USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 500 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 LYS NZ :NH3+ -121:sc= 1.91 (180deg=-0.809) USER MOD Set 1.2: A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 38:sc= -0.967! USER MOD Single : A 15 ASN : amide:sc= -0.578 K(o=-0.58,f=-3.1!) USER MOD Single : A 16 LYS NZ :NH3+ -111:sc= 0.374 (180deg=0) 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 30 SER OG : rot 78:sc= 0.521 USER MOD Single : A 36 HIS : no HD1:sc= -0.021 X(o=-0.021,f=-0.091) USER MOD Single : A 37 THR OG1 : rot 73:sc= 1.27 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN :FLIP amide:sc= -1.53 F(o=-5.1!,f=-1.5) USER MOD Single : A 69 GLN : amide:sc= 0.0004 K(o=0.0004,f=-1.9) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : B 3 GLN :FLIP amide:sc= -2.6 F(o=-5.4!,f=-2.6) USER MOD Single : B 4 MET CE :methyl -161:sc= -0.163 (180deg=-0.692) USER MOD Single : B 11 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 131 N ALA A 10 -6.199 7.384 -4.209 1.00 0.00 N ATOM 132 CA ALA A 10 -5.536 6.602 -3.176 1.00 0.00 C ATOM 133 C ALA A 10 -6.407 6.493 -1.927 1.00 0.00 C ATOM 134 O ALA A 10 -6.561 5.412 -1.354 1.00 0.00 O ATOM 135 CB ALA A 10 -4.190 7.226 -2.831 1.00 0.00 C ATOM 0 HA ALA A 10 -5.372 5.595 -3.561 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.702 6.633 -2.057 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.561 7.249 -3.721 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.343 8.242 -2.468 1.00 0.00 H new ATOM 141 N ILE A 11 -6.970 7.628 -1.509 1.00 0.00 N ATOM 142 CA ILE A 11 -7.821 7.676 -0.324 1.00 0.00 C ATOM 143 C ILE A 11 -8.937 6.641 -0.401 1.00 0.00 C ATOM 144 O ILE A 11 -9.214 5.939 0.570 1.00 0.00 O ATOM 145 CB ILE A 11 -8.465 9.064 -0.144 1.00 0.00 C ATOM 146 CG1 ILE A 11 -7.405 10.169 -0.167 1.00 0.00 C ATOM 147 CG2 ILE A 11 -9.249 9.109 1.157 1.00 0.00 C ATOM 148 CD1 ILE A 11 -6.429 10.114 0.988 1.00 0.00 C ATOM 0 H ILE A 11 -6.850 8.527 -1.976 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.174 7.461 0.526 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.148 9.236 -0.976 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.849 10.104 -1.102 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.905 11.137 -0.160 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.701 10.094 1.276 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.032 8.351 1.136 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.578 8.915 1.993 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.712 10.930 0.898 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.972 10.211 1.928 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.899 9.162 0.971 1.00 0.00 H new ATOM 160 N SER A 12 -9.578 6.562 -1.561 1.00 0.00 N ATOM 161 CA SER A 12 -10.673 5.625 -1.769 1.00 0.00 C ATOM 162 C SER A 12 -10.229 4.191 -1.504 1.00 0.00 C ATOM 163 O SER A 12 -11.001 3.383 -0.985 1.00 0.00 O ATOM 164 CB SER A 12 -11.217 5.747 -3.194 1.00 0.00 C ATOM 165 OG SER A 12 -10.220 5.430 -4.149 1.00 0.00 O ATOM 0 H SER A 12 -9.357 7.138 -2.373 1.00 0.00 H new ATOM 0 HA SER A 12 -11.464 5.875 -1.062 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.070 5.080 -3.319 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.578 6.762 -3.363 1.00 0.00 H new ATOM 0 HG SER A 12 -10.593 5.514 -5.051 1.00 0.00 H new ATOM 171 N TYR A 13 -8.988 3.873 -1.863 1.00 0.00 N ATOM 172 CA TYR A 13 -8.466 2.530 -1.658 1.00 0.00 C ATOM 173 C TYR A 13 -8.351 2.222 -0.170 1.00 0.00 C ATOM 174 O TYR A 13 -8.871 1.216 0.308 1.00 0.00 O ATOM 175 CB TYR A 13 -7.101 2.379 -2.331 1.00 0.00 C ATOM 176 CG TYR A 13 -6.600 0.950 -2.381 1.00 0.00 C ATOM 177 CD1 TYR A 13 -7.454 -0.095 -2.714 1.00 0.00 C ATOM 178 CD2 TYR A 13 -5.273 0.647 -2.099 1.00 0.00 C ATOM 179 CE1 TYR A 13 -7.001 -1.400 -2.763 1.00 0.00 C ATOM 180 CE2 TYR A 13 -4.813 -0.656 -2.148 1.00 0.00 C ATOM 181 CZ TYR A 13 -5.680 -1.674 -2.480 1.00 0.00 C ATOM 182 OH TYR A 13 -5.227 -2.972 -2.527 1.00 0.00 O ATOM 0 H TYR A 13 -8.331 4.524 -2.294 1.00 0.00 H new ATOM 0 HA TYR A 13 -9.161 1.821 -2.109 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -7.162 2.769 -3.347 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.373 2.991 -1.798 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -8.489 0.116 -2.938 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.590 1.442 -1.837 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -7.678 -2.201 -3.022 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.779 -0.875 -1.927 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.659 -3.443 -3.270 1.00 0.00 H new ATOM 192 N VAL A 14 -7.671 3.101 0.557 1.00 0.00 N ATOM 193 CA VAL A 14 -7.482 2.931 1.995 1.00 0.00 C ATOM 194 C VAL A 14 -8.818 2.865 2.731 1.00 0.00 C ATOM 195 O VAL A 14 -9.011 2.030 3.615 1.00 0.00 O ATOM 196 CB VAL A 14 -6.646 4.082 2.587 1.00 0.00 C ATOM 197 CG1 VAL A 14 -6.384 3.850 4.067 1.00 0.00 C ATOM 198 CG2 VAL A 14 -5.341 4.241 1.825 1.00 0.00 C ATOM 0 H VAL A 14 -7.239 3.942 0.174 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.951 1.989 2.131 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.214 5.007 2.485 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.792 4.674 4.465 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.333 3.794 4.600 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.839 2.915 4.198 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.764 