USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=12 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 38:sc= -2.37! USER MOD Single : A 15 ASN : amide:sc= -0.562 K(o=-0.56,f=-2.7!) USER MOD Single : A 16 LYS NZ :NH3+ 146:sc= -0.188 (180deg=-0.78) USER MOD Single : A 18 LYS NZ :NH3+ 170:sc= -0.0184 (180deg=-0.161) 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= -1.08 USER MOD Single : A 30 SER OG : rot -87:sc= -2.38! USER MOD Single : A 36 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.24) USER MOD Single : A 37 THR OG1 : rot 85:sc= 1.28 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -1.5 K(o=-1.5,f=-0.21) USER MOD Single : A 69 GLN : amide:sc= -2.64! C(o=-2.6!,f=-6.7!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : B 3 GLN : amide:sc= -6.3! K(o=-6.3!,f=-2) USER MOD Single : B 4 MET CE :methyl 160:sc= -0.147 (180deg=-0.662) USER MOD Single : B 11 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 131 N ALA A 10 -6.584 7.660 -4.217 1.00 0.00 N ATOM 132 CA ALA A 10 -5.817 6.781 -3.348 1.00 0.00 C ATOM 133 C ALA A 10 -6.552 6.558 -2.029 1.00 0.00 C ATOM 134 O ALA A 10 -6.635 5.432 -1.531 1.00 0.00 O ATOM 135 CB ALA A 10 -4.438 7.372 -3.094 1.00 0.00 C ATOM 0 HA ALA A 10 -5.700 5.816 -3.842 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.871 6.707 -2.442 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.911 7.487 -4.041 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.542 8.346 -2.616 1.00 0.00 H new ATOM 141 N ILE A 11 -7.086 7.646 -1.474 1.00 0.00 N ATOM 142 CA ILE A 11 -7.818 7.586 -0.215 1.00 0.00 C ATOM 143 C ILE A 11 -8.878 6.499 -0.254 1.00 0.00 C ATOM 144 O ILE A 11 -9.035 5.738 0.696 1.00 0.00 O ATOM 145 CB ILE A 11 -8.531 8.913 0.102 1.00 0.00 C ATOM 146 CG1 ILE A 11 -7.545 10.084 0.125 1.00 0.00 C ATOM 147 CG2 ILE A 11 -9.261 8.797 1.429 1.00 0.00 C ATOM 148 CD1 ILE A 11 -6.520 10.010 1.234 1.00 0.00 C ATOM 0 H ILE A 11 -7.024 8.580 -1.880 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.076 7.375 0.555 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.255 9.114 -0.687 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.026 10.126 -0.832 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.105 11.014 0.225 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.765 9.738 1.651 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.998 7.996 1.370 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.545 8.574 2.220 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.861 10.877 1.179 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.028 10.001 2.199 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.931 9.099 1.125 1.00 0.00 H new ATOM 160 N SER A 12 -9.617 6.456 -1.355 1.00 0.00 N ATOM 161 CA SER A 12 -10.687 5.483 -1.522 1.00 0.00 C ATOM 162 C SER A 12 -10.172 4.056 -1.393 1.00 0.00 C ATOM 163 O SER A 12 -10.845 3.209 -0.811 1.00 0.00 O ATOM 164 CB SER A 12 -11.373 5.675 -2.875 1.00 0.00 C ATOM 165 OG SER A 12 -12.413 4.729 -3.058 1.00 0.00 O ATOM 0 H SER A 12 -9.494 7.086 -2.148 1.00 0.00 H new ATOM 0 HA SER A 12 -11.413 5.650 -0.726 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.779 6.684 -2.940 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.640 5.574 -3.676 1.00 0.00 H new ATOM 0 HG SER A 12 -12.837 4.874 -3.930 1.00 0.00 H new ATOM 171 N TYR A 13 -8.985 3.782 -1.926 1.00 0.00 N ATOM 172 CA TYR A 13 -8.426 2.439 -1.835 1.00 0.00 C ATOM 173 C TYR A 13 -8.212 2.064 -0.379 1.00 0.00 C ATOM 174 O TYR A 13 -8.666 1.017 0.079 1.00 0.00 O ATOM 175 CB TYR A 13 -7.099 2.335 -2.587 1.00 0.00 C ATOM 176 CG TYR A 13 -6.544 0.928 -2.601 1.00 0.00 C ATOM 177 CD1 TYR A 13 -7.319 -0.136 -3.041 1.00 0.00 C ATOM 178 CD2 TYR A 13 -5.254 0.661 -2.161 1.00 0.00 C ATOM 179 CE1 TYR A 13 -6.829 -1.425 -3.041 1.00 0.00 C ATOM 180 CE2 TYR A 13 -4.752 -0.628 -2.162 1.00 0.00 C ATOM 181 CZ TYR A 13 -5.545 -1.666 -2.602 1.00 0.00 C ATOM 182 OH TYR A 13 -5.055 -2.952 -2.597 1.00 0.00 O ATOM 0 H TYR A 13 -8.401 4.459 -2.417 1.00 0.00 H new ATOM 0 HA TYR A 13 -9.136 1.751 -2.294 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -7.240 2.676 -3.613 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.372 3.003 -2.126 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -8.324 0.049 -3.390 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.633 1.473 -1.812 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -7.448 -2.241 -3.383 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.746 -0.820 -1.820 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.377 -3.428 -3.391 1.00 0.00 H new ATOM 192 N VAL A 14 -7.524 2.938 0.342 1.00 0.00 N ATOM 193 CA VAL A 14 -7.247 2.719 1.754 1.00 0.00 C ATOM 194 C VAL A 14 -8.543 2.675 2.554 1.00 0.00 C ATOM 195 O VAL A 14 -8.672 1.921 3.519 1.00 0.00 O ATOM 196 CB VAL A 14 -6.349 3.835 2.317 1.00 0.00 C ATOM 197 CG1 VAL A 14 -5.931 3.521 3.745 1.00 0.00 C ATOM 198 CG2 VAL A 14 -5.132 4.036 1.425 1.00 0.00 C ATOM 0 H VAL A 14 -7.146 3.809 -0.030 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.731 1.763 1.843 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.919 4.764 2.332 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.297 4.323 4.123 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.818 3.433 4.373 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.378 2.582 3.764 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.506 4.828 1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.559 3.110 1.377 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.458 4.314 0.423 1.00 0.00 H new ATOM 208 N ASN A 15 -9.495 3.501 2.141 1.00 0.00 N ATOM 209 CA ASN A 15 -10.789 3.589 2.802 1.00 0.00 C ATOM 210 C ASN A 15 -11.588 2.296 2.645 1.00 0.00 C ATOM 211 O ASN A 15 -12.131 1.779 3.621 1.00 0.00 O ATOM 212 CB ASN A 15 -11.573 4.782 2.244 1.00 0.00 C ATOM 213 CG ASN A 15 -12.960 4.908 2.844 1.00 0.00 C ATOM 214 OD1 ASN A 15 -13.798 4.018 2.699 1.00 0.00 O ATOM 215 ND2 ASN A 15 -13.209 6.020 3.525 1.00 0.00 N ATOM 0 H ASN A 15 -9.392 4.126 1.342 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.620 3.738 3.869 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.015 5.699 2.435 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -11.658 4.681 1.162 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -14.124 6.162 3.953 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.485 6.732 3.621 1.00 0.00 H new ATOM 222 N LYS A 16 -11.655 1.768 1.423 1.00 0.00 N ATOM 223 CA LYS A 16 -12.387 0.529 1.176 1.00 0.00 C ATOM 224 C LYS A 16 -11.772 -0.606 1.975 1.00 0.00 C ATOM 225 O LYS A 16 -12.480 -1.425 2.551 1.00 0.00 O ATOM 226 CB LYS A 16 -12.389 0.164 -0.312 1.00 0.00 C ATOM 227 CG LYS A 16 -13.053 1.199 -1.200 1.00 0.00 C ATOM 228 CD LYS A 16 -13.233 0.696 -2.611 1.00 0.00 C ATOM 229 CE LYS A 16 -14.269 -0.405 -2.659 1.00 0.00 C ATOM 230 NZ LYS A 16 -15.541 -0.006 -1.997 1.00 0.00 N ATOM 0 H LYS A 16 -11.216 2.175 0.597 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.419 0.686 1.490 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.360 0.023 -0.642 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.899 -0.791 -0.441 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -14.024 1.466 -0.783 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -12.451 2.107 -1.212 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.538 1.518 -3.259 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.282 0.324 -2.994 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -14.469 -0.669 -3.697 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.872 -1.297 -2.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -16.343 -0.444 -2.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -15.532 -0.324 -1.