610 3.329 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.810 -3.923 -0.568 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.524 -3.638 1.858 1.00 0.00 H new ATOM 1098 N ARG A 67 -5.706 -12.145 0.619 1.00 0.00 N ATOM 1099 CA ARG A 67 -5.817 -13.458 -0.007 1.00 0.00 C ATOM 1100 C ARG A 67 -7.274 -13.791 -0.317 1.00 0.00 C ATOM 1101 O ARG A 67 -8.166 -13.529 0.490 1.00 0.00 O ATOM 1102 CB ARG A 67 -5.211 -14.535 0.896 1.00 0.00 C ATOM 1103 CG ARG A 67 -5.272 -15.930 0.295 1.00 0.00 C ATOM 1104 CD ARG A 67 -4.875 -16.993 1.306 1.00 0.00 C ATOM 1105 NE ARG A 67 -5.806 -17.047 2.430 1.00 0.00 N ATOM 1106 CZ ARG A 67 -5.712 -17.922 3.426 1.00 0.00 C ATOM 1107 NH1 ARG A 67 -4.732 -18.816 3.439 1.00 0.00 N ATOM 1108 NH2 ARG A 67 -6.601 -17.904 4.408 1.00 0.00 N ATOM 0 H ARG A 67 -5.322 -12.157 1.564 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.262 -13.433 -0.945 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.171 -14.282 1.104 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.736 -14.536 1.851 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.282 -16.128 -0.064 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.610 -15.984 -0.569 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.840 -17.966 0.816 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.871 -16.786 1.676 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.573 -16.374 2.452 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.047 -18.833 2.683 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.663 -19.486 4.205 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.357 -17.219 4.399 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -6.530 -18.575 5.173 1.00 0.00 H new ATOM 1122 N GLY A 68 -7.505 -14.362 -1.498 1.00 0.00 N ATOM 1123 CA GLY A 68 -8.856 -14.714 -1.906 1.00 0.00 C ATOM 1124 C GLY A 68 -9.630 -13.511 -2.406 1.00 0.00 C ATOM 1125 O GLY A 68 -10.293 -13.573 -3.443 1.00 0.00 O ATOM 0 H GLY A 68 -6.780 -14.587 -2.180 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.812 -15.469 -2.691 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.384 -15.160 -1.064 1.00 0.00 H new ATOM 1129 N GLN A 69 -9.532 -12.409 -1.672 1.00 0.00 N ATOM 1130 CA GLN A 69 -10.210 -11.171 -2.039 1.00 0.00 C ATOM 1131 C GLN A 69 -9.264 -10.260 -2.813 1.00 0.00 C ATOM 1132 O GLN A 69 -9.084 -9.090 -2.471 1.00 0.00 O ATOM 1133 CB GLN A 69 -10.746 -10.470 -0.785 1.00 0.00 C ATOM 1134 CG GLN A 69 -9.727 -10.353 0.334 1.00 0.00 C ATOM 1135 CD GLN A 69 -10.375 -10.380 1.704 1.00 0.00 C ATOM 1136 OE1 GLN A 69 -11.265 -9.583 1.999 1.00 0.00 O ATOM 1137 NE2 GLN A 69 -9.928 -11.302 2.550 1.00 0.00 N ATOM 0 H GLN A 69 -8.985 -12.348 -0.813 1.00 0.00 H new ATOM 0 HA GLN A 69 -11.056 -11.408 -2.685 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.090 -9.472 -1.057 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.614 -11.017 -0.417 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -9.010 -11.170 0.257 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -9.167 -9.425 0.217 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -9.188 -11.942 2.262 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.325 -11.369 3.487 1.00 0.00 H new ATOM 1146 N GLU A 70 -8.652 -10.820 -3.855 1.00 0.00 N ATOM 1147 CA GLU A 70 -7.706 -10.086 -4.690 1.00 0.00 C ATOM 1148 C GLU A 70 -8.387 -8.971 -5.480 1.00 0.00 C ATOM 1149 O GLU A 70 -7.757 -8.335 -6.327 1.00 0.00 O ATOM 1150 CB GLU A 70 -7.009 -11.045 -5.656 1.00 0.00 C ATOM 1151 CG GLU A 70 -6.245 -12.161 -4.961 1.00 0.00 C ATOM 1152 CD GLU A 70 -5.582 -13.109 -5.940 1.00 0.00 C ATOM 1153 OE1 GLU A 70 -4.735 -12.648 -6.734 1.00 0.00 O ATOM 1154 OE2 GLU A 70 -5.912 -14.314 -5.915 1.00 0.00 O ATOM 0 H GLU A 70 -8.797 -11.788 -4.142 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.973 -9.627 -4.027 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.754 -11.484 -6.319 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.319 -10.479 -6.282 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.486 -11.727 -4.310 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.928 -12.722 -4.323 1.00 0.00 H new ATOM 1161 N ASP A 71 -9.664 -8.723 -5.201 1.00 0.00 N ATOM 1162 CA ASP A 71 -10.396 -7.670 -5.894 1.00 0.00 C ATOM 1163 C ASP A 71 -9.739 -6.326 -5.620 1.00 0.00 C ATOM 1164 O ASP A 71 -9.519 -5.527 -6.531 1.00 0.00 O ATOM 1165 CB ASP A 71 -11.854 -7.650 -5.445 1.00 0.00 C ATOM 1166 CG ASP A 71 -12.670 -6.588 -6.160 1.00 0.00 C ATOM 1167 OD1 ASP A 71 -12.352 -5.390 -6.009 1.00 0.00 O ATOM 1168 OD2 ASP A 71 -13.628 -6.956 -6.871 1.00 0.00 O ATOM 0 H ASP A 71 -10.209 -9.233 -4.505 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.372 -7.867 -6.966 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.300 -8.628 -5.626 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.897 -7.474 -4.370 1.00 0.00 H new ATOM 1173 N LEU A 72 -9.408 -6.102 -4.357 1.00 0.00 N ATOM 1174 CA LEU A 72 -8.747 -4.876 -3.936 1.00 0.00 C ATOM 1175 C LEU A 72 -7.327 -4.837 -4.476 1.00 0.00 C ATOM 1176 O LEU A 72 -6.812 -3.783 -4.852 1.00 0.00 O ATOM 1177 CB LEU A 72 -8.726 -4.802 -2.410 1.00 0.00 C ATOM 1178 CG LEU A 72 -10.105 -4.757 -1.755 1.00 0.00 C ATOM 1179 CD1 LEU A 72 -10.006 -5.084 -0.273 1.00 0.00 C ATOM 1180 CD2 LEU A 72 -10.733 -3.389 -1.962 1.00 0.00 C ATOM 0 H LEU A 72 -9.589 -6.761 -3.599 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.296 -4.021 -4.330 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.184 -5.666 -2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.167 -3.915 -2.110 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.740 -5.508 -2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.999 -5.047 0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.589 -6.083 -0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.359 -4.357 0.218 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.716 -3.365 -1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.098 -2.625 -1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.836 -3.194 -3.029 1.00 0.00 H new ATOM 1192 N LEU A 73 -6.706 -6.010 -4.516 1.00 0.00 N ATOM 1193 CA LEU A 73 -5.356 -6.162 -5.002 1.00 