5.059 2.258 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.766 3.317 1.891 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.555 4.462 0.779 1.00 0.00 H new ATOM 208 N ASN A 15 -9.732 3.759 2.367 1.00 0.00 N ATOM 209 CA ASN A 15 -11.049 3.816 2.993 1.00 0.00 C ATOM 210 C ASN A 15 -11.790 2.500 2.834 1.00 0.00 C ATOM 211 O ASN A 15 -12.161 1.855 3.814 1.00 0.00 O ATOM 212 CB ASN A 15 -11.877 4.926 2.360 1.00 0.00 C ATOM 213 CG ASN A 15 -13.171 5.179 3.089 1.00 0.00 C ATOM 214 OD1 ASN A 15 -13.947 4.258 3.348 1.00 0.00 O ATOM 215 ND2 ASN A 15 -13.426 6.434 3.403 1.00 0.00 N ATOM 0 H ASN A 15 -9.584 4.457 1.638 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.904 4.014 4.055 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.291 5.845 2.341 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -12.094 4.665 1.324 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -14.295 6.674 3.880 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.754 7.165 3.169 1.00 0.00 H new ATOM 222 N LYS A 16 -12.007 2.120 1.585 1.00 0.00 N ATOM 223 CA LYS A 16 -12.718 0.885 1.266 1.00 0.00 C ATOM 224 C LYS A 16 -12.080 -0.305 1.979 1.00 0.00 C ATOM 225 O LYS A 16 -12.778 -1.193 2.462 1.00 0.00 O ATOM 226 CB LYS A 16 -12.729 0.652 -0.247 1.00 0.00 C ATOM 227 CG LYS A 16 -13.550 -0.554 -0.674 1.00 0.00 C ATOM 228 CD LYS A 16 -13.496 -0.756 -2.180 1.00 0.00 C ATOM 229 CE LYS A 16 -14.330 -1.952 -2.612 1.00 0.00 C ATOM 230 NZ LYS A 16 -14.284 -2.157 -4.085 1.00 0.00 N ATOM 0 H LYS A 16 -11.700 2.650 0.769 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.747 0.983 1.613 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -13.123 1.541 -0.740 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.704 0.523 -0.593 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -13.177 -1.447 -0.172 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -14.585 -0.421 -0.360 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.858 0.141 -2.682 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.462 -0.901 -2.492 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.967 -2.848 -2.109 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -15.364 -1.807 -2.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -15.215 -1.939 -4.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.567 -1.529 -4.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.039 -3.147 -4.290 1.00 0.00 H new ATOM 244 N ILE A 17 -10.754 -0.307 2.054 1.00 0.00 N ATOM 245 CA ILE A 17 -10.034 -1.381 2.728 1.00 0.00 C ATOM 246 C ILE A 17 -10.411 -1.422 4.206 1.00 0.00 C ATOM 247 O ILE A 17 -10.597 -2.494 4.783 1.00 0.00 O ATOM 248 CB ILE A 17 -8.508 -1.211 2.580 1.00 0.00 C ATOM 249 CG1 ILE A 17 -8.096 -1.450 1.126 1.00 0.00 C ATOM 250 CG2 ILE A 17 -7.764 -2.155 3.514 1.00 0.00 C ATOM 251 CD1 ILE A 17 -6.636 -1.165 0.853 1.00 0.00 C ATOM 0 H ILE A 17 -10.158 0.420 1.658 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.319 -2.322 2.257 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.242 -0.191 2.857 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -8.310 -2.486 0.863 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.707 -0.823 0.477 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.690 -2.016 3.391 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.042 -1.940 4.546 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.027 -3.185 3.275 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.418 -1.357 -0.198 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.420 -0.122 1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.017 -1.811 1.476 1.00 0.00 H new ATOM 263 N LYS A 18 -10.533 -0.242 4.805 1.00 0.00 N ATOM 264 CA LYS A 18 -10.900 -0.123 6.211 1.00 0.00 C ATOM 265 C LYS A 18 -12.303 -0.666 6.447 1.00 0.00 C ATOM 266 O LYS A 18 -12.510 -1.576 7.248 1.00 0.00 O ATOM 267 CB LYS A 18 -10.854 1.345 6.632 1.00 0.00 C ATOM 268 CG LYS A 18 -11.270 1.589 8.075 1.00 0.00 C ATOM 269 CD LYS A 18 -11.312 3.075 8.401 1.00 0.00 C ATOM 270 CE LYS A 18 -9.927 3.700 8.363 1.00 0.00 C ATOM 271 NZ LYS A 18 -9.028 3.117 9.396 1.00 0.00 N ATOM 0 H LYS A 18 -10.382 0.650 4.335 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.191 -0.702 6.803 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.841 1.722 6.488 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.505 1.921 5.975 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.252 1.149 8.251 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.572 1.088 8.746 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.961 3.585 7.689 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.749 3.218 9.389 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.489 3.553 7.376 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.009 4.776 8.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.694 3.870 10.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.548 2.405 9.