USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=10 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 33:sc= -1.11! USER MOD Single : A 15 ASN : amide:sc=-0.00419 K(o=-0.0042,f=-0.61) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -167:sc= -0.262 (180deg=-0.485) 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 81:sc= 1.25 USER MOD Single : A 36 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.13) USER MOD Single : A 37 THR OG1 : rot 61:sc= 1.26 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -4.98! K(o=-5!,f=-1.6) USER MOD Single : A 69 GLN : amide:sc= 0.398 X(o=0.4,f=0.061) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : B 3 GLN : amide:sc= -4.34! C(o=-4.3!,f=-5.7!) 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 -6.405 7.580 -4.188 1.00 0.00 N ATOM 132 CA ALA A 10 -5.760 6.677 -3.246 1.00 0.00 C ATOM 133 C ALA A 10 -6.627 6.470 -2.009 1.00 0.00 C ATOM 134 O ALA A 10 -6.745 5.352 -1.501 1.00 0.00 O ATOM 135 CB ALA A 10 -4.395 7.219 -2.852 1.00 0.00 C ATOM 0 HA ALA A 10 -5.629 5.710 -3.732 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.922 6.535 -2.147 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.771 7.314 -3.741 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.513 8.197 -2.386 1.00 0.00 H new ATOM 141 N ILE A 11 -7.233 7.555 -1.528 1.00 0.00 N ATOM 142 CA ILE A 11 -8.090 7.492 -0.350 1.00 0.00 C ATOM 143 C ILE A 11 -9.123 6.386 -0.498 1.00 0.00 C ATOM 144 O ILE A 11 -9.376 5.630 0.434 1.00 0.00 O ATOM 145 CB ILE A 11 -8.845 8.812 -0.108 1.00 0.00 C ATOM 146 CG1 ILE A 11 -7.894 10.013 -0.142 1.00 0.00 C ATOM 147 CG2 ILE A 11 -9.578 8.746 1.221 1.00 0.00 C ATOM 148 CD1 ILE A 11 -6.826 9.992 0.930 1.00 0.00 C ATOM 0 H ILE A 11 -7.145 8.485 -1.937 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.432 7.296 0.496 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.570 8.947 -0.911 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.411 10.052 -1.119 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.478 10.927 -0.039 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.111 9.682 1.389 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.290 7.921 1.203 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.860 8.588 2.025 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.197 10.877 0.834 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.297 9.986 1.913 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.214 9.097 0.816 1.00 0.00 H new ATOM 160 N SER A 12 -9.723 6.312 -1.679 1.00 0.00 N ATOM 161 CA SER A 12 -10.743 5.311 -1.969 1.00 0.00 C ATOM 162 C SER A 12 -10.242 3.900 -1.674 1.00 0.00 C ATOM 163 O SER A 12 -10.977 3.075 -1.132 1.00 0.00 O ATOM 164 CB SER A 12 -11.177 5.407 -3.432 1.00 0.00 C ATOM 165 OG SER A 12 -12.176 4.447 -3.733 1.00 0.00 O ATOM 0 H SER A 12 -9.519 6.938 -2.458 1.00 0.00 H new ATOM 0 HA SER A 12 -11.596 5.512 -1.321 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.557 6.408 -3.637 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.315 5.254 -4.081 1.00 0.00 H new ATOM 0 HG SER A 12 -12.437 4.531 -4.674 1.00 0.00 H new ATOM 171 N TYR A 13 -8.994 3.621 -2.041 1.00 0.00 N ATOM 172 CA TYR A 13 -8.418 2.301 -1.818 1.00 0.00 C ATOM 173 C TYR A 13 -8.274 2.010 -0.329 1.00 0.00 C ATOM 174 O TYR A 13 -8.795 1.015 0.172 1.00 0.00 O ATOM 175 CB TYR A 13 -7.053 2.193 -2.496 1.00 0.00 C ATOM 176 CG TYR A 13 -6.479 0.795 -2.468 1.00 0.00 C ATOM 177 CD1 TYR A 13 -7.200 -0.278 -2.975 1.00 0.00 C ATOM 178 CD2 TYR A 13 -5.220 0.547 -1.937 1.00 0.00 C ATOM 179 CE1 TYR A 13 -6.684 -1.559 -2.953 1.00 0.00 C ATOM 180 CE2 TYR A 13 -4.696 -0.732 -1.911 1.00 0.00 C ATOM 181 CZ TYR A 13 -5.432 -1.780 -2.420 1.00 0.00 C ATOM 182 OH TYR A 13 -4.916 -3.056 -2.395 1.00 0.00 O ATOM 0 H TYR A 13 -8.367 4.288 -2.491 1.00 0.00 H new ATOM 0 HA TYR A 13 -9.095 1.565 -2.252 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -7.143 2.520 -3.532 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.357 2.874 -2.006 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -8.181 -0.108 -3.394 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.641 1.367 -1.538 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -7.258 -2.383 -3.351 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.715 -0.909 -1.494 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.232 -3.552 -3.179 1.00 0.00 H new ATOM 192 N VAL A 14 -7.559 2.885 0.370 1.00 0.00 N ATOM 193 CA VAL A 14 -7.338 2.724 1.804 1.00 0.00 C ATOM 194 C VAL A 14 -8.657 2.671 2.566 1.00 0.00 C ATOM 195 O VAL A 14 -8.838 1.851 3.467 1.00 0.00 O ATOM 196 CB VAL A 14 -6.487 3.878 2.369 1.00 0.00 C ATOM 197 CG1 VAL A 14 -6.210 3.664 3.849 1.00 0.00 C ATOM 198 CG2 VAL A 14 -5.188 4.014 1.589 1.00 0.00 C ATOM 0 H VAL A 14 -7.122 3.714 -0.033 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.807 1.781 1.936 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.048 4.806 2.260 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.608 4.489 4.230 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.153 3.622 4.393 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.670 2.727 3.986 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.600 4.834 2.002 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.620 3.087 1.663 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.412 4.219 0.542 1.00 0.00 H new ATOM 208 N ASN A 15 -9.569 3.559 2.197 1.00 0.00 N ATOM 209 CA ASN A 15 -10.875 3.641 2.836 1.00 0.00 C ATOM 210 C ASN A 15 -11.614 2.320 2.728 1.00 0.00 C ATOM 211 O ASN A 15 -12.036 1.746 3.730 1.00 0.00 O ATOM 212 CB ASN A 15 -11.696 4.733 2.175 1.00 0.00 C ATOM 213 CG ASN A 15 -12.848 5.201 3.039 1.00 0.00 C ATOM 214 OD1 ASN A 15 -13.774 4.444 3.331 1.00 0.00 O ATOM 215 ND2 ASN A 15 -12.784 6.456 3.462 1.00 0.00 N ATOM 0 H ASN A 15 -9.426 4.239 1.451 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.729 3.872 3.891 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.050 5.581 1.948 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -12.085 4.365 1.226 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -13.523 6.832 4.056 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -11.996 7.045 3.193 1.00 0.00 H new ATOM 222 N LYS A 16 -11.764 1.850 1.498 1.00 0.00 N ATOM 223 CA LYS A 16 -12.453 0.591 1.240 1.00 0.00 C ATOM 224 C LYS A 16 -11.840 -0.528 2.071 1.00 0.00 C ATOM 225 O LYS A 16 -12.548 -1.385 2.592 1.00 0.00 O ATOM 226 CB LYS A 16 -12.389 0.230 -0.247 1.00 0.00 C ATOM 227 CG LYS A 16 -13.157 -1.035 -0.598 1.00 0.00 C ATOM 228 CD LYS A 16 -13.016 -1.385 -2.070 1.00 0.00 C ATOM 229 CE LYS A 16 -13.784 -2.651 -2.416 1.00 0.00 C ATOM 230 NZ LYS A 16 -13.606 -3.037 -3.842 1.00 0.00 N ATOM 0 H LYS A 16 -11.418 2.321 0.662 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.498 0.713 1.523 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.785 1.060 -0.832 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.346 0.105 -0.538 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.793 -1.863 0.010 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -14.211 -0.901 -0.355 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.382 -0.558 -2.679 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.962 -1.519 -2.314 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.448 -3.466 -1.775 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -14.844 -2.500 -2.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -14.145 -3.905 -4.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.950 -2.270 -4.