0.00 C ATOM 1194 C LEU A 73 -5.223 -5.594 -6.407 1.00 0.00 C ATOM 1195 O LEU A 73 -4.229 -4.949 -6.741 1.00 0.00 O ATOM 1196 CB LEU A 73 -5.015 -7.644 -5.000 1.00 0.00 C ATOM 1197 CG LEU A 73 -3.737 -8.032 -4.257 1.00 0.00 C ATOM 1198 CD1 LEU A 73 -2.556 -7.195 -4.717 1.00 0.00 C ATOM 1199 CD2 LEU A 73 -3.943 -7.886 -2.763 1.00 0.00 C ATOM 0 H LEU A 73 -7.135 -6.883 -4.208 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.668 -5.615 -4.357 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.849 -8.189 -4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.928 -7.979 -6.034 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.512 -9.074 -4.485 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.662 -7.495 -4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.396 -7.347 -5.784 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.761 -6.141 -4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.028 -8.164 -2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.194 -6.851 -2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.756 -8.537 -2.442 1.00 0.00 H new ATOM 1211 N SER A 74 -6.242 -5.839 -7.224 1.00 0.00 N ATOM 1212 CA SER A 74 -6.261 -5.355 -8.596 1.00 0.00 C ATOM 1213 C SER A 74 -6.082 -3.843 -8.630 1.00 0.00 C ATOM 1214 O SER A 74 -5.362 -3.310 -9.476 1.00 0.00 O ATOM 1215 CB SER A 74 -7.574 -5.741 -9.270 1.00 0.00 C ATOM 1216 OG SER A 74 -7.599 -5.321 -10.622 1.00 0.00 O ATOM 0 H SER A 74 -7.069 -6.373 -6.956 1.00 0.00 H new ATOM 0 HA SER A 74 -5.435 -5.816 -9.138 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.708 -6.822 -9.220 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.408 -5.291 -8.731 1.00 0.00 H new ATOM 0 HG SER A 74 -8.451 -5.582 -11.030 1.00 0.00 H new ATOM 1222 N GLU A 75 -6.733 -3.158 -7.695 1.00 0.00 N ATOM 1223 CA GLU A 75 -6.638 -1.708 -7.607 1.00 0.00 C ATOM 1224 C GLU A 75 -5.225 -1.300 -7.211 1.00 0.00 C ATOM 1225 O GLU A 75 -4.687 -0.310 -7.707 1.00 0.00 O ATOM 1226 CB GLU A 75 -7.647 -1.170 -6.591 1.00 0.00 C ATOM 1227 CG GLU A 75 -9.088 -1.515 -6.924 1.00 0.00 C ATOM 1228 CD GLU A 75 -10.069 -0.965 -5.906 1.00 0.00 C ATOM 1229 OE1 GLU A 75 -9.953 -1.326 -4.716 1.00 0.00 O ATOM 1230 OE2 GLU A 75 -10.952 -0.175 -6.299 1.00 0.00 O ATOM 0 H GLU A 75 -7.332 -3.585 -6.988 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.867 -1.282 -8.584 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.405 -1.568 -5.606 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.546 -0.086 -6.530 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.334 -1.121 -7.910 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.195 -2.598 -6.978 1.00 0.00 H new ATOM 1237 N PHE A 76 -4.631 -2.080 -6.313 1.00 0.00 N ATOM 1238 CA PHE A 76 -3.276 -1.822 -5.840 1.00 0.00 C ATOM 1239 C PHE A 76 -2.292 -1.796 -7.005 1.00 0.00 C ATOM 1240 O PHE A 76 -1.446 -0.906 -7.098 1.00 0.00 O ATOM 1241 CB PHE A 76 -2.861 -2.894 -4.830 1.00 0.00 C ATOM 1242 CG PHE A 76 -1.500 -2.677 -4.229 1.00 0.00 C ATOM 1243 CD1 PHE A 76 -1.099 -1.415 -3.820 1.00 0.00 C ATOM 1244 CD2 PHE A 76 -0.625 -3.740 -4.069 1.00 0.00 C ATOM 1245 CE1 PHE A 76 0.149 -1.217 -3.265 1.00 0.00 C ATOM 1246 CE2 PHE A 76 0.625 -3.547 -3.514 1.00 0.00 C ATOM 1247 CZ PHE A 76 1.012 -2.284 -3.112 1.00 0.00 C ATOM 0 H PHE A 76 -5.070 -2.901 -5.896 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.261 -0.846 -5.354 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.599 -2.928 -4.029 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -2.879 -3.867 -5.321 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.771 -0.577 -3.937 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.924 -4.730 -4.382 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.450 -0.229 -2.951 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.299 -4.383 -3.395 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.989 -2.131 -2.678 1.00 0.00 H new ATOM 1257 N GLY A 77 -2.416 -2.779 -7.893 1.00 0.00 N ATOM 1258 CA GLY A 77 -1.540 -2.859 -9.048 1.00 0.00 C ATOM 1259 C GLY A 77 -1.612 -1.615 -9.911 1.00 0.00 C ATOM 1260 O GLY A 77 -0.610 -1.196 -10.492 1.00 0.00 O ATOM 0 H GLY A 77 -3.110 -3.524 -7.832 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.513 -3.007 -8.713 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.809 -3.730 -9.646 1.00 0.00 H new ATOM 1423 N ILE B 2 3.300 5.104 -4.109 1.00 0.00 N ATOM 1424 CA ILE B 2 3.089 4.536 -2.783 1.00 0.00 C ATOM 1425 C ILE B 2 2.877 5.633 -1.745 1.00 0.00 C ATOM 1426 O ILE B 2 2.082 5.478 -0.817 1.00 0.00 O ATOM 1427 CB ILE B 2 4.278 3.649 -2.360 1.00 0.00 C ATOM 1428 CG1 ILE B 2 4.427 2.467 -3.326 1.00 0.00 C ATOM 1429 CG2 ILE B 2 4.104 3.159 -0.928 1.00 0.00 C ATOM 1430 CD1 ILE B 2 3.217 1.554 -3.369 1.00 0.00 C ATOM 0 HA ILE B 2 2.192 3.919 -2.835 1.00 0.00 H new ATOM 0 HB ILE B 2 5.189 4.247 -2.402 1.00 0.00 H new ATOM 0 HG12 ILE B 2 4.616 2.851 -4.328 1.00 0.00 H new ATOM 0 HG13 ILE B 2 5.301 1.883 -3.038 1.00 0.00 H new ATOM 0 HG21 ILE B 2 4.954 2.535 -0.651 1.00 0.00 H new ATOM 0 HG22 ILE B 2 4.047 4.015 -0.255 1.00 0.00 H new ATOM 0 HG23 ILE B 2 3.186 2.576 -0.852 1.00 0.00 H new ATOM 0 HD11 ILE B 2 3.398 0.743 -4.074 1.00 0.00 H new ATOM 0 HD12 ILE B 2 3.039 1.139 -2.377 1.00 0.00 H new ATOM 0 HD13 ILE B 2 2.343 2.123 -3.687 1.00 0.00 H new ATOM 1442 N GLN B 3 3.590 6.743 -1.911 1.00 0.00 N ATOM 1443 CA GLN B 3 3.485 7.872 -0.998 1.00 0.00 C ATOM 1444 C GLN B 3 2.037 8.339 -0.896 1.00 0.00 C ATOM 1445 O GLN B 3 1.603 8.819 0.150 1.00 0.00 O ATOM 1446 CB GLN B 3 4.394 9.016 -1.466 1.00 0.00 C ATOM 1447 CG GLN B 3 4.445 10.203 -0.512 1.00 0.00 C ATOM 1448 CD GLN B 3 3.271 11.157 -0.662 1.00 0.00 C ATOM 1449 OE1 GLN B 3 3.098 12.069 0.146 1.00 0.00 O ATOM 1450 NE2 GLN B 3 2.468 10.970 -1.707 1.00 0.00 N ATOM 0 H GLN B 3 4.251 6.883 -2.675 1.00 0.00 H new ATOM 0 HA GLN B 3 3.811 7.556 -0.007 1.00 0.00 H new ATOM 0 HB2 GLN B 3 5.404 8.630 -1.602 1.00 0.00 H new ATOM 0 HB3 GLN B 3 4.051 9.362 -2.441 1.00 0.00 H new ATOM 0 HG2 GLN B 3 4.473 9.833 0.513 1.00 0.00 H new ATOM 0 HG3 GLN B 3 5.372 10.752 -0.678 1.00 0.00 H new ATOM 0 HE21 GLN B 3 2.645 10.202 -2.355 1.00 0.00 H new