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.212 2.668 8.933 1.00 0.00 H new ATOM 285 N THR A 19 -13.259 -0.080 5.741 1.00 0.00 N ATOM 286 CA THR A 19 -14.661 -0.471 5.854 1.00 0.00 C ATOM 287 C THR A 19 -14.857 -1.945 5.525 1.00 0.00 C ATOM 288 O THR A 19 -15.750 -2.600 6.066 1.00 0.00 O ATOM 289 CB THR A 19 -15.556 0.379 4.927 1.00 0.00 C ATOM 290 OG1 THR A 19 -16.936 0.099 5.186 1.00 0.00 O ATOM 291 CG2 THR A 19 -15.252 0.098 3.464 1.00 0.00 C ATOM 0 H THR A 19 -13.089 0.675 5.077 1.00 0.00 H new ATOM 0 HA THR A 19 -14.953 -0.298 6.890 1.00 0.00 H new ATOM 0 HB THR A 19 -15.348 1.429 5.131 1.00 0.00 H new ATOM 0 HG1 THR A 19 -17.497 0.643 4.595 1.00 0.00 H new ATOM 0 HG21 THR A 19 -15.897 0.711 2.834 1.00 0.00 H new ATOM 0 HG22 THR A 19 -14.209 0.337 3.257 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.432 -0.956 3.251 1.00 0.00 H new ATOM 299 N ARG A 20 -14.027 -2.463 4.632 1.00 0.00 N ATOM 300 CA ARG A 20 -14.119 -3.860 4.232 1.00 0.00 C ATOM 301 C ARG A 20 -13.811 -4.793 5.397 1.00 0.00 C ATOM 302 O ARG A 20 -14.623 -5.647 5.753 1.00 0.00 O ATOM 303 CB ARG A 20 -13.158 -4.144 3.075 1.00 0.00 C ATOM 304 CG ARG A 20 -13.062 -5.616 2.710 1.00 0.00 C ATOM 305 CD ARG A 20 -14.430 -6.201 2.404 1.00 0.00 C ATOM 306 NE ARG A 20 -14.364 -7.633 2.119 1.00 0.00 N ATOM 307 CZ ARG A 20 -13.995 -8.549 3.012 1.00 0.00 C ATOM 308 NH1 ARG A 20 -13.683 -8.189 4.251 1.00 0.00 N ATOM 309 NH2 ARG A 20 -13.944 -9.828 2.668 1.00 0.00 N ATOM 0 H ARG A 20 -13.283 -1.939 4.171 1.00 0.00 H new ATOM 0 HA ARG A 20 -15.143 -4.045 3.907 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.481 -3.582 2.199 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.166 -3.779 3.340 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.411 -5.736 1.844 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.604 -6.167 3.532 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.094 -6.031 3.251 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.863 -5.681 1.549 1.00 0.00 H new ATOM 0 HE ARG A 20 -14.615 -7.949 1.182 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.725 -7.207 4.523 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.401 -8.895 4.931 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -14.187 -10.111 1.719 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.661 -10.529 3.353 1.00 0.00 H new ATOM 323 N PHE A 21 -12.625 -4.637 5.971 1.00 0.00 N ATOM 324 CA PHE A 21 -12.196 -5.477 7.081 1.00 0.00 C ATOM 325 C PHE A 21 -12.523 -4.858 8.440 1.00 0.00 C ATOM 326 O PHE A 21 -11.717 -4.940 9.369 1.00 0.00 O ATOM 327 CB PHE A 21 -10.695 -5.746 6.989 1.00 0.00 C ATOM 328 CG PHE A 21 -10.269 -6.412 5.711 1.00 0.00 C ATOM 329 CD1 PHE A 21 -10.095 -5.675 4.550 1.00 0.00 C ATOM 330 CD2 PHE A 21 -10.019 -7.774 5.678 1.00 0.00 C ATOM 331 CE1 PHE A 21 -9.686 -6.288 3.380 1.00 0.00 C ATOM 332 CE2 PHE A 21 -9.606 -8.391 4.515 1.00 0.00 C ATOM 333 CZ PHE A 21 -9.440 -7.647 3.363 1.00 0.00 C ATOM 0 H PHE A 21 -11.942 -3.935 5.685 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.747 -6.414 7.003 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.160 -4.801 7.090 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.397 -6.372 7.830 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.281 -4.611 4.559 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -10.149 -8.361 6.575 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.559 -5.705 2.480 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -9.413 -9.454 4.505 1.00 0.00 H new ATOM 0 HZ PHE A 21 -9.118 -8.127 2.451 1.00 0.00 H new ATOM 343 N LEU A 22 -13.703 -4.256 8.567 1.00 0.00 N ATOM 344 CA LEU A 22 -14.108 -3.652 9.834 1.00 0.00 C ATOM 345 C LEU A 22 -14.020 -4.666 10.972 1.00 0.00 C ATOM 346 O LEU A 22 -13.687 -4.316 12.104 1.00 0.00 O ATOM 347 CB LEU A 22 -15.531 -3.098 9.742 1.00 0.00 C ATOM 348 CG LEU A 22 -15.681 -1.814 8.923 1.00 0.00 C ATOM 349 CD1 LEU A 22 -17.145 -1.409 8.832 1.00 0.00 C ATOM 350 CD2 LEU A 22 -14.857 -0.690 9.534 1.00 0.00 C ATOM 0 H LEU A 22 -14.389 -4.174 7.817 1.00 0.00 H new ATOM 0 HA LEU A 22 -13.424 -2.830 10.043 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -16.174 -3.864 9.308 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -15.896 -2.910 10.752 1.00 0.00 H new ATOM 0 HG LEU A 22 -15.310 -2.004 7.916 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -17.234 -0.494 8.246 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -17.713 -2.205 8.350 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -17.538 -1.238 9.834 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -14.977 0.214 8.938 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -15.198 -0.501 10.552 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.806 -0.977 9.551 1.00 0.00 H new ATOM 362 N ASP A 23 -14.318 -5.922 10.658 1.00 0.00 N ATOM 363 CA ASP A 23 -14.272 -6.993 11.647 1.00 0.00 C ATOM 364 C ASP A 23 -12.830 -7.386 11.951 1.00 0.00 C ATOM 365 O ASP A 23 -12.485 -7.667 13.097 1.00 0.00 O ATOM 366 CB ASP A 23 -15.056 -8.208 11.150 1.00 0.00 C ATOM 367 CG ASP A 23 -15.120 -9.328 12.173 1.00 0.00 C ATOM 368 OD1 ASP A 23 -14.621 -9.135 13.302 1.00 0.00 O ATOM 369 OD2 ASP A 23 -15.678 -10.396 11.848 1.00 0.00 O ATOM 0 H ASP A 23 -14.595 -6.224 9.724 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.731 -6.629 12.566 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.069 -7.900 10.892 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.595 -8.583 10.236 1.00 0.00 H new ATOM 374 N HIS A 24 -11.996 -7.414 10.912 1.00 0.00 N ATOM 375 CA HIS A 24 -10.597 -7.775 11.049 1.00 0.00 C ATOM 376 C HIS A 24 -9.689 -6.545 10.942 1.00 0.00 C ATOM 377 O HIS A 24 -9.084 -6.304 9.898 1.00 0.00 O ATOM 378 CB HIS A 24 -10.235 -8.788 9.970 1.00 0.00 C ATOM 379 CG HIS A 24 -10.951 -10.095 10.106 1.00 0.00 C ATOM 380 ND1 HIS A 24 -10.791 -10.932 11.190 1.00 0.00 N ATOM 381 CD2 HIS A 24 -11.834 -10.710 9.285 1.00 0.00 C ATOM 382 CE1 HIS A 24 -11.545 -12.006 11.029 1.00 0.00 C ATOM 383 NE2 HIS A 24 -12.188 -11.895 9.882 1.00 0.00 N ATOM 0 H HIS A 24 -12.276 -7.187 9.958 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.446 -8.212 12.036 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -10.460 -8.361 8.993 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.160 -8.968 9.999 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -12.193 -10.338 8.337 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -11.622 -12.833 11.719 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -12.842 -12.579 9.501 1.00 0.00 H new ATOM 392 N PRO A 25 -9.572 -5.749 12.024 1.00 0.00 N ATOM 393 CA PRO A 25 -8.725 -4.548 12.039 1.00 0.00 C ATOM 394 C PRO A 25 -7.260 -4.864 11.750 1.00 0.00 C ATOM 395 O PRO A 25 -6.560 -4.074 11.115 1.00 0.00 O ATOM 396 CB PRO A 25 -8.881 -4.009 13.464 1.00 0.00 C ATOM 397 CG PRO A 25 -9.384 -5.163 14.260 1.00 0.00 C ATOM 398 CD PRO A 25 -10.243 -5.952 13.317 1.00 0.00 C ATOM 0 HA PRO A 25 -9.022 -3.838 11.267 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.931 -3.645 13.854 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.580 -3.173 13.495 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.560 -5.767 14.640 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.956 -4.825 15.124 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.283 -7.006 13.591 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.270 -5.587 13.302 1.00 0.00 H new ATOM 406 N GLU A 26 -6.804 -6.020 12.227 1.00 0.00 N ATOM 407 CA GLU A 26 -5.420 -6.447 12.028 1.00 0.00 C ATOM 408 C GLU A 26 -5.014 -6.355 10.560 1.00 0.00 C ATOM 409 O GLU A 26 -3.851 -6.104 10.244 1.00 0.00 O ATOM 410 CB GLU A 26 -5.231 -7.879 12.532 1.00 0.00 C ATOM 411 CG GLU A 26 -6.139 -8.891 11.850 1.00 0.00 C ATOM 412 CD GLU A 26 -5.935 -10.303 12.365 1.00 0.00 C ATOM 413 OE1 GLU A 26 -5.081 -10.495 13.256 1.00 0.00 O ATOM 414 OE2 GLU A 26 -6.631 -11.219 11.876 1.00 0.00 O ATOM 0 H GLU A 26 -7.374 -6.680 12.756 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.779 -5.775 12.599 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.193 -8.175 12.380 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.415 -7.904 13.606 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.178 -8.600 12.002 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.956 -8.871 10.776 1.00 0.00 H new ATOM 421 N ILE A 27 -5.978 -6.560 9.669 1.00 0.00 N ATOM 422 CA ILE A 27 -5.720 -6.502 8.233 1.00 0.00 C ATOM 423 C ILE A 27 -5.299 -5.097 7.819 1.00 0.00 C ATOM 424 O ILE A 27 -4.329 -4.916 7.081 1.00 0.00 O ATOM 425 CB ILE A 27 -6.972 -6.886 7.426 1.00 0.00 C ATOM 426 CG1 ILE A 27 -7.647 -8.123 8.028 1.00 0.00 C ATOM 427 CG2 ILE A 27 -6.606 -7.122 5.965 1.00 0.00 C ATOM 428 CD1 ILE A 27 -6.897 -9.417 7.814 1.00 0.00 C ATOM 0 H ILE A 27 -6.946 -6.768 9.915 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.919 -7.211 8.023 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.683 -6.061 7.473 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.775 -7.966 9.099 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.644 -8.221 7.599 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.501 -7.393 5.405 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.177 -6.212 5.546 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.878 -7.930 5.898 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.448 -10.237 8.273 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.792 -9.604 6.745 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.909 -9.344 8.269 1.00 0.00 H new ATOM 440 N TYR A 28 -6.045 -4.106 8.299 1.00 0.00 N ATOM 441 CA TYR A 28 -5.773 -2.707 7.988 1.00 0.00 C ATOM 442 C TYR A 28 -4.352 -2.324 8.386 1.00 0.00 C ATOM 443 O TYR A 28 -3.608 -1.745 7.596 1.00 0.00 O ATOM 444 CB TYR A 28 -6.777 -1.813 8.712 1.00 0.00 C ATOM 445 CG TYR A 28 -6.655 -0.345 8.377 1.00 0.00 C ATOM 446 CD1 TYR A 28 -6.862 0.104 7.082 1.00 0.00 C ATOM 447 CD2 TYR A 28 -6.343 0.589 9.356 1.00 0.00 C ATOM 448 CE1 TYR A 28 -6.761 1.446 6.767 1.00 0.00 C ATOM 449 CE2 TYR A 28 -6.240 1.932 9.050 1.00 0.00 C ATOM 450 CZ TYR A 28 -6.448 2.356 7.755 1.00 0.00 C ATOM 451 OH TYR A 28 -6.346 3.693 7.446 1.00 0.00 O ATOM 0 H TYR A 28 -6.849 -4.249 8.910 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.873 -2.568 6.912 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.785 -2.147 8.468 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -6.650 -1.940 9.787 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -7.106 -0.607 6.306 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.178 0.261 10.372 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.926 1.780 5.753 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -5.997 2.647 9.822 1.00 0.00 H new ATOM 0 HH TYR A 28 -6.121 4.199 8.254 1.00 0.00 H new ATOM 461 N ARG A 29 -3.986 -2.651 9.621 1.00 0.00 N ATOM 462 CA ARG A 29 -2.663 -2.344 10.143 1.00 0.00 C ATOM 463 C ARG A 29 -1.560 -2.960 9.285 1.00 0.00 C ATOM 464 O ARG A 29 -0.644 -2.265 8.851 1.00 0.00 O ATOM 465 CB ARG A 29 -2.548 -2.860 11.576 1.00 0.00 C ATOM 466 CG ARG A 29 -3.300 -2.023 12.604 1.00 0.00 C ATOM 467 CD ARG A 29 -4.770 -1.843 12.247 1.00 0.00 C ATOM 468 NE ARG A 29 -5.470 -0.998 13.213 1.00 0.00 N ATOM 469 CZ ARG A 29 -5.192 0.288 13.413 1.00 0.00 C ATOM 470 NH1 ARG A 29 -4.241 0.886 12.706 1.00 0.00 N ATOM 471 NH2 ARG A 29 -5.869 0.981 14.317 1.00 0.00 N ATOM 0 H ARG