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.598 -3.206 -4.033 1.00 0.00 H new ATOM 244 N ILE A 17 -10.518 -0.506 2.197 1.00 0.00 N ATOM 245 CA ILE A 17 -9.808 -1.512 2.977 1.00 0.00 C ATOM 246 C ILE A 17 -10.254 -1.472 4.436 1.00 0.00 C ATOM 247 O ILE A 17 -10.477 -2.511 5.057 1.00 0.00 O ATOM 248 CB ILE A 17 -8.283 -1.305 2.899 1.00 0.00 C ATOM 249 CG1 ILE A 17 -7.793 -1.531 1.465 1.00 0.00 C ATOM 250 CG2 ILE A 17 -7.565 -2.233 3.869 1.00 0.00 C ATOM 251 CD1 ILE A 17 -6.314 -1.265 1.274 1.00 0.00 C ATOM 0 H ILE A 17 -9.916 0.198 1.769 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.049 -2.487 2.553 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.055 -0.278 3.185 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -8.008 -2.560 1.176 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.358 -0.886 0.792 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.489 -2.071 3.799 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.897 -2.024 4.886 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.793 -3.269 3.618 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.043 -1.447 0.234 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.095 -0.229 1.530 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.739 -1.928 1.920 1.00 0.00 H new ATOM 263 N LYS A 18 -10.385 -0.262 4.971 1.00 0.00 N ATOM 264 CA LYS A 18 -10.809 -0.073 6.353 1.00 0.00 C ATOM 265 C LYS A 18 -12.237 -0.563 6.551 1.00 0.00 C ATOM 266 O LYS A 18 -12.510 -1.408 7.404 1.00 0.00 O ATOM 267 CB LYS A 18 -10.731 1.408 6.721 1.00 0.00 C ATOM 268 CG LYS A 18 -11.093 1.698 8.172 1.00 0.00 C ATOM 269 CD LYS A 18 -11.113 3.192 8.459 1.00 0.00 C ATOM 270 CE LYS A 18 -9.743 3.823 8.264 1.00 0.00 C ATOM 271 NZ LYS A 18 -9.765 5.287 8.529 1.00 0.00 N ATOM 0 H LYS A 18 -10.203 0.605 4.466 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.145 -0.650 6.996 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.720 1.768 6.529 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.399 1.971 6.069 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.071 1.271 8.395 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.374 1.210 8.831 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.834 3.679 7.802 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.449 3.361 9.482 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.024 3.344 8.929 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.402 3.643 7.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.885 5.716 8.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.578 5.716 8.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.848 5.453 9.552 1.00 0.00 H new ATOM 285 N THR A 19 -13.140 -0.008 5.756 1.00 0.00 N ATOM 286 CA THR A 19 -14.555 -0.354 5.823 1.00 0.00 C ATOM 287 C THR A 19 -14.789 -1.839 5.559 1.00 0.00 C ATOM 288 O THR A 19 -15.726 -2.432 6.093 1.00 0.00 O ATOM 289 CB THR A 19 -15.383 0.476 4.819 1.00 0.00 C ATOM 290 OG1 THR A 19 -16.782 0.315 5.084 1.00 0.00 O ATOM 291 CG2 THR A 19 -15.092 0.051 3.387 1.00 0.00 C ATOM 0 H THR A 19 -12.916 0.692 5.049 1.00 0.00 H new ATOM 0 HA THR A 19 -14.882 -0.123 6.837 1.00 0.00 H new ATOM 0 HB THR A 19 -15.103 1.523 4.938 1.00 0.00 H new ATOM 0 HG1 THR A 19 -17.300 0.846 4.443 1.00 0.00 H new ATOM 0 HG21 THR A 19 -15.689 0.652 2.701 1.00 0.00 H new ATOM 0 HG22 THR A 19 -14.034 0.198 3.172 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.345 -1.002 3.261 1.00 0.00 H new ATOM 299 N ARG A 20 -13.943 -2.434 4.728 1.00 0.00 N ATOM 300 CA ARG A 20 -14.075 -3.847 4.396 1.00 0.00 C ATOM 301 C ARG A 20 -13.755 -4.731 5.595 1.00 0.00 C ATOM 302 O ARG A 20 -14.571 -5.556 6.009 1.00 0.00 O ATOM 303 CB ARG A 20 -13.158 -4.209 3.224 1.00 0.00 C ATOM 304 CG ARG A 20 -13.103 -5.701 2.932 1.00 0.00 C ATOM 305 CD ARG A 20 -14.492 -6.275 2.717 1.00 0.00 C ATOM 306 NE ARG A 20 -14.466 -7.723 2.522 1.00 0.00 N ATOM 307 CZ ARG A 20 -14.099 -8.589 3.463 1.00 0.00 C ATOM 308 NH1 ARG A 20 -13.746 -8.159 4.668 1.00 0.00 N ATOM 309 NH2 ARG A 20 -14.090 -9.890 3.201 1.00 0.00 N ATOM 0 H ARG A 20 -13.161 -1.963 4.273 1.00 0.00 H new ATOM 0 HA ARG A 20 -15.112 -4.023 4.108 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.499 -3.685 2.331 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.151 -3.852 3.438 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.494 -5.878 2.046 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.618 -6.218 3.760 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.119 -6.037 3.576 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.949 -5.801 1.848 1.00 0.00 H new ATOM 0 HE ARG A 20 -14.745 -8.091 1.613 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.755 -7.161 4.876 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.465 -8.827 5.386 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -14.364 -10.226 2.278 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.809 -10.554 3.923 1.00 0.00 H new ATOM 323 N PHE A 21 -12.555 -4.565 6.139 1.00 0.00 N ATOM 324 CA PHE A 21 -12.115 -5.359 7.278 1.00 0.00 C ATOM 325 C PHE A 21 -12.399 -4.666 8.609 1.00 0.00 C ATOM 326 O PHE A 21 -11.587 -4.739 9.533 1.00 0.00 O ATOM 327 CB PHE A 21 -10.622 -5.663 7.165 1.00 0.00 C ATOM 328 CG PHE A 21 -10.247 -6.440 5.934 1.00 0.00 C ATOM 329 CD1 PHE A 21 -10.092 -5.803 4.713 1.00 0.00 C ATOM 330 CD2 PHE A 21 -10.029 -7.806 6.005 1.00 0.00 C ATOM 331 CE1 PHE A 21 -9.731 -6.518 3.586 1.00 0.00 C ATOM 332 CE2 PHE A 21 -9.666 -8.525 4.883 1.00 0.00 C ATOM 333 CZ PHE A 21 -9.517 -7.880 3.671 1.00 0.00 C ATOM 0 H PHE A 21 -11.869 -3.886 5.808 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.684 -6.289 7.260 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.069 -4.724 7.172 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.308 -6.224 8.046 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.255 -4.738 4.641 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -10.144 -8.316 6.950 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.616 -6.012 2.639 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -9.499 -9.590 4.953 1.00 0.00 H new ATOM 0 HZ PHE A 21 -9.234 -8.439 2.792 1.00 0.00 H new ATOM 343 N LEU A 22 -13.550 -4.006 8.716 1.00 0.00 N ATOM 344 CA LEU A 22 -13.919 -3.325 9.955 1.00 0.00 C ATOM 345 C LEU A 22 -13.852 -4.283 11.142 1.00 0.00 C ATOM 346 O LEU A 22 -13.488 -3.891 12.250 1.00 0.00 O ATOM 347 CB LEU A 22 -15.327 -2.734 9.848 1.00 0.00 C ATOM 348 CG LEU A 22 -15.459 -1.518 8.929 1.00 0.00 C ATOM 349 CD1 LEU A 22 -16.913 -1.089 8.817 1.00 0.00 C ATOM 350 CD2 LEU A 22 -14.605 -0.367 9.441 1.00 0.00 C ATOM 0 H LEU A 22 -14.238 -3.928 7.967 1.00 0.00 H new ATOM 0 HA LEU A 22 -13.206 -2.516 10.116 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -16.003 -3.512 9.493 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -15.661 -2.452 10.846 1.00 0.00 H new ATOM 0 HG LEU A 22 -15.104 -1.798 7.937 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -16.987 -0.223 8.159 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -17.503 -1.908 8.406 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -17.292 -0.828 9.805 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -14.711 0.489 8.775 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -14.931 -0.090 10.443 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.560 -0.675 9.472 1.00 0.00 H new ATOM 362 N ASP A 23 -14.206 -5.541 10.896 1.00 0.00 N ATOM 363 CA ASP A 23 -14.189 -6.564 11.934 1.00 0.00 C ATOM 364 C ASP A 23 -12.762 -7.002 12.242 1.00 0.00 C ATOM 365 O ASP A 23 -12.416 -7.247 13.397 1.00 0.00 O ATOM 366 CB ASP A 23 -15.031 -7.766 11.505 1.00 0.00 C ATOM 367 CG ASP A 23 -15.077 -8.859 12.558 1.00 0.00 C ATOM 368 OD1 ASP A 23 -14.009 -9.416 12.887 1.00 0.00 O ATOM 369 OD2 ASP A 23 -16.185 -9.159 13.053 1.00 0.00 O ATOM 0 H