ATOM 0 HE22 GLN B 3 1.676 11.595 -1.860 1.00 0.00 H new ATOM 1459 N MET B 4 1.296 8.196 -1.991 1.00 0.00 N ATOM 1460 CA MET B 4 -0.104 8.602 -2.024 1.00 0.00 C ATOM 1461 C MET B 4 -0.932 7.801 -1.022 1.00 0.00 C ATOM 1462 O MET B 4 -1.740 8.366 -0.288 1.00 0.00 O ATOM 1463 CB MET B 4 -0.680 8.430 -3.431 1.00 0.00 C ATOM 1464 CG MET B 4 0.046 9.246 -4.487 1.00 0.00 C ATOM 1465 SD MET B 4 -0.021 11.017 -4.155 1.00 0.00 S ATOM 1466 CE MET B 4 0.928 11.659 -5.530 1.00 0.00 C ATOM 0 H MET B 4 1.642 7.802 -2.866 1.00 0.00 H new ATOM 0 HA MET B 4 -0.152 9.655 -1.747 1.00 0.00 H new ATOM 0 HB2 MET B 4 -0.639 7.376 -3.706 1.00 0.00 H new ATOM 0 HB3 MET B 4 -1.732 8.716 -3.422 1.00 0.00 H new ATOM 0 HG2 MET B 4 1.087 8.928 -4.536 1.00 0.00 H new ATOM 0 HG3 MET B 4 -0.395 9.045 -5.464 1.00 0.00 H new ATOM 0 HE1 MET B 4 0.976 12.746 -5.463 1.00 0.00 H new ATOM 0 HE2 MET B 4 1.937 11.249 -5.499 1.00 0.00 H new ATOM 0 HE3 MET B 4 0.449 11.374 -6.467 1.00 0.00 H new ATOM 1476 N LEU B 5 -0.730 6.484 -0.999 1.00 0.00 N ATOM 1477 CA LEU B 5 -1.466 5.618 -0.082 1.00 0.00 C ATOM 1478 C LEU B 5 -1.046 5.867 1.363 1.00 0.00 C ATOM 1479 O LEU B 5 -1.892 6.002 2.247 1.00 0.00 O ATOM 1480 CB LEU B 5 -1.265 4.145 -0.452 1.00 0.00 C ATOM 1481 CG LEU B 5 -1.807 3.742 -1.827 1.00 0.00 C ATOM 1482 CD1 LEU B 5 -1.652 2.245 -2.044 1.00 0.00 C ATOM 1483 CD2 LEU B 5 -3.267 4.152 -1.970 1.00 0.00 C ATOM 0 H LEU B 5 -0.067 5.997 -1.601 1.00 0.00 H new ATOM 0 HA LEU B 5 -2.526 5.857 -0.173 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -0.199 3.920 -0.418 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -1.745 3.527 0.306 1.00 0.00 H new ATOM 0 HG LEU B 5 -1.227 4.263 -2.589 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -2.042 1.977 -3.026 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -0.597 1.976 -1.987 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.205 1.707 -1.274 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -3.633 3.857 -2.953 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -3.860 3.660 -1.199 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -3.354 5.233 -1.860 1.00 0.00 H new ATOM 1495 N LEU B 6 0.261 5.940 1.595 1.00 0.00 N ATOM 1496 CA LEU B 6 0.789 6.191 2.934 1.00 0.00 C ATOM 1497 C LEU B 6 0.241 7.501 3.482 1.00 0.00 C ATOM 1498 O LEU B 6 -0.208 7.574 4.627 1.00 0.00 O ATOM 1499 CB LEU B 6 2.318 6.238 2.898 1.00 0.00 C ATOM 1500 CG LEU B 6 3.003 4.884 2.717 1.00 0.00 C ATOM 1501 CD1 LEU B 6 4.454 5.072 2.302 1.00 0.00 C ATOM 1502 CD2 LEU B 6 2.918 4.080 4.005 1.00 0.00 C ATOM 0 H LEU B 6 0.974 5.829 0.875 1.00 0.00 H new ATOM 0 HA LEU B 6 0.475 5.378 3.589 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.627 6.896 2.086 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.674 6.687 3.825 1.00 0.00 H new ATOM 0 HG LEU B 6 2.490 4.335 1.927 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.926 4.097 2.178 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.495 5.618 1.359 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.982 5.636 3.071 