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -15.638 1.029 -2.027 1.00 0.00 H new ATOM 244 N ILE A 17 -10.447 -0.636 2.014 1.00 0.00 N ATOM 245 CA ILE A 17 -9.731 -1.659 2.760 1.00 0.00 C ATOM 246 C ILE A 17 -10.119 -1.593 4.230 1.00 0.00 C ATOM 247 O ILE A 17 -10.250 -2.616 4.903 1.00 0.00 O ATOM 248 CB ILE A 17 -8.206 -1.481 2.626 1.00 0.00 C ATOM 249 CG1 ILE A 17 -7.788 -1.629 1.161 1.00 0.00 C ATOM 250 CG2 ILE A 17 -7.471 -2.484 3.503 1.00 0.00 C ATOM 251 CD1 ILE A 17 -6.335 -1.298 0.906 1.00 0.00 C ATOM 0 H ILE A 17 -9.847 0.037 1.537 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.004 -2.630 2.347 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.938 -0.480 2.964 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.980 -2.653 0.840 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.412 -0.980 0.547 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.396 -2.343 3.395 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.754 -2.332 4.545 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.736 -3.496 3.199 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.113 -1.426 -0.154 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.141 -0.265 1.195 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.702 -1.964 1.492 1.00 0.00 H new ATOM 263 N LYS A 18 -10.304 -0.371 4.714 1.00 0.00 N ATOM 264 CA LYS A 18 -10.679 -0.137 6.100 1.00 0.00 C ATOM 265 C LYS A 18 -12.090 -0.653 6.379 1.00 0.00 C ATOM 266 O LYS A 18 -12.318 -1.371 7.351 1.00 0.00 O ATOM 267 CB LYS A 18 -10.607 1.361 6.411 1.00 0.00 C ATOM 268 CG LYS A 18 -10.704 1.681 7.894 1.00 0.00 C ATOM 269 CD LYS A 18 -10.479 3.160 8.167 1.00 0.00 C ATOM 270 CE LYS A 18 -11.501 4.028 7.449 1.00 0.00 C ATOM 271 NZ LYS A 18 -12.893 3.720 7.879 1.00 0.00 N ATOM 0 H LYS A 18 -10.199 0.479 4.160 1.00 0.00 H new ATOM 0 HA LYS A 18 -9.981 -0.678 6.740 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.670 1.759 6.023 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.413 1.872 5.884 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.686 1.388 8.266 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.967 1.094 8.442 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.535 3.344 9.240 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.475 3.440 7.847 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.285 5.079 7.644 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.412 3.878 6.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.541 4.439 7.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.168 2.783 7.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.944 3.722 8.918 1.00 0.00 H new ATOM 285 N THR A 19 -13.031 -0.267 5.522 1.00 0.00 N ATOM 286 CA THR A 19 -14.428 -0.670 5.669 1.00 0.00 C ATOM 287 C THR A 19 -14.630 -2.147 5.353 1.00 0.00 C ATOM 288 O THR A 19 -15.550 -2.782 5.869 1.00 0.00 O ATOM 289 CB THR A 19 -15.348 0.168 4.756 1.00 0.00 C ATOM 290 OG1 THR A 19 -16.721 -0.104 5.060 1.00 0.00 O ATOM 291 CG2 THR A 19 -15.087 -0.138 3.288 1.00 0.00 C ATOM 0 H THR A 19 -12.851 0.328 4.713 1.00 0.00 H new ATOM 0 HA THR A 19 -14.692 -0.495 6.712 1.00 0.00 H new ATOM 0 HB THR A 19 -15.133 1.221 4.937 1.00 0.00 H new ATOM 0 HG1 THR A 19 -17.298 0.433 4.477 1.00 0.00 H new ATOM 0 HG21 THR A 19 -15.749 0.466 2.667 1.00 0.00 H new ATOM 0 HG22 THR A 19 -14.050 0.095 3.047 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.275 -1.195 3.098 1.00 0.00 H new ATOM 299 N ARG A 20 -13.778 -2.687 4.492 1.00 0.00 N ATOM 300 CA ARG A 20 -13.878 -4.085 4.100 1.00 0.00 C ATOM 301 C ARG A 20 -13.610 -5.009 5.279 1.00 0.00 C ATOM 302 O ARG A 20 -14.459 -5.815 5.657 1.00 0.00 O ATOM 303 CB ARG A 20 -12.897 -4.389 2.963 1.00 0.00 C ATOM 304 CG ARG A 20 -12.868 -5.855 2.558 1.00 0.00 C ATOM 305 CD ARG A 20 -14.261 -6.366 2.237 1.00 0.00 C ATOM 306 NE ARG A 20 -14.263 -7.778 1.868 1.00 0.00 N ATOM 307 CZ ARG A 20 -15.362 -8.456 1.553 1.00 0.00 C ATOM 308 NH1 ARG A 20 -16.544 -7.855 1.573 1.00 0.00 N ATOM 309 NH2 ARG A 20 -15.281 -9.737 1.220 1.00 0.00 N ATOM 0 H ARG A 20 -13.011 -2.178 4.052 1.00 0.00 H new ATOM 0 HA ARG A 20 -14.896 -4.263 3.753 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.163 -3.786 2.095 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.896 -4.085 3.268 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.223 -5.982 1.689 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.437 -6.449 3.364 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.908 -6.218 3.102 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.681 -5.779 1.420 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.371 -8.272 1.851 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -16.611 -6.870 1.830 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -17.386 -8.377 1.331 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -14.374 -10.204 1.205 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -16.126 -10.256 0.979 1.00 0.00 H new ATOM 323 N PHE A 21 -12.419 -4.892 5.848 1.00 0.00 N ATOM 324 CA PHE A 21 -12.029 -5.722 6.976 1.00 0.00 C ATOM 325 C PHE A 21 -12.317 -5.036 8.311 1.00 0.00 C ATOM 326 O PHE A 21 -11.508 -5.109 9.236 1.00 0.00 O ATOM 327 CB PHE A 21 -10.546 -6.076 6.883 1.00 0.00 C ATOM 328 CG PHE A 21 -10.169 -6.803 5.622 1.00 0.00 C ATOM 329 CD1 PHE A 21 -9.951 -6.110 4.441 1.00 0.00 C ATOM 330 CD2 PHE A 21 -10.008 -8.178 5.625 1.00 0.00 C ATOM 331 CE1 PHE A 21 -9.587 -6.779 3.286 1.00 0.00 C ATOM 332 CE2 PHE A 21 -9.640 -8.852 4.479 1.00 0.00 C ATOM 333 CZ PHE A 21 -9.430 -8.152 3.306 1.00 0.00 C ATOM 0 H PHE A 21 -11.706 -4.229 5.546 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.624 -6.634 6.934 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -9.959 -5.160 6.951 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.276 -6.692 7.740 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.067 -5.036 4.423 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -10.173 -8.731 6.538 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.426 -6.229 2.370 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -9.516 -9.925 4.498 1.00 0.00 H new ATOM 0 HZ PHE A 21 -9.144 -8.677 2.407 1.00 0.00 H new ATOM 343 N LEU A 22 -13.474 -4.381 8.417 1.00 0.00 N ATOM 344 CA LEU A 22 -13.852 -3.705 9.656 1.00 0.00 C ATOM 345 C LEU A 22 -13.788 -4.670 10.836 1.00 0.00 C ATOM 346 O LEU A 22 -13.433 -4.284 11.949 1.00 0.00 O ATOM 347 CB LEU A 22 -15.258 -3.111 9.545 1.00 0.00 C ATOM 348 CG LEU A 22 -15.375 -1.860 8.675 1.00 0.00 C ATOM 349 CD1 LEU A 22 -16.832 -1.448 8.534 1.00 0.00 C ATOM 350 CD2 LEU A 22 -14.557 -0.721 9.268 1.00 0.00 C ATOM 0 H LEU A 22 -14.160 -4.305 7.666 1.00 0.00 H new ATOM 0 HA LEU A 22 -13.143 -2.894 9.825 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -15.926 -3.874 9.146 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -15.612 -2.870 10.547 1.00 0.00 H new ATOM 0 HG LEU A 22 -14.981 -2.089 7.685 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -16.899 -0.556 7.912 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -17.396 -2.257 8.070 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -17.247 -1.235 9.519 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -14.651 0.162 8.636 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -14.924 -0.492 10.269 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.509 -1.016 9.324 1.00 0.00 H new ATOM 362 N ASP A 23 -14.132 -5.928 10.580 1.00 0.00 N ATOM 363 CA ASP A 23 -14.113 -6.957 11.613 1.00 0.00 C ATOM 364 C ASP A 23 -12.681 -7.381 11.915 1.00 0.00 C ATOM 365 O ASP A 23 -12.331 -7.643 13.067 1.00 0.00 O ATOM 366 CB ASP A 23 -14.940 -8.165 11.173 1.00 0.00 C ATOM 367 CG ASP