ASP A 23 -14.509 -5.876 9.982 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.618 -6.138 12.841 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.046 -7.434 11.288 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.626 -8.176 10.580 1.00 0.00 H new ATOM 374 N HIS A 24 -11.941 -7.108 11.199 1.00 0.00 N ATOM 375 CA HIS A 24 -10.559 -7.520 11.343 1.00 0.00 C ATOM 376 C HIS A 24 -9.607 -6.334 11.162 1.00 0.00 C ATOM 377 O HIS A 24 -9.022 -6.157 10.093 1.00 0.00 O ATOM 378 CB HIS A 24 -10.252 -8.603 10.318 1.00 0.00 C ATOM 379 CG HIS A 24 -11.058 -9.851 10.504 1.00 0.00 C ATOM 380 ND1 HIS A 24 -10.987 -10.632 11.637 1.00 0.00 N ATOM 381 CD2 HIS A 24 -11.962 -10.451 9.692 1.00 0.00 C ATOM 382 CE1 HIS A 24 -11.808 -11.659 11.516 1.00 0.00 C ATOM 383 NE2 HIS A 24 -12.412 -11.573 10.344 1.00 0.00 N ATOM 0 H HIS A 24 -12.220 -6.910 10.238 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.412 -7.912 12.349 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -10.435 -8.208 9.319 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.193 -8.853 10.373 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -12.271 -10.111 8.715 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -11.960 -12.437 12.250 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -13.101 -12.233 9.982 1.00 0.00 H new ATOM 392 N PRO A 25 -9.436 -5.501 12.207 1.00 0.00 N ATOM 393 CA PRO A 25 -8.546 -4.332 12.159 1.00 0.00 C ATOM 394 C PRO A 25 -7.102 -4.706 11.844 1.00 0.00 C ATOM 395 O PRO A 25 -6.408 -3.985 11.128 1.00 0.00 O ATOM 396 CB PRO A 25 -8.648 -3.741 13.567 1.00 0.00 C ATOM 397 CG PRO A 25 -9.162 -4.855 14.412 1.00 0.00 C ATOM 398 CD PRO A 25 -10.083 -5.630 13.520 1.00 0.00 C ATOM 0 HA PRO A 25 -8.837 -3.639 11.369 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.678 -3.392 13.920 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.322 -2.885 13.589 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.348 -5.481 14.777 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.689 -4.475 15.287 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.167 -6.671 13.830 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.091 -5.215 13.518 1.00 0.00 H new ATOM 406 N GLU A 26 -6.656 -5.836 12.389 1.00 0.00 N ATOM 407 CA GLU A 26 -5.291 -6.310 12.174 1.00 0.00 C ATOM 408 C GLU A 26 -4.923 -6.281 10.693 1.00 0.00 C ATOM 409 O GLU A 26 -3.772 -6.034 10.335 1.00 0.00 O ATOM 410 CB GLU A 26 -5.130 -7.730 12.720 1.00 0.00 C ATOM 411 CG GLU A 26 -6.069 -8.739 12.082 1.00 0.00 C ATOM 412 CD GLU A 26 -5.878 -10.141 12.629 1.00 0.00 C ATOM 413 OE1 GLU A 26 -4.759 -10.679 12.503 1.00 0.00 O ATOM 414 OE2 GLU A 26 -6.848 -10.700 13.183 1.00 0.00 O ATOM 0 H GLU A 26 -7.222 -6.441 12.984 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.617 -5.640 12.708 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.101 -8.055 12.564 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.301 -7.718 13.796 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.100 -8.426 12.248 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.908 -8.749 11.004 1.00 0.00 H new ATOM 421 N ILE A 27 -5.907 -6.536 9.837 1.00 0.00 N ATOM 422 CA ILE A 27 -5.687 -6.541 8.396 1.00 0.00 C ATOM 423 C ILE A 27 -5.296 -5.153 7.904 1.00 0.00 C ATOM 424 O ILE A 27 -4.324 -4.994 7.165 1.00 0.00 O ATOM 425 CB ILE A 27 -6.953 -6.979 7.637 1.00 0.00 C ATOM 426 CG1 ILE A 27 -7.639 -8.146 8.356 1.00 0.00 C ATOM 427 CG2 ILE A 27 -6.601 -7.353 6.202 1.00 0.00 C ATOM 428 CD1 ILE A 27 -6.934 -9.474 8.218 1.00 0.00 C ATOM 0 H ILE A 27 -6.866 -6.742 10.117 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.881 -7.249 8.202 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.653 -6.144 7.613 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.723 -7.903 9.415 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.653 -8.247 7.970 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.504 -7.661 5.674 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.163 -6.491 5.698 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.884 -8.174 6.205 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.491 -10.239 8.758 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.873 -9.746 7.164 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.928 -9.397 8.632 1.00 0.00 H new ATOM 440 N TYR A 28 -6.068 -4.153 8.319 1.00 0.00 N ATOM 441 CA TYR A 28 -5.819 -2.770 7.927 1.00 0.00 C ATOM 442 C TYR A 28 -4.417 -2.335 8.333 1.00 0.00 C ATOM 443 O TYR A 28 -3.659 -1.807 7.519 1.00 0.00 O ATOM 444 CB TYR A 28 -6.855 -1.851 8.570 1.00 0.00 C ATOM 445 CG TYR A 28 -6.734 -0.405 8.157 1.00 0.00 C ATOM 446 CD1 TYR A 28 -6.857 -0.038 6.827 1.00 0.00 C ATOM 447 CD2 TYR A 28 -6.507 0.592 9.096 1.00 0.00 C ATOM 448 CE1 TYR A 28 -6.754 1.282 6.437 1.00 0.00 C ATOM 449 CE2 TYR A 28 -6.403 1.917 8.717 1.00 0.00 C ATOM 450 CZ TYR A 28 -6.527 2.256 7.386 1.00 0.00 C ATOM 451 OH TYR A 28 -6.423 3.575 7.004 1.00 0.00 O ATOM 0 H TYR A 28 -6.875 -4.276 8.930 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.900 -2.701 6.842 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.852 -2.209 8.314 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -6.761 -1.918 9.654 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -7.037 -0.799 6.082 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.410 0.328 10.139 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.851 1.550 5.395 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -6.226 2.682 9.458 1.00 0.00 H new ATOM 0 HH TYR A 28 -6.264 4.133 7.794 1.00 0.00 H new ATOM 461 N ARG A 29 -4.083 -2.562 9.597 1.00 0.00 N ATOM 462 CA ARG A 29 -2.780 -2.202 10.129 1.00 0.00 C ATOM 463 C ARG A 29 -1.655 -2.844 9.325 1.00 0.00 C ATOM 464 O ARG A 29 -0.727 -2.164 8.892 1.00 0.00 O ATOM 465 CB ARG A 29 -2.686 -2.641 11.589 1.00 0.00 C ATOM 466 CG ARG A 29 -3.449 -1.750 12.560 1.00 0.00 C ATOM 467 CD ARG A 29 -4.911 -1.580 12.171 1.00 0.00 C ATOM 468 NE ARG A 29 -5.629 -0.705 13.094 1.00 0.00 N ATOM 469 CZ ARG A 29 -5.819 -0.979 14.384 1.00 0.00 C ATOM 470 NH1 ARG A 29 -5.366 -2.113 14.903 1.00 0.00 N ATOM 471 NH2 ARG A 29 -6.471 -0.118 15.155 1.00 0.00 N ATOM 0 H ARG A 29 -4.706 -2.998 10.277 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.670 -1.120 10.059 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.064 -3.660 11.675 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.637 -2.664 11.883 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.390 -2.176 13.562 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.971 -0.771 12.602 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.972 -1.170 11.163 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.395 -2.556 12.148 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.008 0.169 12.729 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.869 -2.781 14.314 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.515 -2.317 15.891 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.826 0.753 14.760 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.617 -0.327 16.143 1.00 0.00 H new ATOM 485 N SER A 30 -1.746 -4.156 9.134 1.00 0.00 N ATOM 486 CA SER A 30 -0.732 -4.896 8.387 1.00 0.00 C ATOM 487 C SER A 30 -0.443 -4.228 7.043 1.00 0.00 C ATOM 488 O SER A 30 0.713 -3.971 6.707 1.00 0.00 O ATOM 489 CB SER A 30 -1.182 -6.342 8.172 1.00 0.00 C ATOM 490 OG SER A 30 -1.393 -6.998 9.411 1.00 0.00 O ATOM 0 H SER A 30 -2.512 -4.730 9.486 1.00 0.00 H new ATOM 0 HA SER A 30 0.188 -4.894 8.972 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.102 -6.357 7.587 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.429 -6.879 7.596 1.00 0.00 H new ATOM 0 HG SER A 30 -2.274 -6.755 9.764 1.00 0.00 H new ATOM 496 N PHE A 31 -1.500 -3.936 6.287 1.00 0.00 N ATOM 497 CA PHE A 31 -1.361 -3.280 4.989 1.00 0.00 C ATOM 498 C PHE A 31 -0.544 -1.997 5.120 1.00 0.00 C ATOM 499 O PHE A 31 0.377 -1.743 4.337 1.00 0.00 O ATOM 500 CB PHE A 31 -2.744 -2.954 4.416 1.00 0.00 C ATOM 501 CG PHE A 31 -2.705 -2.071 3.201 1.00 0.00 C ATOM 502 CD1 PHE A 31 -2.223 -2.549 1.993 1.00 0.00 C ATOM 503 CD2 PHE A 31 -3.156 -0.761 3.269 1.00 0.00 C ATOM 504 CE1 PHE A 31 -2.190 -1.738 0.876 1.00 0.00 C ATOM 505 CE2 PHE A 31 -3.124 0.055 2.154 1.00 0.00 C ATOM 506 CZ PHE A 31 -2.640 -0.435 0.956 1.00 0.00 C ATOM 0 H PHE A 31 -2.463 -4.144 6.552 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.841 -3.959 4.314 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.250 -3.885 4.161 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.341 -2.468 5.188 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.869 -3.567 1.924 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.536 -0.375 4.203 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.812 -2.123 -0.060 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.477 1.074 2.219 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.614 0.201 0.083 1.00 0.00 H new ATOM 516 N LEU A 32 -0.889 -1.194 6.120 1.00 0.00 N ATOM 517 CA LEU A 32 -0.196 0.061 6.367 1.00 0.00 C ATOM 518 C LEU A 32 1.279 -0.194 6.642 1.00 0.00 C ATOM 519 O LEU A 32 2.143 0.511 6.126 1.00 0.00 O ATOM 520 CB LEU A 32 -0.843 0.799 7.537 1.00 0.00 C ATOM 521 CG LEU A 32 -2.345 1.039 7.386 1.00 0.00 C ATOM 522 CD1 LEU A 32 -2.895 1.781 8.591 1.00 0.00 C ATOM 523 CD2 LEU A 32 -2.629 1.810 6.110 1.00 0.00 C ATOM 0 H LEU A 32 -1.647 -1.392 6.773 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.275 0.687 5.478 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.669 0.229 8.450 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.346 1.761 7.663 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.844 0.072 7.326 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.965 1.941 8.462 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.722 1.192 9.491 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.393 2.744 8.686 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.702 1.974 6.015 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.117 2.772 6.144 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.272 1.239 5.253 1.00 0.00 H new ATOM 535 N GLU A 33 1.560 -1.221 7.438 1.00 0.00 N ATOM 536 CA GLU A 33 2.934 -1.586 7.757 1.00 0.00 C ATOM 537 C GLU A 33 3.680 -1.969 6.486 1.00 0.00 C ATOM 538 O GLU A 33 4.881 -1.742 6.376 1.00 0.00 O ATOM 539 CB GLU A 33 2.968 -2.741 8.762 1.00 0.00 C ATOM 540 CG GLU A 33 3.274 -2.310 10.191 1.00 0.00 C ATOM 541 CD GLU A 33 2.239 -1.362 10.774 1.00 0.00 C ATOM 542 OE1 GLU A 33 1.254 -1.047 10.078 1.00 0.00 O ATOM 543 OE2 GLU A 33 2.418 -0.938 11.936 1.00 0.00 O ATOM 0 H GLU A 33 0.854 -1.815 7.873 1.00 0.00 H new ATOM 0 HA GLU A 33 3.425 -0.725 8.210 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.005 -3.252 8.746 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.718 -3.465 8.443 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.340 -3.196 10.823 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.251 -1.828 10.215 1.00 0.00 H new ATOM 550 N ILE A 34 2.957 -2.537 5.522 1.00 0.00 N ATOM 551 CA ILE A 34 3.556 -2.927 4.253 1.00 0.00 C ATOM 552 C ILE A 34 4.133 -1.703 3.553 1.00 0.00 C ATOM 553 O ILE A 34 5.333 -1.636 3.278 1.00 0.00 O ATOM 554 CB ILE A 34 2.528 -3.598 3.335 1.00 0.00 C ATOM 555 CG1 ILE A 34 2.003 -4.867 4.002 1.00 0.00 C ATOM 556 CG2 ILE A 34 3.149 -3.912 1.978 1.00 0.00 C ATOM 557 CD1 ILE A 34 0.929 -5.557 3.205 1.00 0.00 C ATOM 0 H ILE A 34 1.959 -2.736 5.598 1.00 0.00 H new ATOM 0 HA ILE A 34 4.350 -3.643 4.464 1.00 0.00 H new ATOM 0 HB ILE A 34 1.694 -2.917 3.169 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.832 -5.558 4.156 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.610 -4.616 4.987 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.405 -4.388 1.339 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.490 -2.988 1.511 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.996 -4.585 2.112 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.600 -6.451 3.735 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.084 -4.882 3.073 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.324 -5.839 2.229 1.00 0.00 H new ATOM 569 N LEU A 35 3.272 -0.721 3.299 1.00 0.00 N ATOM 570 CA LEU A 35 3.701 0.519 2.666 1.00 0.00 C ATOM 571 C LEU A 35 4.749 1.190 3.549 1.00 0.00 C ATOM 572 O LEU A 35 5.740 1.740 3.065 1.00 0.00 O ATOM 573 CB LEU A 35 2.502 1.450 2.452 1.00 0.00 C ATOM 574 CG LEU A 35 1.416 0.907 1.518 1.00 0.00 C ATOM 575 CD1 LEU A 35 0.192 1.808 1.534 1.00 0.00 C ATOM 576 CD2 LEU A 35 1.946 0.775 0.098 1.00 0.00 C ATOM 0 H LEU A 35 2.277 -0.761 3.521 1.00 0.00 H new ATOM 0 HA LEU A 35 4.136 0.300 1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.052 1.665 3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.864 2.397 2.051 1.00 0.00 H new ATOM 0 HG LEU A 35 1.127 -0.081 1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.566 1.403 0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.209 1.860 2.546 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.472 2.808 1.203 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.159 0.388 -0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.265 1.752 -0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.794 0.090 0.088 1.00 0.00 H new ATOM 588 N HIS A 36 4.521 1.104 4.856 1.00 0.00 N ATOM 589 CA HIS A 36 5.428 1.662 5.848 1.00 0.00 C ATOM 590 C HIS A 36 6.817 1.047 5.715 1.00 0.00 C ATOM 591 O HIS A 36 7.826 1.744 5.812 1.00 0.00 O ATOM 592 CB HIS A 36 4.869 1.423 7.254 1.00 0.00 C ATOM 593 CG HIS A 36 4.024 2.551 7.763 1.00 0.00 C ATOM 594 ND1 HIS A 36 4.478 3.851 7.850 1.00 0.00 N ATOM 595 CD2 HIS A 36 2.754 2.566 8.227 1.00 0.00 C ATOM 596 CE1 HIS A 36 3.521 4.617 8.343 1.00 0.00 C ATOM 597 NE2 HIS A 36 2.465 3.861 8.579 1.00 0.00 N ATOM 0 H HIS A 36 3.702 0.645 5.255 1.00 0.00 H new ATOM 0 HA HIS A 36 5.516 2.735 5.678 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.275 0.509 7.249 1.00 0.00 H new ATOM 0 HB3 HIS A 36 5.698 1.261 7.943 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.091 1.717 8.306 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.591 5.680 8.522 1.00 0.00 H new ATOM 0 HE2 HIS A 36 1.577 4.187 8.961 1.00 0.00 H new ATOM 606 N THR A 37 6.859 -0.259 5.477 1.00 0.00 N ATOM 607 CA THR A 37 8.119 -0.971 5.313 1.00 0.00 C ATOM 608 C THR A 37 8.887 -0.407 4.127 1.00 0.00 C ATOM 609 O THR A 37 10.114 -0.313 4.148 1.00 0.00 O ATOM 610 CB THR A 37 7.890 -2.481 5.094 1.00 0.00 C ATOM 611 OG1 THR A 37 7.197 -3.039 6.217 1.00 0.00 O ATOM 612 CG2 THR A 37 9.211 -3.211 4.897 1.00 0.00 C ATOM 0 H THR A 37 6.030 -0.848 5.393 1.00 0.00 H new ATOM 0 HA THR A 37 8.695 -0.836 6.229 1.00 0.00 H new ATOM 0 HB THR A 37 7.288 -2.605 4.194 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.325 -2.603 6.313 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.020 -4.273 4.745 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.724 -2.806 4.025 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.836 -3.077 5.780 1.00 0.00 H new ATOM 939 N GLU A 57 7.968 -5.941 -3.704 1.00 0.00 N ATOM 940 CA GLU A 57 7.709 -6.522 -2.387 1.00 0.00 C ATOM 941 C GLU A 57 6.359 -6.078 -1.843 1.00 0.00 C ATOM 942 O GLU A 57 5.559 -6.902 -1.402 1.00 0.00 O ATOM 943 CB GLU A 57 8.804 -6.137 -1.393 1.00 0.00 C ATOM 944 CG GLU A 57 8.596 -6.735 -0.008 1.00 0.00 C ATOM 945 CD GLU A 57 