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.409 3.117 3.866 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.412 4.626 4.808 1.00 0.00 H new ATOM 0 HD23 LEU B 6 1.872 3.920 4.265 1.00 0.00 H new ATOM 1514 N GLU B 7 0.276 8.529 2.647 1.00 0.00 N ATOM 1515 CA GLU B 7 -0.222 9.846 3.018 1.00 0.00 C ATOM 1516 C GLU B 7 -1.738 9.818 3.184 1.00 0.00 C ATOM 1517 O GLU B 7 -2.292 10.482 4.061 1.00 0.00 O ATOM 1518 CB GLU B 7 0.170 10.870 1.951 1.00 0.00 C ATOM 1519 CG GLU B 7 -0.290 12.286 2.265 1.00 0.00 C ATOM 1520 CD GLU B 7 0.020 13.264 1.148 1.00 0.00 C ATOM 1521 OE1 GLU B 7 0.573 12.833 0.115 1.00 0.00 O ATOM 1522 OE2 GLU B 7 -0.295 14.463 1.305 1.00 0.00 O ATOM 0 H GLU B 7 0.648 8.475 1.699 1.00 0.00 H new ATOM 0 HA GLU B 7 0.225 10.132 3.970 1.00 0.00 H new ATOM 0 HB2 GLU B 7 1.254 10.866 1.837 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -0.252 10.564 0.994 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -1.364 12.282 2.451 1.00 0.00 H new ATOM 0 HG3 GLU B 7 0.191 12.625 3.183 1.00 0.00 H new ATOM 1529 N ALA B 8 -2.399 9.047 2.325 1.00 0.00 N ATOM 1530 CA ALA B 8 -3.851 8.924 2.354 1.00 0.00 C ATOM 1531 C ALA B 8 -4.344 8.412 3.702 1.00 0.00 C ATOM 1532 O ALA B 8 -5.323 8.919 4.246 1.00 0.00 O ATOM 1533 CB ALA B 8 -4.322 8.002 1.241 1.00 0.00 C ATOM 0 H ALA B 8 -1.947 8.495 1.596 1.00 0.00 H new ATOM 0 HA ALA B 8 -4.271 9.918 2.201 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -5.408 7.918 1.273 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -4.018 8.410 0.277 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -3.878 7.015 1.373 1.00 0.00 H new ATOM 1539 N ALA B 9 -3.668 7.398 4.230 1.00 0.00 N ATOM 1540 CA ALA B 9 -4.048 6.811 5.510 1.00 0.00 C ATOM 1541 C ALA B 9 -3.987 7.841 6.635 1.00 0.00 C ATOM 1542 O ALA B 9 -4.880 7.901 7.478 1.00 0.00 O ATOM 1543 CB ALA B 9 -3.152 5.624 5.831 1.00 0.00 C ATOM 0 H ALA B 9 -2.855 6.965 3.792 1.00 0.00 H new ATOM 0 HA ALA B 9 -5.079 6.467 5.428 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -3.446 5.195 6.789 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -3.252 4.871 5.050 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -2.115 5.955 5.885 1.00 0.00 H new ATOM 1549 N ASP B 10 -2.930 8.648 6.645 1.00 0.00 N ATOM 1550 CA ASP B 10 -2.756 9.674 7.670 1.00 0.00 C ATOM 1551 C ASP B 10 -3.903 10.680 7.628 1.00 0.00 C ATOM 1552 O ASP B 10 -4.500 11.006 8.654 1.00 0.00 O ATOM 1553 CB ASP B 10 -1.420 10.394 7.472 1.00 0.00 C ATOM 1554 CG ASP B 10 -1.127 11.395 8.575 1.00 0.00 C ATOM 1555 OD1 ASP B 10 -1.905 12.362 8.724 1.00 0.00 O ATOM 1556 OD2 ASP B 10 -0.120 11.212 9.289 1.00 0.00 O ATOM 0 H ASP B 10 -2.180 8.612 5.955 1.00 0.00 H new ATOM 0 HA ASP B 10 -2.759 9.189 8.646 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.617 9.658 7.432 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -1.428 10.909 6.512 1.00 0.00 H new ATOM 1561 N TYR B 11 -4.202 11.161 6.427 1.00 0.00 N ATOM 1562 CA TYR B 11 -5.276 12.129 6.221 1.00 0.00 C ATOM 1563 C TYR B 11 -6.627 11.556 6.632 1.00 0.00 C ATOM 1564 O TYR B 11 -7.346 12.134 7.448 