A 29 -4.595 -3.133 10.283 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.536 -1.262 10.123 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.923 -3.883 11.613 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.495 -2.896 11.854 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.222 -2.499 13.582 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.827 -1.044 12.687 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.850 -1.401 11.254 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.254 -2.819 12.202 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.216 -1.419 13.767 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.719 0.360 12.005 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.032 1.872 12.863 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.604 0.529 14.861 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.655 1.967 14.469 1.00 0.00 H new ATOM 485 N SER A 30 -1.654 -4.266 9.056 1.00 0.00 N ATOM 486 CA SER A 30 -0.659 -4.981 8.257 1.00 0.00 C ATOM 487 C SER A 30 -0.432 -4.301 6.909 1.00 0.00 C ATOM 488 O SER A 30 0.703 -4.013 6.535 1.00 0.00 O ATOM 489 CB SER A 30 -1.099 -6.430 8.043 1.00 0.00 C ATOM 490 OG SER A 30 -1.226 -7.113 9.278 1.00 0.00 O ATOM 0 H SER A 30 -2.409 -4.853 9.412 1.00 0.00 H new ATOM 0 HA SER A 30 0.283 -4.966 8.805 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.052 -6.449 7.514 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.373 -6.944 7.413 1.00 0.00 H new ATOM 0 HG SER A 30 -2.070 -6.859 9.707 1.00 0.00 H new ATOM 496 N PHE A 31 -1.520 -4.043 6.188 1.00 0.00 N ATOM 497 CA PHE A 31 -1.447 -3.391 4.884 1.00 0.00 C ATOM 498 C PHE A 31 -0.639 -2.098 4.960 1.00 0.00 C ATOM 499 O PHE A 31 0.259 -1.860 4.148 1.00 0.00 O ATOM 500 CB PHE A 31 -2.861 -3.089 4.382 1.00 0.00 C ATOM 501 CG PHE A 31 -2.904 -2.257 3.132 1.00 0.00 C ATOM 502 CD1 PHE A 31 -2.356 -2.726 1.949 1.00 0.00 C ATOM 503 CD2 PHE A 31 -3.495 -1.004 3.145 1.00 0.00 C ATOM 504 CE1 PHE A 31 -2.399 -1.959 0.799 1.00 0.00 C ATOM 505 CE2 PHE A 31 -3.539 -0.232 2.000 1.00 0.00 C ATOM 506 CZ PHE A 31 -2.991 -0.710 0.825 1.00 0.00 C ATOM 0 H PHE A 31 -2.467 -4.277 6.487 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.945 -4.065 4.190 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.378 -4.031 4.197 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.411 -2.573 5.168 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.891 -3.700 1.925 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.926 -0.626 4.060 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.971 -2.335 -0.118 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.001 0.744 2.023 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.025 -0.109 -0.072 1.00 0.00 H new ATOM 516 N LEU A 32 -0.969 -1.267 5.944 1.00 0.00 N ATOM 517 CA LEU A 32 -0.285 0.004 6.133 1.00 0.00 C ATOM 518 C LEU A 32 1.194 -0.208 6.425 1.00 0.00 C ATOM 519 O LEU A 32 2.043 0.503 5.895 1.00 0.00 O ATOM 520 CB LEU A 32 -0.940 0.793 7.265 1.00 0.00 C ATOM 521 CG LEU A 32 -2.430 1.072 7.076 1.00 0.00 C ATOM 522 CD1 LEU A 32 -2.980 1.854 8.255 1.00 0.00 C ATOM 523 CD2 LEU A 32 -2.667 1.824 5.777 1.00 0.00 C ATOM 0 H LEU A 32 -1.707 -1.453 6.623 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.369 0.575 5.208 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.803 0.245 8.197 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.418 1.744 7.375 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.956 0.119 7.023 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.043 2.043 8.102 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.842 1.278 9.170 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.451 2.803 8.341 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.733 2.015 5.657 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.129 2.772 5.802 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.309 1.225 4.939 1.00 0.00 H new ATOM 535 N GLU A 33 1.497 -1.196 7.264 1.00 0.00 N ATOM 536 CA GLU A 33 2.879 -1.503 7.613 1.00 0.00 C ATOM 537 C GLU A 33 3.664 -1.897 6.370 1.00 0.00 C ATOM 538 O GLU A 33 4.849 -1.596 6.255 1.00 0.00 O ATOM 539 CB GLU A 33 2.937 -2.631 8.647 1.00 0.00 C ATOM 540 CG GLU A 33 2.213 -2.311 9.947 1.00 0.00 C ATOM 541 CD GLU A 33 2.840 -1.156 10.707 1.00 0.00 C ATOM 542 OE1 GLU A 33 3.877 -0.630 10.247 1.00 0.00 O ATOM 543 OE2 GLU A 33 2.297 -0.780 11.766 1.00 0.00 O ATOM 0 H GLU A 33 0.805 -1.796 7.713 1.00 0.00 H new ATOM 0 HA GLU A 33 3.328 -0.609 8.047 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.503 -3.532 8.213 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.981 -2.855 8.869 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.172 -2.072 9.727 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.209 -3.197 10.582 1.00 0.00 H new ATOM 550 N ILE A 34 2.992 -2.566 5.438 1.00 0.00 N ATOM 551 CA ILE A 34 3.625 -2.990 4.196 1.00 0.00 C ATOM 552 C ILE A 34 4.100 -1.782 3.402 1.00 0.00 C ATOM 553 O ILE A 34 5.297 -1.616 3.145 1.00 0.00 O ATOM 554 CB ILE A 34 2.652 -3.805 3.337 1.00 0.00 C ATOM 555 CG1 ILE A 34 2.237 -5.065 4.093 1.00 0.00 C ATOM 556 CG2 ILE A 34 3.286 -4.157 1.998 1.00 0.00 C ATOM 557 CD1 ILE A 34 1.186 -5.869 3.378 1.00 0.00 C ATOM 0 H ILE A 34 2.009 -2.826 5.520 1.00 0.00 H new ATOM 0 HA ILE A 34 4.480 -3.614 4.456 1.00 0.00 H new ATOM 0 HB ILE A 34 1.763 -3.207 3.136 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.116 -5.690 