8.820 -8.236 0.023 1.00 0.00 C ATOM 946 OE1 GLU A 57 8.088 -8.962 -0.682 1.00 0.00 O ATOM 947 OE2 GLU A 57 9.729 -8.684 0.753 1.00 0.00 O ATOM 0 HA GLU A 57 7.702 -7.605 -2.511 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.769 -6.463 -1.781 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.845 -5.051 -1.310 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.277 -6.256 0.696 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.583 -6.516 0.329 1.00 0.00 H new ATOM 954 N VAL A 58 6.115 -4.770 -1.868 1.00 0.00 N ATOM 955 CA VAL A 58 4.863 -4.217 -1.365 1.00 0.00 C ATOM 956 C VAL A 58 3.669 -4.902 -2.019 1.00 0.00 C ATOM 957 O VAL A 58 2.681 -5.217 -1.355 1.00 0.00 O ATOM 958 CB VAL A 58 4.779 -2.698 -1.615 1.00 0.00 C ATOM 959 CG1 VAL A 58 3.482 -2.134 -1.056 1.00 0.00 C ATOM 960 CG2 VAL A 58 5.980 -1.989 -1.007 1.00 0.00 C ATOM 0 H VAL A 58 6.768 -4.075 -2.231 1.00 0.00 H new ATOM 0 HA VAL A 58 4.839 -4.397 -0.290 1.00 0.00 H new ATOM 0 HB VAL A 58 4.789 -2.526 -2.691 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.442 -1.061 -1.242 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.635 -2.619 -1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.438 -2.318 0.018 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.903 -0.918 -1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.003 -2.169 0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.895 -2.371 -1.459 1.00 0.00 H new ATOM 970 N PHE A 59 3.774 -5.140 -3.320 1.00 0.00 N ATOM 971 CA PHE A 59 2.713 -5.800 -4.070 1.00 0.00 C ATOM 972 C PHE A 59 2.461 -7.199 -3.519 1.00 0.00 C ATOM 973 O PHE A 59 1.319 -7.651 -3.435 1.00 0.00 O ATOM 974 CB PHE A 59 3.090 -5.882 -5.553 1.00 0.00 C ATOM 975 CG PHE A 59 1.994 -6.417 -6.437 1.00 0.00 C ATOM 976 CD1 PHE A 59 0.693 -5.950 -6.317 1.00 0.00 C ATOM 977 CD2 PHE A 59 2.269 -7.383 -7.393 1.00 0.00 C ATOM 978 CE1 PHE A 59 -0.311 -6.437 -7.133 1.00 0.00 C ATOM 979 CE2 PHE A 59 1.268 -7.872 -8.211 1.00 0.00 C ATOM 980 CZ PHE A 59 -0.024 -7.399 -8.080 1.00 0.00 C ATOM 0 H PHE A 59 4.587 -4.884 -3.880 1.00 0.00 H new ATOM 0 HA PHE A 59 1.799 -5.215 -3.966 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.370 -4.888 -5.901 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.970 -6.517 -5.659 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.462 -5.197 -5.578 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.276 -7.757 -7.500 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.320 -6.065 -7.029 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.495 -8.624 -8.952 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.807 -7.781 -8.717 1.00 0.00 H new ATOM 990 N THR A 60 3.542 -7.882 -3.152 1.00 0.00 N ATOM 991 CA THR A 60 3.453 -9.234 -2.616 1.00 0.00 C ATOM 992 C THR A 60 2.851 -9.247 -1.211 1.00 0.00 C ATOM 993 O THR A 60 1.956 -10.037 -0.923 1.00 0.00 O ATOM 994 CB THR A 60 4.838 -9.907 -2.578 1.00 0.00 C ATOM 995 OG1 THR A 60 5.399 -9.945 -3.896 1.00 0.00 O ATOM 996 CG2 THR A 60 4.744 -11.321 -2.024 1.00 0.00 C ATOM 0 H THR A 60 4.493 -7.518 -3.217 1.00 0.00 H new ATOM 0 HA THR A 60 2.797 -9.793 -3.283 1.00 0.00 H new ATOM 0 HB THR A 60 5.482 -9.321 -1.922 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.280 -10.373 -3.864 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.736 -11.772 -2.008 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.344 -11.289 -1.011 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.084 -11.916 -2.656 1.00 0.00 H new ATOM 1004 N GLU A 61 3.353 -8.373 -0.342 1.00 0.00 N ATOM 1005 CA GLU A 61 2.871 -8.287 1.033 1.00 0.00 C ATOM 1006 C GLU A 61 1.374 -8.006 1.073 1.00 0.00 C ATOM 1007 O GLU A 61 0.631 -8.662 1.804 1.00 0.00 O ATOM 1008 CB GLU A 61 3.630 -7.200 1.792 1.00 0.00 C ATOM 1009 CG GLU A 61 5.127 -7.452 1.895 1.00 0.00 C ATOM 1010 CD GLU A 61 5.461 -8.701 2.690 1.00 0.00 C ATOM 1011 OE1 GLU A 61 5.070 -9.805 2.258 1.00 0.00 O ATOM 1012 OE2 GLU A 61 6.113 -8.573 3.747 1.00 0.00 O ATOM 0 H GLU A 61 4.096 -7.712 -0.568 1.00 0.00 H new ATOM 0 HA GLU A 61 3.050 -9.249 1.514 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.466 -6.243 1.297 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.216 -7.115 2.797 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.545 -7.543 0.892 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.604 -6.591 2.363 1.00 0.00 H new ATOM 1019 N VAL A 62 0.932 -7.035 0.279 1.00 0.00 N ATOM 1020 CA VAL A 62 -0.480 -6.685 0.225 1.00 0.00 C ATOM 1021 C VAL A 62 -1.286 -7.855 -0.323 1.00 0.00 C ATOM 1022 O VAL A 62 -2.364 -8.170 0.179 1.00 0.00 O ATOM 1023 CB VAL A 62 -0.725 -5.440 -0.647 1.00 0.00 C ATOM 1024 CG1 VAL A 62 -2.209 -5.102 -0.698 1.00 0.00 C ATOM 1025 CG2 VAL A 62 0.076 -4.257 -0.125 1.00 0.00 C ATOM 0 H VAL A 62 1.530 -6.480 -0.333 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.802 -6.456 1.241 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.391 -5.661 -1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.360 -4.219 -1.319 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.759 -5.942 -1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.572 -4.902 0.310 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.110 -3.386 -0.754 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.226 -4.036 0.899 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.138 -4.499 -0.146 1.00 0.00 H new ATOM 1035 N ALA A 63 -0.744 -8.510 -1.349 1.00 0.00 N ATOM 1036 CA ALA A 63 -1.399 -9.661 -1.953 1.00 0.00 C ATOM 1037 C ALA A 63 -1.546 -10.777 -0.928 1.00 0.00 C ATOM 1038 O ALA A 63 -2.576 -11.448 -0.864 1.00 0.00 O ATOM 1039 CB ALA A 63 -0.615 -10.146 -3.164 1.00 0.00 C ATOM 0 H ALA A 63 0.148 -8.260 -1.777 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.392 -9.363 -2.288 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.119 -11.007 -3.603 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.554 -9.346 -3.902 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.390 -10.433 -2.856 1.00 0.00 H new ATOM 1045 N ASN A 64 -0.508 -10.953 -0.116 1.00 0.00 N ATOM 1046 CA ASN A 64 -0.510 -11.968 0.928 1.00 0.00 C ATOM 1047 C ASN A 64 -1.646 -11.709 1.913 1.00 0.00 C ATOM 1048 O ASN A 64 -2.336 -12.635 2.340 1.00 0.00 O ATOM 1049 CB ASN A 64 0.841 -11.986 1.653 1.00 0.00 C ATOM 1050 CG ASN A 64 1.935 -12.637 0.825 1.00 0.00 C ATOM 1051 OD1 ASN A 64 1.798 -13.780 0.391 1.00 0.00 O ATOM 1052 ND2 ASN A 64 3.035 -11.920 0.609 1.00 0.00 N ATOM 0 H ASN A 64 0.349 -10.402 -0.163 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.667 -12.944 0.470 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.133 -10.964 1.897 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.736 -12.521 2.597 1.00 0.00 H new ATOM 0 HD21 ASN A 64 3.803 -12.315 0.066 1.00 0.00 H new ATOM 0 HD22 ASN A 64 3.110 -10.975 0.986 1.00 0.00 H new ATOM 1059 N LEU A 65 -1.844 -10.438 2.250 1.00 0.00 N ATOM 1060 CA LEU A 65 -2.906 -10.036 3.163 1.00 0.00 C ATOM 1061 C LEU A 65 -4.270 -10.283 2.541 1.00 0.00 C ATOM 1062 O LEU A 65 -5.064 -11.084 3.035 1.00 0.00 O ATOM 1063 CB LEU A 65 -2.774 -8.549 3.477 1.00 0.00 C ATOM 1064 CG LEU A 65 -2.178 -8.205 4.836 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -1.945 -6.709 4.923 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -3.099 -8.667 5.954 1.00 0.00 C ATOM 0 H LEU A 65 -1.278 -9.665 1.901 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.815 -10.625 4.075 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.158 -8.088 2.705 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.762 -8.094 3.410 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.225 -8.721 4.948 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.519 -6.463 5.896 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.256 -6.402 4.136 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.893 -6.185 4.800 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.657 -8.413 6.918 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.066 -8.173 5.856 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.235 -9.747 5.891 1.00 0.00 H new ATOM 1078 N PHE A 66 -4.529 -9.563 1.458 1.00 0.00 N ATOM 1079 CA PHE A 66 -5.792 -9.660 0.738 1.00 0.00 C ATOM 1080 C PHE A 66 -5.848 -10.932 -0.108 1.00 0.00 C ATOM 1081 O PHE A 66 -6.297 -10.905 -1.254 1.00 0.00 O ATOM 1082 CB PHE A 66 -5.967 -8.430 -0.160 1.00 0.00 C ATOM 1083 CG PHE A 66 -5.876 -7.107 0.561 1.00 0.00 C ATOM 1084 CD1 PHE A 66 -5.895 -7.035 1.950 1.00 0.00 C ATOM 1085 CD2 PHE A 66 -5.758 -5.929 -0.161 1.00 0.00 C ATOM 1086 CE1 PHE A 66 -5.803 -5.818 2.598 1.00 0.00 C ATOM 1087 CE2 PHE A 66 -5.666 -4.709 0.483 1.00 0.00 C ATOM 1088 CZ PHE A 66 -5.689 -4.654 1.863 1.00 0.00 C ATOM 0 H PHE A 66 -3.871 -8.896 1.054 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.601 -9.702 1.467 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -5.207 -8.456 -0.941 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.936 -8.493 -0.655 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.983 -7.942 2.530 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.738 -5.965 -1.240 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.820 -5.777 3.677 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.576 -3.800 -0.093 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.618 -3.701 2.367 1.00 0.00 H new ATOM 1098 N ARG A 67 -5.390 -12.044 0.463 1.00 0.00 N ATOM 1099 CA ARG A 67 -5.391 -13.320 -0.242 1.00 0.00 C ATOM 1100 C ARG A 67 -6.806 -13.686 -0.680 1.00 0.00 C ATOM 1101 O ARG A 67 -7.754 -13.567 0.096 1.00 0.00 O ATOM 1102 CB ARG A 67 -4.814 -14.419 0.655 1.00 0.00 C ATOM 1103 CG ARG A 67 -4.686 -15.768 -0.034 1.00 0.00 C ATOM 1104 CD ARG A 67 -4.124 -16.821 0.908 1.00 0.00 C ATOM 1105 NE ARG A 67 -3.915 -18.102 0.237 1.00 0.00 N ATOM 1106 CZ ARG A 67 -3.423 -19.180 0.840 1.00 0.00 C ATOM 1107 NH1 ARG A 67 -3.096 -19.135 2.125 1.00 0.00 N ATOM 1108 NH2 ARG A 67 -3.257 -20.305 0.158 1.00 0.00 N ATOM 0 H ARG A 67 -5.014 -12.085 1.410 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.766 -13.227 -1.130 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.831 -14.108 1.009 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.449 -14.529 1.534 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.663 -16.087 -0.397 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.037 -15.673 -0.905 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.178 -16.470 1.321 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -4.807 -16.958 1.747 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.161 -18.173 -0.750 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.222 -18.272 2.653 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.719 -19.964 2.585 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.507 -20.344 -0.830 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.879 -21.131 0.622 1.00 0.00 H new ATOM 1122 N GLY A 68 -6.941 -14.121 -1.930 1.00 0.00 N ATOM 1123 CA GLY A 68 -8.247 -14.484 -2.452 1.00 0.00 C ATOM 1124 C GLY A 68 -9.055 -13.270 -2.875 1.00 0.00 C ATOM 1125 O GLY A 68 -9.714 -13.288 -3.914 1.00 0.00 O ATOM 0 H GLY A 68 -6.171 -14.228 -2.590 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.122 -15.150 -3.305 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.798 -15.038 -1.693 1.00 0.00 H new ATOM 1129 N GLN A 69 -8.998 -12.215 -2.066 1.00 0.00 N ATOM 1130 CA GLN A 69 -9.723 -10.979 -2.353 1.00 0.00 C ATOM 1131 C GLN A 69 -8.979 -10.139 -3.388 1.00 0.00 C ATOM 1132 O GLN A 69 -8.583 -9.004 -3.116 1.00 0.00 O ATOM 1133 CB GLN A 69 -9.923 -10.175 -1.069 1.00 0.00 C ATOM 1134 CG GLN A 69 -10.729 -10.912 -0.013 1.00 0.00 C ATOM 1135 CD GLN A 69 -10.890 -10.108 1.261 1.00 0.00 C ATOM 1136 OE1 GLN A 69 -11.441 -9.008 1.250 1.00 0.00 O ATOM 1137 NE2 GLN A 69 -10.407 -10.656 2.371 1.00 0.00 N ATOM 0 H GLN A 69 -8.455 -12.191 -1.203 1.00 0.00 H new ATOM 0 HA GLN A 69 -10.698 -11.243 -2.763 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -8.948 -9.916 -0.656 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.426 -9.238 -1.311 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -11.714 -11.152 -0.414 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -10.240 -11.858 0.218 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -9.957 -11.571 2.334 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.486 -10.162 3.260 1.00 0.00 H new ATOM 1146 N GLU A 70 -8.780 -10.710 -4.571 1.00 0.00 N ATOM 1147 CA GLU A 70 -8.072 -10.030 -5.650 1.00 0.00 C ATOM 1148 C GLU A 70 -8.782 -8.752 -6.087 1.00 0.00 C ATOM 1149 O GLU A 70 -8.259 -8.001 -6.912 1.00 0.00 O ATOM 1150 CB GLU A 70 -7.924 -10.964 -6.847 1.00 0.00 C ATOM 1151 CG GLU A 70 -7.094 -12.197 -6.543 1.00 0.00 C ATOM 1152 CD GLU A 70 -7.081 -13.190 -7.687 1.00 0.00 C ATOM 1153 OE1 GLU A 70 -6.640 -12.814 -8.794 1.00 0.00 O ATOM 1154 OE2 GLU A 70 -7.512 -14.343 -7.478 1.00 0.00 O ATOM 0 H GLU A 70 -9.101 -11.649 -4.808 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.089 -9.753 -5.269 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.914 -11.274 -7.183 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.464 -10.418 -7.671 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.071 -11.895 -6.318 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.487 -12.683 -5.650 1.00 0.00 H new ATOM 1161 N ASP A 71 -9.969 -8.502 -5.541 1.00 0.00 N ATOM 1162 CA ASP A 71 -10.723 -7.308 -5.898 1.00 0.00 C ATOM 1163 C ASP A 71 -9.940 -6.053 -5.526 1.00 0.00 C ATOM 1164 O ASP A 71 -9.842 -5.115 -6.317 1.00 0.00 O ATOM 1165 CB ASP A 71 -12.100 -7.314 -5.227 1.00 0.00 C ATOM 1166 CG ASP A 71 -12.029 -7.517 -3.726 1.00 0.00 C ATOM 1167 OD1 ASP A 71 -11.493 -6.632 -3.031 1.00 0.00 O ATOM 1168 OD2 ASP A 71 -12.512 -8.563 -3.246 1.00 0.00 O ATOM 0 H ASP A 71 -10.425 -9.105 -4.856 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.877 -7.307 -6.977 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.604 -6.370 -5.437 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -12.708 -8.105 -5.666 1.00 0.00 H new ATOM 1173 N LEU A 72 -9.362 -6.055 -4.331 1.00 0.00 N ATOM 1174 CA LEU A 72 -8.563 -4.928 -3.868 1.00 0.00 C ATOM 1175 C LEU A 72 -7.233 -4.887 -4.610 1.00 0.00 C ATOM 1176 O LEU A 72 -6.756 -3.820 -4.999 1.00 0.00 O ATOM 1177 CB LEU A 72 -8.315 -5.027 -2.360 1.00 0.00 C ATOM 1178 CG LEU A 72 -9.572 -4.982 -1.491 1.00 0.00 C ATOM 1179 CD1 LEU A 72 -9.213 -5.156 -0.023 1.00 0.00 C ATOM 1180 CD2 LEU A 72 -10.321 -3.674 -1.707 1.00 0.00 C ATOM 0 H LEU A 72 -9.432 -6.825 -3.665 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.114 -4.010 -4.072 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.784 -5.957 -2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.657 -4.211 -2.062 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.224 -5.805 -1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.120 -5.121 0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.719 -6.117 0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.542 -4.354 0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.213 -3.658 -1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.676 -2.837 -1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.611 -3.589 -2.754 1.00 0.00 H new ATOM 1192 N LEU A 73 -6.649 -6.064 -4.808 1.00 0.00 N ATOM 1193 CA LEU A 73 -5.393 -6.204 -5.495 1.00 0.00 C ATOM 1194 C LEU A 73 -5.455 -5.590 -6.886 1.00 0.00 C ATOM 1195 O LEU A 73 -4.480 -5.017 -7.365 1.00 0.00 O ATOM 1196 CB LEU A 73 -5.074 -7.687 -5.583 1.00 0.00 C ATOM 1197 CG LEU A 73 -3.979 -8.185 -4.640 1.00 0.00 C ATOM 1198 CD1 LEU A 73 -2.708 -7.363 -4.795 1.00 0.00 C ATOM 1199 CD2 LEU A 73 -4.476 -8.145 -3.208 1.00 0.00 C ATOM 0 H LEU A 73 -7.046 -6.948 -4.489 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.612 -5.677 -4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.986 -8.249 -5.381 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.779 -7.917 -6.607 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.738 -9.216 -4.900 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.946 -7.739 -4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.347 -7.441 -5.821 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.919 -6.319 -4.563 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.691 -8.501 -2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.741 -7.121 -2.943 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.354 -8.784 -3.109 1.00 0.00 H new ATOM 1211 N SER A 74 -6.610 -5.716 -7.524 1.00 0.00 N ATOM 1212 CA SER A 74 -6.809 -5.171 -8.859 1.00 0.00 C ATOM 1213 C SER A 74 -6.571 -3.665 -8.861 1.00 0.00 C ATOM 1214 O SER A 74 -5.979 -3.120 -9.794 1.00 0.00 O ATOM 1215 CB SER A 74 -8.225 -5.479 -9.341 1.00 0.00 C ATOM 1216 OG SER A 74 -8.428 -5.017 -10.665 1.00 0.00 O ATOM 0 H SER A 74 -7.425 -6.192 -7.137 1.00 0.00 H new ATOM 0 HA SER A 74 -6.093 -5.636 -9.537 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.401 -6.554 -9.297 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.949 -5.010 -8.674 1.00 0.00 H new ATOM 0 HG SER A 74 -9.342 -5.229 -10.949 1.00 0.00 H new ATOM 1222 N GLU A 75 -7.035 -3.002 -7.806 1.00 0.00 N ATOM 1223 CA GLU A 75 -6.876 -1.558 -7.672 1.00 0.00 C ATOM 1224 C GLU A 75 -5.420 -1.188 -7.405 1.00 0.00 C ATOM 1225 O GLU A 75 -4.846 -0.337 -8.085 1.00 0.00 O ATOM 1226 CB GLU A 75 -7.762 -1.044 -6.545 1.00 0.00 C ATOM 1227 CG GLU A 75 -9.244 -1.213 -6.824 1.00 0.00 C ATOM 1228 CD GLU A 75 -9.703 -0.491 -8.078 1.00 0.00 C ATOM 1229 OE1 GLU A 75 -9.245 -0.859 -9.180 1.00 0.00 O ATOM 1230 OE2 GLU A 75 -10.523 0.443 -7.957 1.00 0.00 O ATOM 0 H GLU A 75 -7.526 -3.444 -7.029 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.176 -1.091 -8.610 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.510 -1.571 -5.625 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.549 0.012 -6.377 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.470 -2.275 -6.921 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.812 -0.843 -5.971 1.00 0.00 H new ATOM 1237 N PHE A 76 -4.833 -1.840 -6.407 1.00 0.00 N ATOM 1238 CA PHE A 76 -3.444 -1.602 -6.025 1.00 0.00 C ATOM 1239 C PHE A 76 -2.502 -1.841 -7.200 1.00 0.00 C ATOM 1240 O PHE A 76 -1.529 -1.110 -7.393 1.00 0.00 O ATOM 1241 CB PHE A 76 -3.070 -2.525 -4.865 1.00 0.00 C ATOM 1242 CG PHE A 76 -1.699 -2.288 -4.294 1.00 0.00 C ATOM 1243 CD1 PHE A 76 -1.262 -1.006 -3.998 1.00 0.00 C ATOM 1244 CD2 PHE A 76 -0.850 -3.355 -4.042 1.00 0.00 C ATOM 1245 CE1 PHE A 76 -0.005 -0.793 -3.463 1.00 0.00 C ATOM 1246 CE2 PHE A 76 0.405 -3.148 -3.506 1.00 0.00 C ATOM 1247 CZ PHE A 76 0.828 -1.866 -3.216 1.00 0.00 C ATOM 0 H PHE A 76 -5.304 -2.546 -5.841 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.344 -0.561 -5.717 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.806 -2.405 -4.070 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.134 -3.559 -5.205 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.911 -0.164 -4.188 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.175 -4.360 -4.268 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.325 0.211 -3.239 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.056 -3.988 -3.314 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.810 -1.703 -2.796 1.00 0.00 H new ATOM 1257 N GLY A 77 -2.798 -2.879 -7.971 1.00 0.00 N ATOM 1258 CA GLY A 77 -1.977 -3.227 -9.115 1.00 0.00 C ATOM 1259 C GLY A 77 -1.859 -2.108 -10.135 1.00 0.00 C ATOM 1260 O GLY A 77 -0.805 -1.933 -10.746 1.00 0.00 O ATOM 0 H GLY A 77 -3.600 -3.492 -7.823 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.980 -3.499 -8.768 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.397 -4.108 -9.600 1.00 0.00 H new ATOM 1423 N ILE B 2 3.020 4.948 -4.477 1.00 0.00 N ATOM 1424 CA ILE B 2 2.923 4.370 -3.141 1.00 0.00 C ATOM 1425 C ILE B 2 2.773 5.462 -2.089 1.00 0.00 C ATOM 1426 O ILE B 2 2.035 5.304 -1.119 1.00 0.00 O ATOM 1427 CB ILE B 2 4.154 3.502 -2.804 1.00 0.00 C ATOM 1428 CG1 ILE B 2 4.227 2.295 -3.745 1.00 0.00 C ATOM 1429 CG2 ILE B 2 4.110 3.048 -1.350 1.00 0.00 C ATOM 1430 CD1 ILE B 2 3.020 1.384 -3.662 1.00 0.00 C ATOM 0 HA ILE B 2 2.038 3.734 -3.133 1.00 0.00 H new ATOM 0 HB ILE B 2 5.051 4.105 -2.944 1.00 0.00 H new ATOM 0 HG12 ILE B 2 4.333 2.651 -4.770 1.00 0.00 H new ATOM 0 HG13 ILE B 2 5.123 1.719 -3.513 1.00 0.00 H new ATOM 0 HG21 ILE B 2 4.986 2.437 -1.133 1.00 0.00 H new ATOM 0 HG22 ILE B 2 4.104 3.920 -0.696 1.00 0.00 H new ATOM 0 HG23 ILE B 2 3.208 2.461 -1.179 1.00 0.00 H new ATOM 0 HD11 ILE B 2 3.143 0.553 -4.356 1.00 0.00 H new ATOM 0 HD12 ILE B 2 2.924 0.998 -2.647 1.00 0.00 H new ATOM 0 HD13 ILE B 2 2.122 1.945 -3.923 1.00 0.00 H new ATOM 1442 N GLN B 3 3.473 6.573 -2.295 1.00 0.00 N ATOM 1443 CA GLN B 3 3.414 7.697 -1.370 1.00 0.00 C ATOM 1444 C GLN B 3 1.967 8.131 -1.167 1.00 0.00 C ATOM 1445 O GLN B 3 1.521 8.332 -0.039 1.00 0.00 O ATOM 1446 CB GLN B 3 4.255 8.860 -1.919 1.00 0.00 C ATOM 1447 CG GLN B 3 4.432 10.041 -0.967 1.00 0.00 C ATOM 1448 CD GLN B 3 3.223 10.962 -0.905 1.00 0.00 C ATOM 1449 OE1 GLN B 3 2.219 10.657 -0.265 1.00 0.00 O ATOM 1450 NE2 GLN B 3 3.311 12.100 -1.583 1.00 0.00 N ATOM 0 H GLN B 3 4.088 6.718 -3.096 1.00 0.00 H new ATOM 0 HA GLN B 3 3.820 7.394 -0.405 1.00 0.00 H new ATOM 0 HB2 GLN B 3 5.241 8.480 -2.187 1.00 0.00 H new ATOM 0 HB3 GLN B 3 3.792 9.221 -2.837 1.00 0.00 H new ATOM 0 HG2 GLN B 3 4.641 9.662 0.033 1.00 0.00 H new ATOM 0 HG3 GLN B 3 5.303 10.619 -1.277 1.00 0.00 H new ATOM 0 HE21 GLN B 3 4.161 12.319 -2.103 1.00 0.00 H new ATOM 0 HE22 GLN B 3 2.529 12.755 -1.584 1.00 0.00 H new ATOM 1459 N MET B 4 1.243 8.268 -2.273 1.00 0.00 N ATOM 1460 CA MET B 4 -0.155 8.682 -2.236 1.00 0.00 C ATOM 1461 C MET B 4 -1.015 7.720 -1.417 1.00 0.00 C ATOM 1462 O MET B 4 -1.779 8.150 -0.552 1.00 0.00 O ATOM 1463 CB MET B 4 -0.700 8.788 -3.661 1.00 0.00 C ATOM 1464 CG MET B 4 0.072 9.767 -4.530 1.00 0.00 C ATOM 1465 SD MET B 4 -0.557 9.843 -6.218 1.00 0.00 S ATOM 1466 CE MET B 4 0.530 11.076 -6.928 1.00 0.00 C ATOM 0 H MET B 4 1.604 8.097 -3.211 1.00 0.00 H new ATOM 0 HA MET B 4 -0.201 9.656 -1.750 1.00 0.00 H new ATOM 0 HB2 MET B 4 -0.675 7.803 -4.126 1.00 0.00 H new ATOM 0 HB3 MET B 4 -1.745 9.095 -3.621 1.00 0.00 H new ATOM 0 HG2 MET B 4 0.023 10.760 -4.083 1.00 0.00 H new ATOM 0 HG3 MET B 4 1.123 9.478 -4.551 1.00 0.00 H new ATOM 0 HE1 MET B 4 0.266 11.235 -7.974 1.00 0.00 H new ATOM 0 HE2 MET B 4 0.424 12.013 -6.381 1.00 0.00 H new ATOM 0 HE3 MET B 4 1.562 10.732 -6.863 1.00 0.00 H new ATOM 1476 N LEU B 5 -0.898 6.421 -1.689 1.00 0.00 N ATOM 1477 CA LEU B 5 -1.679 5.419 -0.965 1.00 0.00 C ATOM 1478 C LEU B 5 -1.351 5.441 0.524 1.00 0.00 C ATOM 1479 O LEU B 5 -2.246 5.459 1.369 1.00 0.00 O ATOM 1480 CB LEU B 5 -1.427 4.018 -1.531 1.00 0.00 C ATOM 1481 CG LEU B 5 -1.944 3.787 -2.953 1.00 0.00 C ATOM 1482 CD1 LEU B 5 -1.601 2.385 -3.424 1.00 0.00 C ATOM 1483 CD2 LEU B 5 -3.449 4.009 -3.017 1.00 0.00 C ATOM 0 H LEU B 5 -0.274 6.040 -2.400 1.00 0.00 H new ATOM 0 HA LEU B 5 -2.733 5.667 -1.094 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -0.354 