A 23 -15.038 -9.235 12.246 1.00 0.00 C ATOM 368 OD1 ASP A 23 -14.513 -9.016 13.358 1.00 0.00 O ATOM 369 OD2 ASP A 23 -15.645 -10.292 11.973 1.00 0.00 O ATOM 0 H ASP A 23 -14.428 -6.260 9.662 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.552 -6.544 12.521 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.943 -7.834 10.904 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.496 -8.596 10.276 1.00 0.00 H new ATOM 374 N HIS A 24 -11.858 -7.448 10.871 1.00 0.00 N ATOM 375 CA HIS A 24 -10.467 -7.834 10.999 1.00 0.00 C ATOM 376 C HIS A 24 -9.547 -6.619 10.830 1.00 0.00 C ATOM 377 O HIS A 24 -8.960 -6.422 9.766 1.00 0.00 O ATOM 378 CB HIS A 24 -10.142 -8.889 9.950 1.00 0.00 C ATOM 379 CG HIS A 24 -10.920 -10.158 10.114 1.00 0.00 C ATOM 380 ND1 HIS A 24 -10.840 -10.951 11.239 1.00 0.00 N ATOM 381 CD2 HIS A 24 -11.803 -10.768 9.289 1.00 0.00 C ATOM 382 CE1 HIS A 24 -11.639 -11.995 11.099 1.00 0.00 C ATOM 383 NE2 HIS A 24 -12.235 -11.907 9.924 1.00 0.00 N ATOM 0 H HIS A 24 -12.143 -7.235 9.915 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.303 -8.245 11.995 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -10.339 -8.478 8.960 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.077 -9.117 9.994 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -12.111 -10.423 8.313 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -11.780 -12.785 11.822 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -12.907 -12.576 9.549 1.00 0.00 H new ATOM 392 N PRO A 25 -9.410 -5.785 11.878 1.00 0.00 N ATOM 393 CA PRO A 25 -8.556 -4.590 11.836 1.00 0.00 C ATOM 394 C PRO A 25 -7.107 -4.926 11.515 1.00 0.00 C ATOM 395 O PRO A 25 -6.407 -4.145 10.871 1.00 0.00 O ATOM 396 CB PRO A 25 -8.673 -4.006 13.246 1.00 0.00 C ATOM 397 CG PRO A 25 -9.178 -5.125 14.088 1.00 0.00 C ATOM 398 CD PRO A 25 -10.061 -5.935 13.187 1.00 0.00 C ATOM 0 HA PRO A 25 -8.868 -3.899 11.053 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.709 -3.646 13.605 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.357 -3.158 13.266 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.356 -5.726 14.476 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.733 -4.750 14.948 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.109 -6.979 13.498 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.084 -5.558 13.176 1.00 0.00 H new ATOM 406 N GLU A 26 -6.664 -6.094 11.970 1.00 0.00 N ATOM 407 CA GLU A 26 -5.295 -6.543 11.736 1.00 0.00 C ATOM 408 C GLU A 26 -4.936 -6.448 10.256 1.00 0.00 C ATOM 409 O GLU A 26 -3.795 -6.152 9.902 1.00 0.00 O ATOM 410 CB GLU A 26 -5.121 -7.983 12.224 1.00 0.00 C ATOM 411 CG GLU A 26 -6.059 -8.973 11.551 1.00 0.00 C ATOM 412 CD GLU A 26 -5.870 -10.389 12.057 1.00 0.00 C ATOM 413 OE1 GLU A 26 -4.750 -10.925 11.918 1.00 0.00 O ATOM 414 OE2 GLU A 26 -6.841 -10.963 12.593 1.00 0.00 O ATOM 0 H GLU A 26 -7.235 -6.749 12.505 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.623 -5.892 12.296 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.091 -8.295 12.049 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.285 -8.015 13.301 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.090 -8.665 11.721 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.893 -8.951 10.474 1.00 0.00 H new ATOM 421 N ILE A 27 -5.917 -6.704 9.397 1.00 0.00 N ATOM 422 CA ILE A 27 -5.713 -6.652 7.953 1.00 0.00 C ATOM 423 C ILE A 27 -5.375 -5.233 7.501 1.00 0.00 C ATOM 424 O ILE A 27 -4.434 -5.019 6.738 1.00 0.00 O ATOM 425 CB ILE A 27 -6.976 -7.106 7.200 1.00 0.00 C ATOM 426 CG1 ILE A 27 -7.613 -8.319 7.893 1.00 0.00 C ATOM 427 CG2 ILE A 27 -6.639 -7.419 5.748 1.00 0.00 C ATOM 428 CD1 ILE A 27 -6.857 -9.616 7.722 1.00 0.00 C ATOM 0 H ILE A 27 -6.866 -6.951 9.677 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.885 -7.323 7.724 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.703 -6.294 7.215 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.703 -8.105 8.958 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.624 -8.451 7.507 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.541 -7.739 5.226 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.239 -6.527 5.267 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.896 -8.216 5.711 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.382 -10.415 8.245 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.789 -9.860 6.662 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.854 -9.510 8.135 1.00 0.00 H new ATOM 440 N TYR A 28 -6.162 -4.272 7.976 1.00 0.00 N ATOM 441 CA TYR A 28 -5.967 -2.868 7.628 1.00 0.00 C ATOM 442 C TYR A 28 -4.605 -2.386 8.095 1.00 0.00 C ATOM 443 O TYR A 28 -3.778 -1.935 7.303 1.00 0.00 O ATOM 444 CB TYR A 28 -7.050 -2.018 8.293 1.00 0.00 C ATOM 445 CG TYR A 28 -7.081 -0.576 7.829 1.00 0.00 C ATOM 446 CD1 TYR A 28 -7.004 -0.254 6.478 1.00 0.00 C ATOM 447 CD2 TYR A 28 -7.191 0.465 8.743 1.00 0.00 C ATOM 448 CE1 TYR A 28 -7.034 1.062 6.055 1.00 0.00 C ATOM 449 CE2 TYR A 28 -7.223 1.783 8.327 1.00 0.00 C ATOM 450 CZ TYR A 28 -7.144 2.075 6.982 1.00 0.00 C ATOM 451 OH TYR A 28 -7.175 3.385 6.564 1.00 0.00 O ATOM 0 H TYR A 28 -6.945 -4.442 8.607 1.00 0.00 H new ATOM 0 HA TYR A 28 -6.028 -2.770 6.544 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.022 -2.471 8.099 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -6.899 -2.037 9.372 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.919 -1.045 5.747 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -7.253 0.240 9.798 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.971 1.295 5.002 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.309 2.579 9.051 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.257 3.975 7.342 1.00 0.00 H new ATOM 461 N ARG A 29 -4.400 -2.486 9.398 1.00 0.00 N ATOM 462 CA ARG A 29 -3.157 -2.065 10.029 1.00 0.00 C ATOM 463 C ARG A 29 -1.937 -2.643 9.319 1.00 0.00 C ATOM 464 O ARG A 29 -1.031 -1.905 8.932 1.00 0.00 O ATOM 465 CB ARG A 29 -3.163 -2.502 11.489 1.00 0.00 C ATOM 466 CG ARG A 29 -4.261 -1.844 12.311 1.00 0.00 C ATOM 467 CD ARG A 29 -4.084 -0.334 12.374 1.00 0.00 C ATOM 468 NE ARG A 29 -5.183 0.321 13.080 1.00 0.00 N ATOM 469 CZ ARG A 29 -5.453 0.137 14.370 1.00 0.00 C ATOM 470 NH1 ARG A 29 -4.693 -0.661 15.108 1.00 0.00 N ATOM 471 NH2 ARG A 29 -6.482 0.761 14.927 1.00 0.00 N ATOM 0 H ARG A 29 -5.090 -2.861 10.049 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.091 -0.979 9.962 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.283 -3.584 11.536 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.196 -2.269 11.935 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.232 -2.079 11.876 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.256 -2.254 13.321 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.143 -0.101 12.873 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.016 0.065 11.362 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.779 0.958 12.552 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.896 -1.138 14.687 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.906 -0.797 16.096 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.066 1.382 14.367 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.689 0.620 15.916 1.00 0.00 H new ATOM 485 N SER A 30 -1.917 -3.961 9.156 1.00 0.00 N ATOM 486 CA SER A 30 -0.802 -4.636 8.495 1.00 0.00 C ATOM 487 C SER A 30 -0.501 -4.000 7.138 1.00 0.00 C ATOM 488 O SER A 30 0.641 -3.635 6.859 1.00 0.00 O ATOM 489 CB SER A 30 -1.104 -6.126 8.329 1.00 0.00 C ATOM 490 OG SER A 30 -2.331 -6.324 7.651 1.00 0.00 O ATOM 0 H SER A 30 -2.659 -4.585 9.472 1.00 0.00 H new ATOM 0 HA SER A 30 0.081 -4.525 9.124 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.297 -6.604 7.774 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.145 -6.603 9.308 1.00 0.00 H new ATOM 0 HG SER A 30 -3.067 -6.319 8.298 1.00 0.00 H new ATOM 496 N PHE A 31 -1.532 -3.855 6.307 1.00 0.00 N ATOM 497 CA PHE A 31 -1.376 -3.245 4.988 1.00 0.00 C ATOM 498 C PHE A 31 -0.659 -1.904 5.101 1.00 0.00 C ATOM 499 O PHE A 31 0.317 -1.641 4.391 1.00 0.00 O ATOM 500 CB PHE A 31 -2.748 -3.041 4.340 1.00 0.00 C ATOM 501 CG PHE A 31 -2.711 -2.191 3.101 1.00 0.00 C ATOM 502 CD1 PHE A 31 -2.076 -2.636 1.954 1.00 0.00 C ATOM 503 CD2 PHE A 31 -3.305 -0.938 3.091 1.00 0.00 C ATOM 504 CE1 PHE A 31 -2.037 -1.849 0.817 1.00 0.00 C ATOM 505 CE2 PHE A 31 -3.269 -0.149 1.958 1.00 0.00 C ATOM 506 CZ PHE A 31 -2.634 -0.604 0.820 1.00 0.00 C ATOM 0 H PHE A 31 -2.484 -4.151 6.524 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.779 -3.913 4.367 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.170 -4.014 4.090 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.418 -2.580 5.066 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.606 -3.608 1.947 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.801 -0.575 3.979 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.540 -2.208 -0.072 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.738 0.824 1.962 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.604 0.013 -0.066 1.00 0.00 H new ATOM 516 N LEU A 32 -1.148 -1.064 6.005 1.00 0.00 N ATOM 517 CA LEU A 32 -0.562 0.249 6.226 1.00 0.00 C ATOM 518 C LEU A 32 0.909 0.108 6.592 1.00 0.00 C ATOM 519 O LEU A 32 1.755 0.859 6.109 1.00 0.00 O ATOM 520 CB LEU A 32 -1.324 0.981 7.333 1.00 0.00 C ATOM 521 CG LEU A 32 -2.842 1.022 7.143 1.00 0.00 C ATOM 522 CD1 LEU A 32 -3.509 1.758 8.293 1.00 0.00 C ATOM 523 CD2 LEU A 32 -3.194 1.671 5.817 1.00 0.00 C ATOM 0 H LEU A 32 -1.952 -1.271 6.598 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.636 0.833 5.309 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.103 0.501 8.286 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.952 2.003 7.397 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.214 -0.003 7.135 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.588 1.775 8.137 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.286 1.248 9.230 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.133 2.780 8.338 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.277 1.692 5.698 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.807 2.690 5.796 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.751 1.098 5.002 1.00 0.00 H new ATOM 535 N GLU A 33 1.203 -0.876 7.435 1.00 0.00 N ATOM 536 CA GLU A 33 2.571 -1.142 7.860 1.00 0.00 C ATOM 537 C GLU A 33 3.423 -1.582 6.675 1.00 0.00 C ATOM 538 O GLU A 33 4.622 -1.328 6.646 1.00 0.00 O ATOM 539 CB GLU A 33 2.591 -2.214 8.952 1.00 0.00 C ATOM 540 CG GLU A 33 1.829 -1.818 10.206 1.00 0.00 C ATOM 541 CD GLU A 33 1.859 -2.897 11.271 1.00 0.00 C ATOM 542 OE1 GLU A 33 2.967 -3.248 11.730 1.00 0.00 O ATOM 543 OE2 GLU A 33 0.775 -3.390 11.648 1.00 0.00 O ATOM 0 H GLU A 33 0.508 -1.505 7.839 1.00 0.00 H new ATOM 0 HA GLU A 33 2.990 -0.221 8.266 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.165 -3.135 8.554 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.626 -2.430 9.218 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.255 -0.900 10.611 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.794 -1.600 9.944 1.00 0.00 H new ATOM 550 N ILE A 34 2.799 -2.238 5.694 1.00 0.00 N ATOM 551 CA ILE A 34 3.520 -2.687 4.508 1.00 0.00 C ATOM 552 C ILE A 34 4.079 -1.488 3.756 1.00 0.00 C ATOM 553 O ILE A 34 5.283 -1.399 3.510 1.00 0.00 O ATOM 554 CB ILE A 34 2.618 -3.500 3.572 1.00 0.00 C ATOM 555 CG1 ILE A 34 2.081 -4.720 4.316 1.00 0.00 C ATOM 556 CG2 ILE A 34 3.386 -3.921 2.324 1.00 0.00 C ATOM 557 CD1 ILE A 34 1.154 -5.564 3.484 1.00 0.00 C ATOM 0 H ILE A 34 1.805 -2.467 5.699 1.00 0.00 H new ATOM 0 HA ILE A 34 4.334 -3.331 4.840 1.00 0.00 H new ATOM 0 HB ILE A 34 1.778 -2.882 3.255 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.919 -5.333 4.648 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.554 -4.388 5.211 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.731 -4.497 1.671 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.736 -3.034 1.796 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.241 -4.533 2.612 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.809 -6.414 4.073 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.297 -4.966 3.174 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.683 -5.925 2.602 1.00 0.00 H new ATOM 569 N LEU A 35 3.196 -0.548 3.424 1.00 0.00 N ATOM 570 CA LEU A 35 3.603 0.671 2.736 1.00 0.00 C ATOM 571 C LEU A 35 4.576 1.438 3.626 1.00 0.00 C ATOM 572 O LEU A 35 5.569 2.004 3.161 1.00 0.00 O ATOM 573 CB LEU A 35 2.381 1.540 2.419 1.00 0.00 C ATOM 574 CG LEU A 35 1.322 0.888 1.525 1.00 0.00 C ATOM 575 CD1 LEU A 35 0.053 1.725 1.501 1.00 0.00 C ATOM 576 CD2 LEU A 35 1.855 0.704 0.112 1.00 0.00 C ATOM 0 H LEU A 35 2.197 -0.609 3.621 1.00 0.00 H new ATOM 0 HA LEU A 35 4.089 0.412 1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.910 1.830 3.358 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.723 2.456 1.938 1.00 0.00 H new ATOM 0 HG LEU A 35 1.085 -0.092 1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.687 1.245 0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.344 1.813 2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.279 2.718 1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.089 0.239 -0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.121 1.675 -0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.738 0.066 0.137 1.00 0.00 H new ATOM 588 N HIS A 36 4.273 1.424 4.920 1.00 0.00 N ATOM 589 CA HIS A 36 5.093 2.082 5.927 1.00 0.00 C ATOM 590 C HIS A 36 6.509 1.512 5.935 1.00 0.00 C ATOM 591 O HIS A 36 7.486 2.256 6.021 1.00 0.00 O ATOM 592 CB HIS A 36 4.443 1.921 7.305 1.00 0.00 C ATOM 593 CG HIS A 36 3.550 3.061 7.685 1.00 0.00 C ATOM 594 ND1 HIS A 36 3.976 4.373 7.714 1.00 0.00 N ATOM 595 CD2 HIS A 36 2.252 3.082 8.064 1.00 0.00 C ATOM 596 CE1 HIS A 36 2.979 5.150 8.094 1.00 0.00 C ATOM 597 NE2 HIS A 36 1.921 4.390 8.312 1.00 0.00 N ATOM 0 H HIS A 36 3.450 0.955 5.299 1.00 0.00 H new ATOM 0 HA HIS A 36 5.161 3.142 5.684 1.00 0.00 H new ATOM 0 HB2 HIS A 36 3.864 0.997 7.318 1.00 0.00 H new ATOM 0 HB3 HIS A 36 5.226 1.818 8.057 1.00 0.00 H new ATOM 0 HD2 HIS A 36 1.598 2.228 8.155 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.021 6.223 8.207 1.00 0.00 H new ATOM 0 HE2 HIS A 36 1.006 4.722 8.616 1.00 0.00 H new ATOM 606 N THR A 37 6.610 0.191 5.834 1.00 0.00 N ATOM 607 CA THR A 37 7.904 -0.481 5.818 1.00 0.00 C ATOM 608 C THR A 37 8.709 -0.043 4.603 1.00 0.00 C ATOM 609 O THR A 37 9.919 0.163 4.686 1.00 0.00 O ATOM 610 CB THR A 37 7.743 -2.014 5.802 1.00 0.00 C ATOM 611 OG1 THR A 37 6.974 -2.439 6.934 1.00 0.00 O ATOM 612 CG2 THR A 37 9.098 -2.706 5.825 1.00 0.00 C ATOM 0 H THR A 37 5.809 -0.437 5.762 1.00 0.00 H new ATOM 0 HA THR A 37 8.433 -0.200 6.729 1.00 0.00 H new ATOM 0 HB THR A 37 7.226 -2.288 4.882 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.019 -2.377 6.723 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.955 -3.787 5.813 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.674 -2.407 4.950 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.637 -2.421 6.729 1.00 0.00 H new ATOM 939 N GLU A 57 8.219 -6.035 -3.431 1.00 0.00 N ATOM 940 CA GLU A 57 7.863 -6.644 -2.151 1.00 0.00 C ATOM 941 C GLU A 57 6.538 -6.110 -1.612 1.00 0.00 C ATOM 942 O GLU A 57 5.707 -6.883 -1.137 1.00 0.00 O ATOM 943 CB GLU A 57 8.971 -6.438 -1.118 1.00 0.00 C ATOM 944 