4.254 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.862 -4.783 5.077 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.580 -4.736 1.402 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.545 -3.241 1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.187 -4.746 2.166 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.937 -6.750 3.969 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.293 -5.260 3.241 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.566 -6.181 2.405 1.00 0.00 H new ATOM 569 N LEU A 35 3.151 -0.926 3.037 1.00 0.00 N ATOM 570 CA LEU A 35 3.463 0.287 2.295 1.00 0.00 C ATOM 571 C LEU A 35 4.452 1.130 3.086 1.00 0.00 C ATOM 572 O LEU A 35 5.358 1.746 2.525 1.00 0.00 O ATOM 573 CB LEU A 35 2.189 1.089 2.025 1.00 0.00 C ATOM 574 CG LEU A 35 1.187 0.432 1.074 1.00 0.00 C ATOM 575 CD1 LEU A 35 -0.128 1.193 1.089 1.00 0.00 C ATOM 576 CD2 LEU A 35 1.750 0.378 -0.341 1.00 0.00 C ATOM 0 H LEU A 35 2.160 -1.051 3.244 1.00 0.00 H new ATOM 0 HA LEU A 35 3.908 0.012 1.339 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.691 1.278 2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.471 2.059 1.615 1.00 0.00 H new ATOM 0 HG LEU A 35 1.006 -0.588 1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.833 0.715 0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.539 1.189 2.098 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.043 2.222 0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.024 -0.092 -1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.957 1.390 -0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.673 -0.202 -0.344 1.00 0.00 H new ATOM 588 N HIS A 36 4.263 1.141 4.401 1.00 0.00 N ATOM 589 CA HIS A 36 5.123 1.891 5.302 1.00 0.00 C ATOM 590 C HIS A 36 6.559 1.377 5.247 1.00 0.00 C ATOM 591 O HIS A 36 7.503 2.161 5.209 1.00 0.00 O ATOM 592 CB HIS A 36 4.585 1.806 6.733 1.00 0.00 C ATOM 593 CG HIS A 36 4.061 3.108 7.251 1.00 0.00 C ATOM 594 ND1 HIS A 36 4.824 4.255 7.317 1.00 0.00 N ATOM 595 CD2 HIS A 36 2.841 3.441 7.731 1.00 0.00 C ATOM 596 CE1 HIS A 36 4.094 5.238 7.815 1.00 0.00 C ATOM 597 NE2 HIS A 36 2.887 4.769 8.074 1.00 0.00 N ATOM 0 H HIS A 36 3.513 0.632 4.868 1.00 0.00 H new ATOM 0 HA HIS A 36 5.125 2.933 4.982 1.00 0.00 H new ATOM 0 HB2 HIS A 36 3.789 1.062 6.770 1.00 0.00 H new ATOM 0 HB3 HIS A 36 5.380 1.455 7.391 1.00 0.00 H new ATOM 0 HD2 HIS A 36 1.989 2.784 7.827 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.428 6.252 7.982 1.00 0.00 H new ATOM 0 HE2 HIS A 36 2.114 5.307 8.466 1.00 0.00 H new ATOM 606 N THR A 37 6.715 0.057 5.238 1.00 0.00 N ATOM 607 CA THR A 37 8.036 -0.556 5.181 1.00 0.00 C ATOM 608 C THR A 37 8.793 -0.071 3.955 1.00 0.00 C ATOM 609 O THR A 37 9.982 0.241 4.023 1.00 0.00 O ATOM 610 CB THR A 37 7.939 -2.096 5.139 1.00 0.00 C ATOM 611 OG1 THR A 37 7.318 -2.582 6.335 1.00 0.00 O ATOM 612 CG2 THR A 37 9.315 -2.729 4.984 1.00 0.00 C ATOM 0 H THR A 37 5.942 -0.608 5.269 1.00 0.00 H new ATOM 0 HA THR A 37 8.572 -0.263 6.084 1.00 0.00 H new ATOM 0 HB THR A 37 7.334 -2.372 4.276 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.359 -2.379 6.312 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.215 -3.814 4.957 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.772 -2.384 4.057 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.944 -2.443 5.827 1.00 0.00 H new ATOM 939 N GLU A 57 8.310 -6.445 -3.266 1.00 0.00 N ATOM 940 CA GLU A 57 7.962 -6.891 -1.922 1.00 0.00 C ATOM 941 C GLU A 57 6.566 -6.428 -1.529 1.00 0.00 C ATOM 942 O GLU A 57 5.732 -7.230 -1.114 1.00 0.00 O ATOM 943 CB GLU A 57 8.969 -6.362 -0.906 1.00 0.00 C ATOM 944 CG GLU A 57 8.704 -6.840 0.514 1.00 0.00 C ATOM 945 CD GLU A 57 9.119 -8.283 0.731 1.00 0.00 C ATOM 946 OE1 GLU A 57 9.620 -8.908 -0.228 1.00 0.00 O ATOM 947 OE2 GLU A 57 8.941 -8.789 1.859 1.00 0.00 O ATOM 0 HA GLU A 57 7.983 -7.981 -1.925 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.971 -6.671 -1.204 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.953 -5.272 -0.923 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.242 -6.202 1.215 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.642 -6.734 0.737 1.00 0.00 H new ATOM 954 N VAL A 58 6.322 -5.126 -1.649 1.00 0.00 N ATOM 955 CA VAL A 58 5.031 -4.550 -1.289 1.00 0.00 C ATOM 956 C VAL A 58 3.891 -5.271 -1.996 1.00 0.00 C ATOM 957 O VAL A 58 2.873 -5.589 -1.384 1.00 0.00 O ATOM 958 CB VAL A 58 4.969 -3.053 -1.637 1.00 0.00 C ATOM 959 CG1 VAL A 58 3.672 -2.441 -1.132 1.00 0.00 C ATOM 960 CG2 VAL A 58 6.172 -2.324 -1.061 1.00 0.00 C ATOM 0 H VAL A 58 7.003 -4.449 -1.993 1.00 0.00 H new ATOM 0 HA VAL A 58 4.920 -4.671 -0.211 1.00 0.00 H new ATOM 0 HB VAL A 58 4.994 -2.948 -2.722 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.646 -1.382 -1.387 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.826 -2.947 -1.597 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.613 -2.555 -0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.113 -1.266 -1.316 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.180 -2.436 0.023 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.087 -2.747 -1.476 1.00 0.00 H new ATOM 970 N PHE A 59 4.072 -5.533 -3.283 1.00 0.00 N ATOM 971 CA PHE A 59 3.060 -6.227 -4.067 1.00 0.00 C ATOM 972 C PHE A 59 2.790 -7.607 -3.480 1.00 0.00 C ATOM 973 O PHE A 59 1.651 -8.073 -3.463 1.00 0.00 O ATOM 974 CB PHE A 59 3.509 -6.358 -5.525 1.00 0.00 C ATOM 975 CG PHE A 59 