1.00 0.00 O ATOM 1565 CB TYR B 11 -5.335 12.521 4.746 1.00 0.00 C ATOM 1566 CG TYR B 11 -6.579 13.299 4.381 1.00 0.00 C ATOM 1567 CD1 TYR B 11 -6.642 14.669 4.581 1.00 0.00 C ATOM 1568 CD2 TYR B 11 -7.686 12.658 3.833 1.00 0.00 C ATOM 1569 CE1 TYR B 11 -7.773 15.385 4.248 1.00 0.00 C ATOM 1570 CE2 TYR B 11 -8.822 13.370 3.496 1.00 0.00 C ATOM 1571 CZ TYR B 11 -8.861 14.733 3.707 1.00 0.00 C ATOM 1572 OH TYR B 11 -9.990 15.445 3.373 1.00 0.00 O ATOM 0 H TYR B 11 -3.712 10.894 5.573 1.00 0.00 H new ATOM 0 HA TYR B 11 -5.064 13.001 6.840 1.00 0.00 H new ATOM 0 HB2 TYR B 11 -4.457 13.118 4.501 1.00 0.00 H new ATOM 0 HB3 TYR B 11 -5.287 11.619 4.136 1.00 0.00 H new ATOM 0 HD1 TYR B 11 -5.792 15.184 5.004 1.00 0.00 H new ATOM 0 HD2 TYR B 11 -7.657 11.591 3.669 1.00 0.00 H new ATOM 0 HE1 TYR B 11 -7.806 16.452 4.410 1.00 0.00 H new ATOM 0 HE2 TYR B 11 -9.674 12.862 3.070 1.00 0.00 H new ATOM 0 HH TYR B 11 -10.663 14.836 3.003 1.00 0.00 H new ATOM 1582 N LEU B 12 -6.967 10.430 6.024 1.00 0.00 N ATOM 1583 CA LEU B 12 -8.236 9.762 6.268 1.00 0.00 C ATOM 1584 C LEU B 12 -8.436 9.451 7.749 1.00 0.00 C ATOM 1585 O LEU B 12 -9.490 9.744 8.313 1.00 0.00 O ATOM 1586 CB LEU B 12 -8.286 8.483 5.435 1.00 0.00 C ATOM 1587 CG LEU B 12 -9.657 7.819 5.328 1.00 0.00 C ATOM 1588 CD1 LEU B 12 -10.635 8.746 4.623 1.00 0.00 C ATOM 1589 CD2 LEU B 12 -9.543 6.491 4.591 1.00 0.00 C ATOM 0 H LEU B 12 -6.371 9.953 5.347 1.00 0.00 H new ATOM 0 HA LEU B 12 -9.047 10.428 5.974 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -7.933 8.712 4.429 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -7.587 7.765 5.862 1.00 0.00 H new ATOM 0 HG LEU B 12 -10.034 7.622 6.332 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -11.609 8.262 4.553 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -10.731 9.673 5.189 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -10.267 8.969 3.621 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -10.527 6.028 4.521 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -9.152 6.664 3.588 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -8.868 5.830 5.135 1.00 0.00 H new ATOM 1601 N GLU B 13 -7.424 8.864 8.377 1.00 0.00 N ATOM 1602 CA GLU B 13 -7.500 8.525 9.793 1.00 0.00 C ATOM 1603 C GLU B 13 -7.468 9.781 10.656 1.00 0.00 C ATOM 1604 O GLU B 13 -8.002 9.739 11.784 1.00 0.00 O ATOM 1605 CB GLU B 13 -6.353 7.591 10.182 1.00 0.00 C ATOM 1606 CG GLU B 13 -6.430 6.223 9.521 1.00 0.00 C ATOM 1607 CD GLU B 13 -7.633 5.417 9.975 1.00 0.00 C ATOM 1608 OE1 GLU B 13 -8.775 5.870 9.747 1.00 0.00 O ATOM 1609 OE2 GLU B 13 -7.432 4.332 10.561 1.00 0.00 O ATOM 1610 OXT GLU B 13 -6.908 10.799 10.197 1.00 0.00 O ATOM 0 H GLU B 13 -6.543 8.613 7.929 1.00 0.00 H new ATOM 0 HA GLU B 13 -8.446 8.012 9.966 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -5.406 8.061 9.915 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -6.351 7.463 11.264 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -6.470 6.349 8.439 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -5.520 5.666 9.743 1.00 0.00 H new