CG GLU A 57 8.618 -6.995 0.253 1.00 0.00 C ATOM 945 CD GLU A 57 9.823 -7.137 1.161 1.00 0.00 C ATOM 946 OE1 GLU A 57 10.493 -6.118 1.427 1.00 0.00 O ATOM 947 OE2 GLU A 57 10.098 -8.270 1.608 1.00 0.00 O ATOM 0 HA GLU A 57 7.744 -7.712 -2.332 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.884 -6.915 -1.473 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.182 -5.372 -1.028 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.887 -6.341 0.728 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.144 -7.969 0.133 1.00 0.00 H new ATOM 954 N VAL A 58 6.341 -4.796 -1.681 1.00 0.00 N ATOM 955 CA VAL A 58 5.106 -4.192 -1.190 1.00 0.00 C ATOM 956 C VAL A 58 3.899 -4.877 -1.818 1.00 0.00 C ATOM 957 O VAL A 58 2.922 -5.188 -1.139 1.00 0.00 O ATOM 958 CB VAL A 58 5.044 -2.681 -1.495 1.00 0.00 C ATOM 959 CG1 VAL A 58 3.732 -2.087 -1.004 1.00 0.00 C ATOM 960 CG2 VAL A 58 6.225 -1.958 -0.868 1.00 0.00 C ATOM 0 H VAL A 58 7.014 -4.134 -2.068 1.00 0.00 H new ATOM 0 HA VAL A 58 5.091 -4.325 -0.108 1.00 0.00 H new ATOM 0 HB VAL A 58 5.096 -2.550 -2.576 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.709 -1.021 -1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.899 -2.582 -1.504 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.647 -2.233 0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.162 -0.894 -1.095 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.207 -2.100 0.213 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.154 -2.361 -1.271 1.00 0.00 H new ATOM 970 N PHE A 59 3.989 -5.125 -3.118 1.00 0.00 N ATOM 971 CA PHE A 59 2.923 -5.793 -3.851 1.00 0.00 C ATOM 972 C PHE A 59 2.710 -7.207 -3.315 1.00 0.00 C ATOM 973 O PHE A 59 1.586 -7.708 -3.278 1.00 0.00 O ATOM 974 CB PHE A 59 3.269 -5.836 -5.343 1.00 0.00 C ATOM 975 CG PHE A 59 2.261 -6.566 -6.189 1.00 0.00 C ATOM 976 CD1 PHE A 59 0.903 -6.323 -6.047 1.00 0.00 C ATOM 977 CD2 PHE A 59 2.677 -7.494 -7.130 1.00 0.00 C ATOM 978 CE1 PHE A 59 -0.018 -6.994 -6.830 1.00 0.00 C ATOM 979 CE2 PHE A 59 1.761 -8.166 -7.913 1.00 0.00 C ATOM 980 CZ PHE A 59 0.410 -7.917 -7.763 1.00 0.00 C ATOM 0 H PHE A 59 4.795 -4.871 -3.689 1.00 0.00 H new ATOM 0 HA PHE A 59 1.998 -5.233 -3.716 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.365 -4.815 -5.712 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.242 -6.312 -5.465 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.562 -5.603 -5.318 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.731 -7.694 -7.252 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.073 -6.796 -6.712 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.100 -8.886 -8.643 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.309 -8.443 -8.374 1.00 0.00 H new ATOM 990 N THR A 60 3.804 -7.842 -2.910 1.00 0.00 N ATOM 991 CA THR A 60 3.764 -9.203 -2.383 1.00 0.00 C ATOM 992 C THR A 60 3.030 -9.279 -1.042 1.00 0.00 C ATOM 993 O THR A 60 2.074 -10.039 -0.895 1.00 0.00 O ATOM 994 CB THR A 60 5.190 -9.762 -2.213 1.00 0.00 C ATOM 995 OG1 THR A 60 5.822 -9.892 -3.492 1.00 0.00 O ATOM 996 CG2 THR A 60 5.177 -11.111 -1.509 1.00 0.00 C ATOM 0 H THR A 60 4.738 -7.432 -2.937 1.00 0.00 H new ATOM 0 HA THR A 60 3.216 -9.805 -3.108 1.00 0.00 H new ATOM 0 HB THR A 60 5.752 -9.061 -1.596 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.728 -10.246 -3.375 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.198 -11.477 -1.405 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.729 -11.002 -0.522 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.595 -11.822 -2.095 1.00 0.00 H new ATOM 1004 N GLU A 61 3.493 -8.502 -0.068 1.00 0.00 N ATOM 1005 CA GLU A 61 2.898 -8.489 1.264 1.00 0.00 C ATOM 1006 C GLU A 61 1.412 -8.149 1.207 1.00 0.00 C ATOM 1007 O GLU A 61 0.596 -8.793 1.866 1.00 0.00 O ATOM 1008 CB GLU A 61 3.628 -7.487 2.160 1.00 0.00 C ATOM 1009 CG GLU A 61 5.106 -7.794 2.349 1.00 0.00 C ATOM 1010 CD GLU A 61 5.350 -9.101 3.081 1.00 0.00 C ATOM 1011 OE1 GLU A 61 4.364 -9.756 3.482 1.00 0.00 O ATOM 1012 OE2 GLU A 61 6.530 -9.469 3.258 1.00 0.00 O ATOM 0 H GLU A 61 4.285 -7.868 -0.178 1.00 0.00 H new ATOM 0 HA GLU A 61 3.001 -9.490 1.684 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.526 -6.490 1.732 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.143 -7.466 3.136 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.591 -7.834 1.374 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.573 -6.980 2.904 1.00 0.00 H new ATOM 1019 N VAL A 62 1.065 -7.141 0.414 1.00 0.00 N ATOM 1020 CA VAL A 62 -0.326 -6.731 0.276 1.00 0.00 C ATOM 1021 C VAL A 62 -1.146 -7.853 -0.354 1.00 0.00 C ATOM 1022 O VAL A 62 -2.263 -8.133 0.076 1.00 0.00 O ATOM 1023 CB VAL A 62 -0.460 -5.457 -0.580 1.00 0.00 C ATOM 1024 CG1 VAL A 62 -1.922 -5.070 -0.744 1.00 0.00 C ATOM 1025 CG2 VAL A 62 0.332 -4.317 0.042 1.00 0.00 C ATOM 0 H VAL A 62 1.725 -6.596 -0.140 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.704 -6.514 1.275 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.052 -5.661 -1.570 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.994 -4.168 -1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.460 -5.881 -1.234 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.361 -4.883 0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.228 -3.423 -0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.048 -4.114 1.043 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.384 -4.595 0.103 1.00 0.00 H new ATOM 1035 N ALA A 63 -0.573 -8.503 -1.365 1.00 0.00 N ATOM 1036 CA ALA A 63 -1.244 -9.609 -2.039 1.00 0.00 C ATOM 1037 C ALA A 63 -1.528 -10.733 -1.053 1.00 0.00 C ATOM 1038 O ALA A 63 -2.619 -11.305 -1.037 1.00 0.00 O ATOM 1039 CB ALA A 63 -0.400 -10.118 -3.199 1.00 0.00 C ATOM 0 H ALA A 63 0.352 -8.283 -1.734 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.192 -9.248 -2.437 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.916 -10.943 -3.690 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.241 -9.312 -3.915 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.563 -10.465 -2.824 1.00 0.00 H new ATOM 1045 N ASN A 64 -0.536 -11.031 -0.220 1.00 0.00 N ATOM 1046 CA ASN A 64 -0.661 -12.071 0.791 1.00 0.00 C ATOM 1047 C ASN A 64 -1.777 -11.733 1.774 1.00 0.00 C ATOM 1048 O ASN A 64 -2.545 -12.604 2.186 1.00 0.00 O ATOM 1049 CB ASN A 64 0.668 -12.239 1.529 1.00 0.00 C ATOM 1050 CG ASN A 64 1.719 -12.924 0.677 1.00 0.00 C ATOM 1051 OD1 ASN A 64 1.528 -14.053 0.224 1.00 0.00 O ATOM 1052 ND2 ASN A 64 2.838 -12.245 0.457 1.00 0.00 N ATOM 0 H ASN A 64 0.370 -10.562 -0.227 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.915 -13.010 0.299 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.036 -11.260 1.838 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.505 -12.819 2.437 1.00 0.00 H new ATOM 0 HD21 ASN A 64 3.582 -12.656 -0.107 1.00 0.00 H new ATOM 0 HD22 ASN A 64 2.954 -11.312 0.852 1.00 0.00 H new ATOM 1059 N LEU A 65 -1.861 -10.459 2.137 1.00 0.00 N ATOM 1060 CA LEU A 65 -2.881 -9.982 3.062 1.00 0.00 C ATOM 1061 C LEU A 65 -4.280 -10.174 2.495 1.00 0.00 C ATOM 1062 O LEU A 65 -5.099 -10.906 3.050 1.00 0.00 O ATOM 1063 CB LEU A 65 -2.664 -8.498 3.329 1.00 0.00 C ATOM 1064 CG LEU A 65 -2.153 -8.144 4.717 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -1.861 -6.659 4.777 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -3.172 -8.537 5.776 1.00 0.00 C ATOM 0 H LEU A 65 -1.229 -9.732 1.801 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.796 -10.558 3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.957 -8.115 2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.607 -7.977 3.166 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.235 -8.697 4.917 