2.508 -7.059 -6.403 1.00 0.00 C ATOM 976 CD1 PHE A 59 1.178 -6.667 -6.413 1.00 0.00 C ATOM 977 CD2 PHE A 59 2.900 -8.106 -7.221 1.00 0.00 C ATOM 978 CE1 PHE A 59 0.259 -7.308 -7.220 1.00 0.00 C ATOM 979 CE2 PHE A 59 1.984 -8.752 -8.030 1.00 0.00 C ATOM 980 CZ PHE A 59 0.662 -8.352 -8.029 1.00 0.00 C ATOM 0 H PHE A 59 4.909 -5.276 -3.806 1.00 0.00 H new ATOM 0 HA PHE A 59 2.140 -5.643 -4.035 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.700 -5.364 -5.928 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.453 -6.902 -5.558 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.857 -5.851 -5.782 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.933 -8.421 -7.227 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.774 -6.993 -7.218 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.302 -9.568 -8.662 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.056 -8.855 -8.660 1.00 0.00 H new ATOM 990 N THR A 60 3.849 -8.254 -3.005 1.00 0.00 N ATOM 991 CA THR A 60 3.740 -9.585 -2.420 1.00 0.00 C ATOM 992 C THR A 60 3.064 -9.547 -1.050 1.00 0.00 C ATOM 993 O THR A 60 2.120 -10.293 -0.797 1.00 0.00 O ATOM 994 CB THR A 60 5.128 -10.242 -2.284 1.00 0.00 C ATOM 995 OG1 THR A 60 5.744 -10.354 -3.571 1.00 0.00 O ATOM 996 CG2 THR A 60 5.025 -11.619 -1.648 1.00 0.00 C ATOM 0 H THR A 60 4.796 -7.876 -3.014 1.00 0.00 H new ATOM 0 HA THR A 60 3.123 -10.177 -3.096 1.00 0.00 H new ATOM 0 HB THR A 60 5.738 -9.609 -1.639 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.626 -10.771 -3.476 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.020 -12.057 -1.565 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.585 -11.529 -0.655 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.397 -12.260 -2.267 1.00 0.00 H new ATOM 1004 N GLU A 61 3.558 -8.679 -0.171 1.00 0.00 N ATOM 1005 CA GLU A 61 3.013 -8.544 1.177 1.00 0.00 C ATOM 1006 C GLU A 61 1.532 -8.184 1.147 1.00 0.00 C ATOM 1007 O GLU A 61 0.721 -8.802 1.838 1.00 0.00 O ATOM 1008 CB GLU A 61 3.796 -7.484 1.956 1.00 0.00 C ATOM 1009 CG GLU A 61 5.265 -7.825 2.148 1.00 0.00 C ATOM 1010 CD GLU A 61 5.481 -9.059 3.006 1.00 0.00 C ATOM 1011 OE1 GLU A 61 4.481 -9.635 3.486 1.00 0.00 O ATOM 1012 OE2 GLU A 61 6.651 -9.446 3.202 1.00 0.00 O ATOM 0 H GLU A 61 4.340 -8.055 -0.370 1.00 0.00 H new ATOM 0 HA GLU A 61 3.113 -9.507 1.677 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.719 -6.531 1.432 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.333 -7.349 2.934 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.726 -7.982 1.173 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.772 -6.977 2.607 1.00 0.00 H new ATOM 1019 N VAL A 62 1.179 -7.187 0.340 1.00 0.00 N ATOM 1020 CA VAL A 62 -0.210 -6.760 0.224 1.00 0.00 C ATOM 1021 C VAL A 62 -1.058 -7.880 -0.363 1.00 0.00 C ATOM 1022 O VAL A 62 -2.168 -8.142 0.101 1.00 0.00 O ATOM 1023 CB VAL A 62 -0.345 -5.499 -0.655 1.00 0.00 C ATOM 1024 CG1 VAL A 62 -1.804 -5.096 -0.799 1.00 0.00 C ATOM 1025 CG2 VAL A 62 0.473 -4.355 -0.075 1.00 0.00 C ATOM 0 H VAL A 62 1.833 -6.662 -0.241 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.563 -6.518 1.226 1.00 0.00 H new ATOM 0 HB VAL A 62 0.042 -5.731 -1.647 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.875 -4.205 -1.423 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.362 -5.909 -1.263 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.222 -4.885 0.185 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.366 -3.474 -0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.117 -4.126 0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.523 -4.644 -0.031 1.00 0.00 H new ATOM 1035 N ALA A 63 -0.519 -8.552 -1.378 1.00 0.00 N ATOM 1036 CA ALA A 63 -1.216 -9.661 -2.016 1.00 0.00 C ATOM 1037 C ALA A 63 -1.469 -10.771 -1.002 1.00 0.00 C ATOM 1038 O ALA A 63 -2.537 -11.382 -0.984 1.00 0.00 O ATOM 1039 CB ALA A 63 -0.410 -10.190 -3.192 1.00 0.00 C ATOM 0 H ALA A 63 0.398 -8.346 -1.775 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.175 -9.303 -2.391 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.945 -11.018 -3.657 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.268 -9.394 -3.923 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.561 -10.538 -2.840 1.00 0.00 H new ATOM 1045 N ASN A 64 -0.474 -11.011 -0.152 1.00 0.00 N ATOM 1046 CA ASN A 64 -0.571 -12.030 0.884 1.00 0.00 C ATOM 1047 C ASN A 64 -1.752 -11.741 1.808 1.00 0.00 C ATOM 1048 O ASN A 64 -2.485 -12.649 2.202 1.00 0.00 O ATOM 1049 CB ASN A 64 0.734 -12.099 1.687 1.00 0.00 C ATOM 1050 CG ASN A 64 1.846 -12.811 0.935 1.00 0.00 C ATOM 1051 OD1 ASN A 64 2.996 -12.154 0.785 1.00 0.00 O flip ATOM 1052 ND2 ASN A 64 1.679 -13.950 0.501 1.00 0.00 N flip ATOM 0 H ASN A 64 0.414 -10.509 -0.163 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.736 -12.996 0.406 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.058 -11.088 1.935 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.550 -12.615 2.629 1.00 0.00 H new ATOM 0 HD21 ASN A 64 0.784 -14.421 0.635 1.00 0.00 H new ATOM 0 HD22 ASN A 64 2.435 -14.423 0.007 1.00 0.00 H new ATOM 1059 N LEU A 65 -1.938 -10.466 2.133 1.00 0.00 N ATOM 1060 CA LEU A 65 -3.033 -10.036 2.992 1.00 0.00 C ATOM 1061 C LEU A 65 -4.376 -10.214 2.299 1.00 0.00 C ATOM 1062 O LEU A 65 -5.236 -10.968 2.756 1.00 0.00 O ATOM 1063 CB LEU A 65 -2.853 -8.564 3.339 1.00 0.00 C ATOM 1064 CG LEU A 65 -2.211 -8.273 4.690 