3.825 -1.516 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -1.892 3.287 -0.869 1.00 0.00 H new ATOM 0 HG LEU B 5 -1.458 4.505 -3.614 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -1.977 2.239 -4.437 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -0.519 2.253 -3.416 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.061 1.655 -2.758 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -3.799 3.840 -4.036 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -3.948 3.314 -2.342 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -3.679 5.032 -2.719 1.00 0.00 H new ATOM 1495 N LEU B 6 -0.061 5.442 0.832 1.00 0.00 N ATOM 1496 CA LEU B 6 0.404 5.464 2.213 1.00 0.00 C ATOM 1497 C LEU B 6 -0.065 6.732 2.920 1.00 0.00 C ATOM 1498 O LEU B 6 -0.427 6.704 4.097 1.00 0.00 O ATOM 1499 CB LEU B 6 1.931 5.371 2.244 1.00 0.00 C ATOM 1500 CG LEU B 6 2.565 5.377 3.635 1.00 0.00 C ATOM 1501 CD1 LEU B 6 2.007 4.247 4.488 1.00 0.00 C ATOM 1502 CD2 LEU B 6 4.078 5.261 3.519 1.00 0.00 C ATOM 0 H LEU B 6 0.687 5.428 0.139 1.00 0.00 H new ATOM 0 HA LEU B 6 -0.017 4.607 2.739 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.232 4.458 1.731 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.340 6.206 1.674 1.00 0.00 H new ATOM 0 HG LEU B 6 2.321 6.321 4.123 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.473 4.271 5.473 1.00 0.00 H new ATOM 0 HD12 LEU B 6 0.929 4.369 4.593 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.219 3.291 4.010 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.521 5.266 4.515 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.334 4.330 3.013 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.465 6.104 2.946 1.00 0.00 H new ATOM 1514 N GLU B 7 -0.057 7.840 2.189 1.00 0.00 N ATOM 1515 CA GLU B 7 -0.481 9.128 2.727 1.00 0.00 C ATOM 1516 C GLU B 7 -1.979 9.105 3.024 1.00 0.00 C ATOM 1517 O GLU B 7 -2.436 9.654 4.026 1.00 0.00 O ATOM 1518 CB GLU B 7 -0.156 10.242 1.725 1.00 0.00 C ATOM 1519 CG GLU B 7 0.181 11.581 2.370 1.00 0.00 C ATOM 1520 CD GLU B 7 -1.023 12.285 2.970 1.00 0.00 C ATOM 1521 OE1 GLU B 7 -2.162 11.836 2.730 1.00 0.00 O ATOM 1522 OE2 GLU B 7 -0.824 13.304 3.667 1.00 0.00 O ATOM 0 H GLU B 7 0.241 7.872 1.214 1.00 0.00 H new ATOM 0 HA GLU B 7 0.056 9.320 3.656 1.00 0.00 H new ATOM 0 HB2 GLU B 7 0.685 9.926 1.108 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -1.008 10.376 1.058 1.00 0.00 H new ATOM 0 HG2 GLU B 7 0.925 11.422 3.150 1.00 0.00 H new ATOM 0 HG3 GLU B 7 0.637 12.231 1.623 1.00 0.00 H new ATOM 1529 N ALA B 8 -2.730 8.462 2.133 1.00 0.00 N ATOM 1530 CA ALA B 8 -4.179 8.354 2.268 1.00 0.00 C ATOM 1531 C ALA B 8 -4.582 7.841 3.645 1.00 0.00 C ATOM 1532 O ALA B 8 -5.518 8.353 4.258 1.00 0.00 O ATOM 1533 CB ALA B 8 -4.732 7.440 1.185 1.00 0.00 C ATOM 0 H ALA B 8 -2.354 8.004 1.303 1.00 0.00 H new ATOM 0 HA ALA B 8 -4.601 9.352 2.153 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -5.814 7.363 1.291 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -4.492 7.851 0.204 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -4.287 6.450 1.282 1.00 0.00 H new ATOM 1539 N ALA B 9 -3.874 6.824 4.123 1.00 0.00 N ATOM 1540 CA ALA B 9 -4.164 6.238 5.427 1.00 0.00 C ATOM 1541 C ALA B 9 -4.095 7.288 6.530 1.00 0.00 C ATOM 1542 O ALA B 9 -4.949 7.328 7.415 1.00 0.00 O ATOM 1543 CB ALA B 9 -3.197 5.102 5.718 1.00 0.00 C ATOM 0 H ALA B 9 -3.096 6.388 3.628 1.00 0.00 H new ATOM 0 HA ALA B 9 -5.179 5.842 5.403 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -3.423 4.673 6.694 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -3.297 4.334 4.951 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -2.176 5.484 5.718 1.00 0.00 H new ATOM 1549 N ASP B 10 -3.074 8.136 6.470 1.00 0.00 N ATOM 1550 CA ASP B 10 -2.892 9.190 7.463 1.00 0.00 C ATOM 1551 C ASP B 10 -4.071 10.161 7.440 1.00 0.00 C ATOM 1552 O ASP B 10 -4.545 10.606 8.486 1.00 0.00 O ATOM 1553 CB ASP B 10 -1.583 9.942 7.199 1.00 0.00 C ATOM 1554 CG ASP B 10 -1.272 10.977 8.265 1.00 0.00 C ATOM 1555 OD1 ASP B 10 -2.040 11.075 9.246 1.00 0.00 O ATOM 1556 OD2 ASP B 10 -0.254 11.686 8.122 1.00 0.00 O ATOM 0 H ASP B 10 -2.359 8.114 5.743 1.00 0.00 H new ATOM 0 HA ASP B 10 -2.844 8.730 8.450 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.763 9.226 7.145 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -1.642 10.434 6.228 1.00 0.00 H new ATOM 1561 N TYR B 11 -4.535 10.482 6.237 1.00 0.00 N ATOM 1562 CA TYR B 11 -5.656 11.401 6.057 1.00 0.00 C ATOM 1563 C TYR B 11 -6.915 10.898 6.760 1.00 0.00 C ATOM 1564 O TYR B 11 -7.525 11.619 7.550 1.00 0.00 O ATOM 1565 CB TYR B 11 -5.939 11.587 4.565 1.00 0.00 C ATOM 1566 CG TYR B 11 -7.180 12.400 4.269 1.00 0.00 C ATOM 1567 CD1 TYR B 11 -7.299 13.714 4.706 1.00 0.00 C ATOM 1568 CD2 TYR B 11 -8.236 11.849 3.555 1.00 0.00 C ATOM 1569 CE1 TYR B 11 -8.434 14.455 4.436 1.00 0.00 C ATOM 1570 CE2 TYR B 11 -9.373 12.583 3.281 1.00 0.00 C ATOM 1571 CZ TYR B 11 -9.468 13.885 3.723 1.00 0.00 C ATOM 1572 OH TYR B 11 -10.600 14.621 3.452 1.00 0.00 O ATOM 0 H TYR B 11 -4.150 10.117 5.366 1.00 0.00 H new ATOM 0 HA TYR B 11 -5.380 12.356 6.504 1.00 0.00 H new ATOM 0 HB2 TYR B 11 -5.080 12.072 4.101 1.00 0.00 H new ATOM 0 HB3 TYR B 11 -6.041 10.606 4.100 1.00 0.00 H new ATOM 0 HD1 TYR B 11 -6.492 14.163 5.265 1.00 0.00 H new ATOM 0 HD2 TYR B 11 -8.167 10.829 3.208 1.00 0.00 H new ATOM 0 HE1 TYR B 11 -8.511 15.475 4.782 1.00 0.00 H new ATOM 0 HE2 TYR B 11 -10.184 12.139 2.723 1.00 0.00 H new ATOM 0 HH TYR B 11 -11.232 14.073 2.940 1.00 0.00 H new ATOM 1582 N LEU B 12 -7.304 9.663 6.459 1.00 0.00 N ATOM 1583 CA LEU B 12 -8.498 9.069 7.054 1.00 0.00 C ATOM 1584 C LEU B 12 -8.336 8.898 8.560 1.00 0.00 C ATOM 1585 O LEU B 12 -9.204 9.298 9.335 1.00 0.00 O ATOM 1586 CB LEU B 12 -8.797 7.717 6.403 1.00 0.00 C ATOM 1587 CG LEU B 12 -9.107 7.770 4.905 1.00 0.00 C ATOM 1588 CD1 LEU B 12 -9.290 6.365 4.349 1.00 0.00 C ATOM 1589 CD2 LEU B 12 -10.350 8.609 4.644 1.00 0.00 C ATOM 0 H LEU B 12 -6.810 9.054 5.807 1.00 0.00 H new ATOM 0 HA LEU B 12 -9.334 9.745 6.876 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -7.941 7.060 6.558 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -9.644 7.263 6.917 1.00 0.00 H new ATOM 0 HG LEU B 12 -8.263 8.237 4.397 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -9.510 6.421 3.283 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -8.376 5.792 4.501 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -10.116 5.875 4.864 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -10.554 8.634 3.573 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -11.201 8.170 5.165 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -10.187 9.624 5.006 1.00 0.00 H new ATOM 1601 N GLU B 13 -7.222 8.302 8.968 1.00 0.00 N ATOM 1602 CA GLU B 13 -6.947 8.079 10.381 1.00 0.00 C ATOM 1603 C GLU B 13 -6.733 9.404 11.108 1.00 0.00 C ATOM 1604 O GLU B 13 -7.696 9.900 11.730 1.00 0.00 O ATOM 1605 CB GLU B 13 -5.720 7.182 10.549 1.00 0.00 C ATOM 1606 CG GLU B 13 -5.381 6.880 11.999 1.00 0.00 C ATOM 1607 CD GLU B 13 -4.169 5.980 12.136 1.00 0.00 C ATOM 1608 OE1 GLU B 13 -3.078 6.377 11.672 1.00 0.00 O ATOM 1609 OE2 GLU B 13 -4.308 4.878 12.707 1.00 0.00 O ATOM 1610 OXT GLU B 13 -5.603 9.934 11.050 1.00 0.00 O ATOM 0 H GLU B 13 -6.494 7.964 8.339 1.00 0.00 H new ATOM 0 HA GLU B 13 -7.811 7.581 10.821 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -5.891 6.244 10.022 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -4.863 7.661 10.076 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -5.197 7.815 12.528 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -6.238 6.406 12.478 1.00 0.00 H new