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.494 -6.400 5.770 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.105 -6.407 4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.774 -6.100 4.570 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.790 -8.276 6.763 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.107 -8.005 5.597 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.351 -9.611 5.728 1.00 0.00 H new ATOM 1078 N PHE A 66 -4.543 -9.479 1.394 1.00 0.00 N ATOM 1079 CA PHE A 66 -5.843 -9.529 0.732 1.00 0.00 C ATOM 1080 C PHE A 66 -6.032 -10.832 -0.041 1.00 0.00 C ATOM 1081 O PHE A 66 -6.546 -10.826 -1.161 1.00 0.00 O ATOM 1082 CB PHE A 66 -5.984 -8.340 -0.222 1.00 0.00 C ATOM 1083 CG PHE A 66 -5.784 -6.991 0.423 1.00 0.00 C ATOM 1084 CD1 PHE A 66 -5.713 -6.855 1.803 1.00 0.00 C ATOM 1085 CD2 PHE A 66 -5.669 -5.856 -0.364 1.00 0.00 C ATOM 1086 CE1 PHE A 66 -5.530 -5.616 2.383 1.00 0.00 C ATOM 1087 CE2 PHE A 66 -5.486 -4.614 0.213 1.00 0.00 C ATOM 1088 CZ PHE A 66 -5.417 -4.494 1.588 1.00 0.00 C ATOM 0 H PHE A 66 -3.866 -8.868 0.937 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.612 -9.481 1.503 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -5.262 -8.452 -1.031 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.976 -8.369 -0.674 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.802 -7.730 2.430 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.723 -5.943 -1.439 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.475 -5.525 3.458 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.397 -3.737 -0.411 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.275 -3.523 2.040 1.00 0.00 H new ATOM 1098 N ARG A 67 -5.625 -11.946 0.557 1.00 0.00 N ATOM 1099 CA ARG A 67 -5.764 -13.243 -0.090 1.00 0.00 C ATOM 1100 C ARG A 67 -7.234 -13.548 -0.348 1.00 0.00 C ATOM 1101 O ARG A 67 -8.079 -13.356 0.525 1.00 0.00 O ATOM 1102 CB ARG A 67 -5.128 -14.338 0.770 1.00 0.00 C ATOM 1103 CG ARG A 67 -5.172 -15.716 0.133 1.00 0.00 C ATOM 1104 CD ARG A 67 -4.526 -16.764 1.025 1.00 0.00 C ATOM 1105 NE ARG A 67 -4.534 -18.089 0.410 1.00 0.00 N ATOM 1106 CZ ARG A 67 -3.891 -18.386 -0.718 1.00 0.00 C ATOM 1107 NH1 ARG A 67 -3.169 -17.462 -1.338 1.00 0.00 N ATOM 1108 NH2 ARG A 67 -3.963 -19.610 -1.220 1.00 0.00 N ATOM 0 H ARG A 67 -5.199 -11.976 1.483 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.244 -13.215 -1.048 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.090 -14.073 0.971 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.639 -14.375 1.732 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.207 -15.993 -0.065 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.660 -15.690 -0.829 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.499 -16.472 1.242 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.054 -16.804 1.978 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.063 -18.830 0.871 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.105 -16.520 -0.951 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.678 -17.693 -2.202 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.511 -20.326 -0.743 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.470 -19.837 -2.084 1.00 0.00 H new ATOM 1122 N GLY A 68 -7.534 -14.003 -1.560 1.00 0.00 N ATOM 1123 CA GLY A 68 -8.907 -14.302 -1.919 1.00 0.00 C ATOM 1124 C GLY A 68 -9.662 -13.057 -2.340 1.00 0.00 C ATOM 1125 O GLY A 68 -10.364 -13.059 -3.353 1.00 0.00 O ATOM 0 H GLY A 68 -6.851 -14.170 -2.299 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.920 -15.028 -2.732 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.412 -14.764 -1.071 1.00 0.00 H new ATOM 1129 N GLN A 69 -9.510 -11.984 -1.566 1.00 0.00 N ATOM 1130 CA GLN A 69 -10.168 -10.720 -1.864 1.00 0.00 C ATOM 1131 C GLN A 69 -9.345 -9.918 -2.868 1.00 0.00 C ATOM 1132 O GLN A 69 -9.057 -8.740 -2.650 1.00 0.00 O ATOM 1133 CB GLN A 69 -10.370 -9.903 -0.583 1.00 0.00 C ATOM 1134 CG GLN A 69 -11.341 -10.524 0.415 1.00 0.00 C ATOM 1135 CD GLN A 69 -10.827 -11.807 1.045 1.00 0.00 C ATOM 1136 OE1 GLN A 69 -10.750 -12.848 0.394 1.00 0.00 O ATOM 1137 NE2 GLN A 69 -10.471 -11.737 2.323 1.00 0.00 N ATOM 0 H GLN A 69 -8.933 -11.968 -0.725 1.00 0.00 H new ATOM 0 HA GLN A 69 -11.144 -10.936 -2.298 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -9.404 -9.769 -0.096 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.731 -8.911 -0.853 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -11.551 -9.801 1.203 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -12.285 -10.729 -0.089 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -10.550 -10.854 2.827 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.118 -12.567 2.800 1.00 0.00 H new ATOM 1146 N GLU A 70 -8.953 -10.568 -3.960 1.00 0.00 N ATOM 1147 CA GLU A 70 -8.143 -9.924 -4.991 1.00 0.00 C ATOM 1148 C GLU A 70 -8.890 -8.789 -5.695 1.00 0.00 C ATOM 1149 O GLU A 70 -8.378 -8.214 -6.656 1.00 0.00 O ATOM 1150 CB GLU A 70 -7.683 -10.957 -6.020 1.00 0.00 C ATOM 1151 CG GLU A 70 -6.771 -12.021 -5.435 1.00 0.00 C ATOM 1152 CD GLU A 70 -6.428 -13.110 -6.432 1.00 0.00 C ATOM 1153 OE1 GLU A 70 -7.360 -13.782 -6.920 1.00 0.00 O ATOM 1154 OE2 GLU A 70 -5.227 -13.290 -6.725 1.00 0.00 O ATOM 0 H GLU A 70 -9.183 -11.542 -4.155 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.278 -9.487 -4.493 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.558 -11.438 -6.458 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.162 -10.446 -6.830 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.851 -11.553 -5.084 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.253 -12.469 -4.566 1.00 0.00 H new ATOM 1161 N ASP A 71 -10.086 -8.451 -5.214 1.00 0.00 N ATOM 1162 CA ASP A 71 -10.856 -7.368 -5.813 1.00 0.00 C ATOM 1163 C ASP A 71 -10.143 -6.041 -5.580 1.00 0.00 C ATOM 1164 O ASP A 71 -9.979 -5.238 -6.500 1.00 0.00 O ATOM 1165 CB ASP A 71 -12.281 -7.337 -5.252 1.00 0.00 C ATOM 1166 CG ASP A 71 -12.325 -7.293 -3.737 1.00 0.00 C ATOM 1167 OD1 ASP A 71 -11.911 -6.270 -3.159 1.00 0.00 O ATOM 1168 OD2 ASP A 71 -12.777 -8.286 -3.129 1.00 0.00 O ATOM 0 H ASP A 71 -10.536 -8.907 -4.420 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.932 -7.539 -6.887 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.802 -6.466 -5.650 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -12.821 -8.218 -5.599 1.00 0.00 H new ATOM 1173 N LEU A 72 -9.689 -5.837 -4.348 1.00 0.00 N ATOM 1174 CA LEU A 72 -8.953 -4.634 -3.985 1.00 0.00 C ATOM 1175 C LEU A 72 -7.554 -4.685 -4.587 1.00 0.00 C ATOM 1176 O LEU A 72 -6.988 -3.664 -4.983 1.00 0.00 O ATOM 1177 CB LEU A 72 -8.852 -4.512 -2.462 1.00 0.00 C ATOM 1178 CG LEU A 72 -10.182 -4.324 -1.728 1.00 0.00 C ATOM 1179 CD1 LEU A 72 -10.002 -4.574 -0.239 1.00 0.00 C ATOM 1180 CD2 LEU A 72 -10.736 -2.925 -1.971 1.00 0.00 C ATOM 0 H LEU A 72 -9.820 -6.495 -3.580 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.485 -3.766 -4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.366 -5.407 -2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.203 -3.669 -2.224 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.898 -5.048 -2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.956 -4.437 0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.649 -5.593 -0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.272 -3.871 0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.682 -2.811 -1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.024 -2.184 -1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.899 -2.778 -3.039 1.00 0.00 H new ATOM 1192 N LEU A 73 -7.006 -5.896 -4.643 1.00 0.00 N ATOM 1193 CA LEU A 73 -5.683 -6.137 -5.173 1.00 0.00 C ATOM 1194 C LEU A 73 -5.520 -5.514 -6.552 1.00 0.00 C ATOM 1195 O LEU A 73 -4.499 -4.896 -6.852 1.00 0.00 O ATOM 1196 CB LEU A 73 -5.471 -7.642 -5.258 1.00 0.00 C ATOM 1197 CG LEU A 73 -4.161 -8.164 -4.668 1.00 0.00 C ATOM 1198 CD1 LEU A 73 -2.974 -7.359 -5.174 1.00 0.00 C ATOM 1199 CD2 LEU A 73 -4.229 -8.131 -3.152 1.00 0.00 C ATOM 0 H LEU A 73 -7.478 -6.739 -4.317 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.943 -5.681 -4.515 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.299 -8.136 -4.749 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.519 -7.938 -6.306 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.021 -9.195 -4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.055 -7.752 -4.738 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.921 -7.433 -6.260 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.094 -6.314 -4.887 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.292 -8.504 -2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.391 -7.106 -2.817 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.052 -8.759 -2.811 1.00 0.00 H new ATOM 1211 N SER A 74 -6.536 -5.690 -7.385 1.00 0.00 N ATOM 1212 CA SER A 74 -6.523 -5.155 -8.738 1.00 0.00 C ATOM 1213 C SER A 74 -6.285 -3.650 -8.726 1.00 0.00 C ATOM 1214 O SER A 74 -5.537 -3.123 -9.550 1.00 0.00 O ATOM 1215 CB SER A 74 -7.846 -5.469 -9.432 1.00 0.00 C ATOM 1216 OG SER A 74 -7.839 -5.016 -10.775 1.00 0.00 O ATOM 0 H SER A 74 -7.385 -6.203 -7.145 1.00 0.00 H new ATOM 0 HA SER A 74 -5.707 -5.625 -9.286 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.026 -6.544 -9.409 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.665 -4.997 -8.890 1.00 0.00 H new ATOM 0 HG SER A 74 -8.697 -5.231 -11.197 1.00 0.00 H new ATOM 1222 N GLU A 75 -6.921 -2.964 -7.782 1.00 0.00 N ATOM 1223 CA GLU A 75 -6.777 -1.519 -7.660 1.00 0.00 C ATOM 1224 C GLU A 75 -5.339 -1.148 -7.304 1.00 0.00 C ATOM 1225 O GLU A 75 -4.759 -0.236 -7.892 1.00 0.00 O ATOM 1226 CB GLU A 75 -7.744 -0.981 -6.604 1.00 0.00 C ATOM 1227 CG GLU A 75 -9.207 -1.214 -6.951 1.00 0.00 C ATOM 1228 CD GLU A 75 -10.157 -0.633 -5.921 1.00 0.00 C ATOM 1229 OE1 GLU A 75 -9.676 -0.030 -4.940 1.00 0.00 O ATOM 1230 OE2 GLU A 75 -11.385 -0.780 -6.098 1.00 0.00 O ATOM 0 H GLU A 75 -7.541 -3.386 -7.091 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.018 -1.065 -8.621 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.525 -1.454 -5.647 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.574 0.088 -6.477 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.419 -0.772 -7.924 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.388 -2.285 -7.041 1.00 0.00 H new ATOM 1237 N PHE A 76 -4.772 -1.867 -6.341 1.00 0.00 N ATOM 1238 CA PHE A 76 -3.400 -1.625 -5.905 1.00 0.00 C ATOM 1239 C PHE A 76 -2.425 -1.763 -7.073 1.00 0.00 C ATOM 1240 O PHE A 76 -1.513 -0.952 -7.235 1.00 0.00 O ATOM 1241 CB PHE A 76 -3.029 -2.611 -4.793 1.00 0.00 C ATOM 1242 CG PHE A 76 -1.661 -2.404 -4.201 1.00 0.00 C ATOM 1243 CD1 PHE A 76 -1.179 -1.129 -3.947 1.00 0.00 C ATOM 1244 CD2 PHE A 76 -0.859 -3.491 -3.893 1.00 0.00 C ATOM 1245 CE1 PHE A 76 0.075 -0.944 -3.397 1.00 0.00 C ATOM 1246 CE2 PHE A 76 0.396 -3.313 -3.343 1.00 0.00 C ATOM 1247 CZ PHE A 76 0.863 -2.037 -3.094 1.00 0.00 C ATOM 0 H PHE A 76 -5.242 -2.625 -5.846 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.333 -0.606 -5.523 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.770 -2.536 -3.997 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.089 -3.625 -5.190 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.791 -0.271 -4.182 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.220 -4.491 -4.085 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.439 0.054 -3.204 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.010 -4.170 -3.108 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.843 -1.894 -2.663 1.00 0.00 H new ATOM 1257 N GLY A 77 -2.626 -2.804 -7.874 1.00 0.00 N ATOM 1258 CA GLY A 77 -1.763 -3.054 -9.017 1.00 0.00 C ATOM 1259 C GLY A 77 -1.888 -2.009 -10.112 1.00 0.00 C ATOM 1260 O GLY A 77 -0.971 -1.845 -10.916 1.00 0.00 O ATOM 0 H GLY A 77 -3.376 -3.484 -7.752 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.728 -3.092 -8.679 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.999 -4.034 -9.432 1.00 0.00 H new ATOM 1423 N ILE B 2 2.889 4.698 -4.441 1.00 0.00 N ATOM 1424 CA ILE B 2 2.928 4.292 -3.040 1.00 0.00 C ATOM 1425 C ILE B 2 2.982 5.502 -2.112 1.00 0.00 C ATOM 1426 O ILE B 2 2.487 5.455 -0.988 1.00 0.00 O ATOM 1427 CB ILE B 2 4.142 3.381 -2.756 1.00 0.00 C ATOM 1428 CG1 ILE B 2 4.132 2.170 -3.696 1.00 0.00 C ATOM 1429 CG2 ILE B 2 4.148 2.934 -1.299 1.00 0.00 C ATOM 1430 CD1 ILE B 2 2.874 1.327 -3.603 1.00 0.00 C ATOM 0 HA ILE B 2 2.010 3.736 -2.846 1.00 0.00 H new ATOM 0 HB ILE B 2 5.053 3.951 -2.940 1.00 0.00 H new ATOM 0 HG12 ILE B 2 4.248 2.519 -4.722 1.00 0.00 H new ATOM 0 HG13 ILE B 2 4.995 1.543 -3.473 1.00 0.00 H new ATOM 0 HG21 ILE B 2 5.011 2.293 -1.119 1.00 0.00 H new ATOM 0 HG22 ILE B 2 4.204 3.808 -0.650 1.00 0.00 H new ATOM 0 HG23 ILE B 2 3.234 2.381 -1.084 1.00 0.00 H new ATOM 0 HD11 ILE B 2 2.944 0.491 -4.298 1.00 0.00 H new ATOM 0 HD12 ILE B 2 2.765 0.946 -2.587 1.00 0.00 H new ATOM 0 HD13 ILE B 2 2.007 1.938 -3.856 1.00 0.00 H new ATOM 1442 N GLN B 3 3.598 6.582 -2.584 1.00 0.00 N ATOM 1443 CA GLN B 3 3.723 7.797 -1.787 1.00 0.00 C ATOM 1444 C GLN B 3 2.350 8.359 -1.434 1.00 0.00 C ATOM 1445 O GLN B 3 2.084 8.684 -0.277 1.00 0.00 O ATOM 1446 CB GLN B 3 4.553 8.841 -2.544 1.00 0.00 C ATOM 1447 CG GLN B 3 4.913 10.067 -1.714 1.00 0.00 C ATOM 1448 CD GLN B 3 3.795 11.094 -1.624 1.00 0.00 C ATOM 1449 OE1 GLN B 3 3.880 12.047 -0.848 1.00 0.00 O ATOM 1450 NE2 GLN B 3 2.753 10.923 -2.430 1.00 0.00 N ATOM 0 H GLN B 3 4.017 6.640 -3.512 1.00 0.00 H new ATOM 0 HA GLN B 3 4.235 7.548 -0.857 1.00 0.00 H new ATOM 0 HB2 GLN B 3 5.471 8.373 -2.899 1.00 0.00 H new ATOM 0 HB3 GLN B 3 3.998 9.162 -3.425 1.00 0.00 H new ATOM 0 HG2 GLN B 3 5.182 9.747 -0.707 1.00 0.00 H new ATOM 0 HG3 GLN B 3 5.795 10.540 -2.145 1.00 0.00 H new ATOM 0 HE21 GLN B 3 2.721 10.120 -3.058 1.00 0.00 H new ATOM 0 HE22 GLN B 3 1.985 11.595 -2.421 1.00 0.00 H new ATOM 1459 N MET B 4 1.482 8.476 -2.436 1.00 0.00 N ATOM 1460 CA MET B 4 0.138 9.003 -2.223 1.00 0.00 C ATOM 1461 C MET B 4 -0.741 7.991 -1.494 1.00 0.00 C ATOM 1462 O MET B 4 -1.518 8.357 -0.612 1.00 0.00 O ATOM 1463 CB MET B 4 -0.508 9.397 -3.556 1.00 0.00 C ATOM 1464 CG MET B 4 -0.713 8.230 -4.509 1.00 0.00 C ATOM 1465 SD MET B 4 -1.488 8.727 -6.061 1.00 0.00 S ATOM 1466 CE MET B 4 -0.261 9.861 -6.707 1.00 0.00 C ATOM 0 H MET B 4 1.685 8.214 -3.401 1.00 0.00 H new ATOM 0 HA MET B 4 0.227 9.893 -1.599 1.00 0.00 H new ATOM 0 HB2 MET B 4 -1.472 9.865 -3.357 1.00 0.00 H new ATOM 0 HB3 MET B 4 0.116 10.146 -4.043 1.00 0.00 H new ATOM 0 HG2 MET B 4 0.250 7.766 -4.721 1.00 0.00 H new ATOM 0 HG3 MET B 4 -1.331 7.475 -4.024 1.00 0.00 H new ATOM 0 HE1 MET B 4 -0.403 9.977 -7.781 1.00 0.00 H new ATOM 0 HE2 MET B 4 -0.369 10.830 -6.220 1.00 0.00 H new ATOM 0 HE3 MET B 4 0.737 9.467 -6.514 1.00 0.00 H new ATOM 1476 N LEU B 5 -0.618 6.720 -1.869 1.00 0.00 N ATOM 1477 CA LEU B 5 -1.410 5.662 -1.249 1.00 0.00 C ATOM 1478 C LEU B 5 -1.123 5.568 0.246 1.00 0.00 C ATOM 1479 O LEU B 5 -2.041 5.575 1.065 1.00 0.00 O ATOM 1480 CB LEU B 5 -1.129 4.315 -1.925 1.00 0.00 C ATOM 1481 CG LEU B 5 -2.021 3.162 -1.464 1.00 0.00 C ATOM 1482 CD1 LEU B 5 -3.489 3.536 -1.599 1.00 0.00 C ATOM 1483 CD2 LEU B 5 -1.719 1.906 -2.264 1.00 0.00 C ATOM 0 H LEU B 5 0.020 6.399 -2.597 1.00 0.00 H new ATOM 0 HA LEU B 5 -2.463 5.910 -1.381 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.244 4.435 -3.002 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -0.089 4.045 -1.744 1.00 0.00 H new ATOM 0 HG LEU B 5 -1.811 2.963 -0.413 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -4.109 2.703 -1.266 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -3.699 4.412 -0.986 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -3.713 3.761 -2.642 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -2.362 1.094 -1.924 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -1.902 2.095 -3.322 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -0.675 1.626 -2.121 1.00 0.00 H new ATOM 1495 N LEU B 6 0.157 5.495 0.596 1.00 0.00 N ATOM 1496 CA LEU B 6 0.565 5.417 1.993 1.00 0.00 C ATOM 1497 C LEU B 6 0.151 6.683 2.732 1.00 0.00 C ATOM 1498 O LEU B 6 -0.322 6.628 3.867 1.00 0.00 O ATOM 1499 CB LEU B 6 2.078 5.209 2.091 1.00 0.00 C ATOM 1500 CG LEU B 6 2.657 5.228 3.508 1.00 0.00 C ATOM 1501 CD1 LEU B 6 1.942 4.225 4.401 1.00 0.00 C ATOM 1502 CD2 LEU B 6 4.148 4.934 3.463 1.00 0.00 C ATOM 0 H LEU B 6 0.930 5.488 -0.070 1.00 0.00 H new ATOM 0 HA LEU B 6 0.068 4.566 2.458 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.326 4.253 1.629 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.572 5.984 1.505 1.00 0.00 H new ATOM 0 HG LEU B 6 2.505 6.221 3.931 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.372 4.258 5.402 1.00 0.00 H new ATOM 0 HD12 LEU B 6 0.882 4.475 4.453 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.059 3.223 3.989 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.553 4.949 4.475 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.312 3.951 3.022 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.650 5.691 2.860 1.00 0.00 H new ATOM 1514 N GLU B 7 0.319 7.821 2.067 1.00 0.00 N ATOM 1515 CA GLU B 7 -0.051 9.108 2.639 1.00 0.00 C ATOM 1516 C GLU B 7 -1.544 9.132 2.946 1.00 0.00 C ATOM 1517 O GLU B 7 -1.982 9.742 3.923 1.00 0.00 O ATOM 1518 CB GLU B 7 0.307 10.238 1.668 1.00 0.00 C ATOM 1519 CG GLU B 7 -0.028 11.627 2.190 1.00 0.00 C ATOM 1520 CD GLU B 7 0.779 12.011 3.418 1.00 0.00 C ATOM 1521 OE1 GLU B 7 1.638 11.210 3.842 1.00 0.00 O ATOM 1522 OE2 GLU B 7 0.553 13.117 3.952 1.00 0.00 O ATOM 0 H GLU B 7 0.711 7.877 1.127 1.00 0.00 H new ATOM 0 HA GLU B 7 0.502 9.255 3.567 1.00 0.00 H new ATOM 0 HB2 GLU B 7 1.373 10.191 1.448 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -0.220 10.077 0.728 1.00 0.00 H new ATOM 0 HG2 GLU B 7 0.151 12.358 1.402 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -1.090 11.672 2.431 1.00 0.00 H new ATOM 1529 N ALA B 8 -2.316 8.456 2.100 1.00 0.00 N ATOM 1530 CA ALA B 8 -3.762 8.380 2.263 1.00 0.00 C ATOM 1531 C ALA B 8 -4.132 7.822 3.631 1.00 0.00 C ATOM 1532 O ALA B 8 -5.048 8.317 4.288 1.00 0.00 O ATOM 1533 CB ALA B 8 -4.368 7.521 1.162 1.00 0.00 C ATOM 0 H ALA B 8 -1.960 7.950 1.289 1.00 0.00 H new ATOM 0 HA ALA B 8 -4.166 9.390 2.190 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -5.449 7.471 1.293 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -4.140 7.960 0.191 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -3.949 6.516 1.213 1.00 0.00 H new ATOM 1539 N ALA B 9 -3.413 6.789 4.054 1.00 0.00 N ATOM 1540 CA ALA B 9 -3.662 6.159 5.344 1.00 0.00 C ATOM 1541 C ALA B 9 -3.531 7.167 6.480 1.00 0.00 C ATOM 1542 O ALA B 9 -4.353 7.193 7.395 1.00 0.00 O ATOM 1543 CB ALA B 9 -2.704 4.998 5.554 1.00 0.00 C ATOM 0 H ALA B 9 -2.651 6.369 3.521 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.684 5.779 5.346 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -2.900 4.535 6.521 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -2.847 4.261 4.764 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -1.678 5.364 5.528 1.00 0.00 H new ATOM 1549 N ASP B 10 -2.492 7.993 6.412 1.00 0.00 N ATOM 1550 CA ASP B 10 -2.251 9.006 7.433 1.00 0.00 C ATOM 1551 C ASP B 10 -3.417 9.987 7.505 1.00 0.00 C ATOM 1552 O ASP B 10 -3.862 10.362 8.590 1.00 0.00 O ATOM 1553 CB ASP B 10 -0.949 9.756 7.133 1.00 0.00 C ATOM 1554 CG ASP B 10 -0.593 10.770 8.206 1.00 0.00 C ATOM 1555 OD1 ASP B 10 -1.326 10.855 9.214 1.00 0.00 O ATOM 1556 OD2 ASP B 10 0.425 11.474 8.039 1.00 0.00 O ATOM 0 H ASP B 10 -1.803 7.981 5.660 1.00 0.00 H new ATOM 0 HA ASP B 10 -2.160 8.508 8.398 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.135 9.037 7.035 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -1.042 10.266 6.174 1.00 0.00 H new ATOM 1561 N TYR B 11 -3.908 10.395 6.339 1.00 0.00 N ATOM 1562 CA TYR B 11 -5.023 11.332 6.257 1.00 0.00 C ATOM 1563 C TYR B 11 -6.276 10.757 6.913 1.00 0.00 C ATOM 1564 O TYR B 11 -6.856 11.370 7.810 1.00 0.00 O ATOM 1565 CB TYR B 11 -5.313 11.669 4.795 1.00 0.00 C ATOM 1566 CG TYR B 11 -6.548 12.516 4.597 1.00 0.00 C ATOM 1567 CD1 TYR B 11 -6.659 13.773 5.182 1.00 0.00 C ATOM 1568 CD2 TYR B 11 -7.604 12.057 3.822 1.00 0.00 C ATOM 1569 CE1 TYR B 11 -7.789 14.545 4.999 1.00 0.00 C ATOM 1570 CE2 TYR B 11 -8.736 12.824 3.635 1.00 0.00 C ATOM 1571 CZ TYR B 11 -8.826 14.067 4.225 1.00 0.00 C ATOM 1572 OH TYR B 11 -9.954 14.832 4.040 1.00 0.00 O ATOM 0 H TYR B 11 -3.549 10.090 5.434 1.00 0.00 H new ATOM 0 HA TYR B 11 -4.743 12.239 6.792 1.00 0.00 H new ATOM 0 HB2 TYR B 11 -4.454 12.192 4.375 1.00 0.00 H new ATOM 0 HB3 TYR B 11 -5.426 10.741 4.234 1.00 0.00 H new ATOM 0 HD1 TYR B 11 -5.849 14.151 5.788 1.00 0.00 H new ATOM 0 HD2 TYR B 11 -7.539 11.084 3.358 1.00 0.00 H new ATOM 0 HE1 TYR B 11 -7.861 15.519 5.460 1.00 0.00 H new ATOM 0 HE2 TYR B 11 -9.549 12.452 3.029 1.00 0.00 H new ATOM 0 HH TYR B 11 -10.587 14.349 3.468 1.00 0.00 H new ATOM 1582 N LEU B 12 -6.686 9.576 6.461 1.00 0.00 N ATOM 1583 CA LEU B 12 -7.868 8.916 7.002 1.00 0.00 C ATOM 1584 C LEU B 12 -7.701 8.629 8.491 1.00 0.00 C ATOM 1585 O LEU B 12 -8.661 8.699 9.258 1.00 0.00 O ATOM 1586 CB LEU B 12 -8.149 7.618 6.239 1.00 0.00 C ATOM 1587 CG LEU B 12 -8.614 7.803 4.791 1.00 0.00 C ATOM 1588 CD1 LEU B 12 -8.740 6.456 4.091 1.00 0.00 C ATOM 1589 CD2 LEU B 12 -9.939 8.550 4.753 1.00 0.00 C ATOM 0 H LEU B 12 -6.216 9.056 5.720 1.00 0.00 H new ATOM 0 HA LEU B 12 -8.717 9.588 6.879 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -7.243 7.012 6.239 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -8.910 7.055 6.779 1.00 0.00 H new ATOM 0 HG LEU B 12 -7.867 8.394 4.261 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -9.071 6.609 3.064 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -7.772 5.955 4.089 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -9.467 5.838 4.618 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -10.257 8.674 3.718 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -10.693 7.982 5.299 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -9.818 9.530 5.215 1.00 0.00 H new ATOM 1601 N GLU B 13 -6.474 8.308 8.891 1.00 0.00 N ATOM 1602 CA GLU B 13 -6.173 8.012 10.288 1.00 0.00 C ATOM 1603 C GLU B 13 -6.557 9.183 11.190 1.00 0.00 C ATOM 1604 O GLU B 13 -5.965 10.270 11.030 1.00 0.00 O ATOM 1605 CB GLU B 13 -4.683 7.697 10.450 1.00 0.00 C ATOM 1606 CG GLU B 13 -4.281 7.334 11.872 1.00 0.00 C ATOM 1607 CD GLU B 13 -4.916 6.043 12.354 1.00 0.00 C ATOM 1608 OE1 GLU B 13 -5.629 5.393 11.559 1.00 0.00 O ATOM 1609 OE2 GLU B 13 -4.695 5.677 13.527 1.00 0.00 O ATOM 1610 OXT GLU B 13 -7.449 9.002 12.046 1.00 0.00 O ATOM 0 H GLU B 13 -5.670 8.246 8.266 1.00 0.00 H new ATOM 0 HA GLU B 13 -6.759 7.142 10.585 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -4.422 6.872 9.787 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -4.102 8.561 10.128 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -3.196 7.241 11.925 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -4.565 8.145 12.543 1.00 0.00 H new