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -1.856 -6.801 4.773 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -3.154 -8.659 5.818 1.00 0.00 C ATOM 0 H LEU A 65 -1.338 -9.707 1.810 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.019 -10.648 3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.246 -8.099 2.562 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.830 -8.082 3.311 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.301 -8.865 4.791 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.397 -6.591 5.739 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.156 -6.550 3.976 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.760 -6.202 4.664 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.681 -8.445 6.777 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.077 -8.086 5.733 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.381 -9.723 5.755 1.00 0.00 H new ATOM 1078 N PHE A 66 -4.541 -9.489 1.201 1.00 0.00 N ATOM 1079 CA PHE A 66 -5.771 -9.521 0.419 1.00 0.00 C ATOM 1080 C PHE A 66 -5.886 -10.807 -0.400 1.00 0.00 C ATOM 1081 O PHE A 66 -6.304 -10.773 -1.559 1.00 0.00 O ATOM 1082 CB PHE A 66 -5.816 -8.310 -0.518 1.00 0.00 C ATOM 1083 CG PHE A 66 -5.896 -6.973 0.175 1.00 0.00 C ATOM 1084 CD1 PHE A 66 -5.730 -6.857 1.552 1.00 0.00 C ATOM 1085 CD2 PHE A 66 -6.130 -5.822 -0.562 1.00 0.00 C ATOM 1086 CE1 PHE A 66 -5.802 -5.624 2.172 1.00 0.00 C ATOM 1087 CE2 PHE A 66 -6.202 -4.587 0.055 1.00 0.00 C ATOM 1088 CZ PHE A 66 -6.039 -4.489 1.423 1.00 0.00 C ATOM 0 H PHE A 66 -3.828 -8.863 0.827 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.611 -9.489 1.113 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.927 -8.323 -1.148 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.677 -8.412 -1.179 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.543 -7.741 2.143 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.258 -5.891 -1.632 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.673 -5.549 3.242 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.386 -3.699 -0.532 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.097 -3.525 1.906 1.00 0.00 H new ATOM 1098 N ARG A 67 -5.522 -11.935 0.198 1.00 0.00 N ATOM 1099 CA ARG A 67 -5.597 -13.216 -0.493 1.00 0.00 C ATOM 1100 C ARG A 67 -7.045 -13.557 -0.828 1.00 0.00 C ATOM 1101 O ARG A 67 -7.933 -13.427 0.015 1.00 0.00 O ATOM 1102 CB ARG A 67 -4.977 -14.323 0.361 1.00 0.00 C ATOM 1103 CG ARG A 67 -4.891 -15.661 -0.354 1.00 0.00 C ATOM 1104 CD ARG A 67 -4.269 -16.728 0.531 1.00 0.00 C ATOM 1105 NE ARG A 67 -5.062 -16.973 1.731 1.00 0.00 N ATOM 1106 CZ ARG A 67 -4.739 -17.869 2.659 1.00 0.00 C ATOM 1107 NH1 ARG A 67 -3.639 -18.600 2.526 1.00 0.00 N ATOM 1108 NH2 ARG A 67 -5.513 -18.035 3.722 1.00 0.00 N ATOM 0 H ARG A 67 -5.174 -11.989 1.155 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.033 -13.138 -1.423 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.976 -14.018 0.667 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.566 -14.443 1.270 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.889 -15.976 -0.659 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.300 -15.551 -1.263 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.170 -17.655 -0.034 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.263 -16.420 0.818 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.912 -16.426 1.866 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.039 -18.475 1.711 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.394 -19.287 3.239 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -6.359 -17.475 3.830 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.263 -18.723 4.432 1.00 0.00 H new ATOM 1122 N GLY A 68 -7.277 -13.984 -2.065 1.00 0.00 N ATOM 1123 CA GLY A 68 -8.622 -14.326 -2.492 1.00 0.00 C ATOM 1124 C GLY A 68 -9.437 -13.100 -2.860 1.00 0.00 C ATOM 1125 O GLY A 68 -10.156 -13.102 -3.860 1.00 0.00 O ATOM 0 H GLY A 68 -6.558 -14.099 -2.779 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.569 -14.996 -3.350 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.127 -14.870 -1.694 1.00 0.00 H new ATOM 1129 N GLN A 69 -9.316 -12.049 -2.053 1.00 0.00 N ATOM 1130 CA GLN A 69 -10.035 -10.803 -2.295 1.00 0.00 C ATOM 1131 C GLN A 69 -9.311 -9.963 -3.343 1.00 0.00 C ATOM 1132 O GLN A 69 -8.953 -8.811 -3.095 1.00 0.00 O ATOM 1133 CB GLN A 69 -10.182 -10.021 -0.990 1.00 0.00 C ATOM 1134 CG GLN A 69 -10.971 -10.770 0.072 1.00 0.00 C ATOM 1135 CD GLN A 69 -11.064 -10.008 1.377 1.00 0.00 C ATOM 1136 OE1 GLN A 69 -11.548 -8.877 1.416 1.00 0.00 O ATOM 1137 NE2 GLN A 69 -10.600 -10.629 2.456 1.00 0.00 N ATOM 0 H GLN A 69 -8.724 -12.037 -1.223 1.00 0.00 H new ATOM 0 HA GLN A 69 -11.029 -11.040 -2.675 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -9.191 -9.788 -0.600 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.675 -9.071 -1.197 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -11.976 -10.969 -0.300 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -10.501 -11.737 0.253 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -10.207 -11.567 2.375 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.636 -10.168 3.365 1.00 0.00 H new ATOM 1146 N GLU A 70 -9.090 -10.558 -4.510 1.00 0.00 N ATOM 1147 CA GLU A 70 -8.396 -9.889 -5.606 1.00 0.00 C ATOM 1148 C GLU A 70 -9.122 -8.621 -6.057 1.00 0.00 C ATOM 1149 O GLU A 70 -8.623 -7.892 -6.916 1.00 0.00 O ATOM 1150 CB GLU A 70 -8.243 -10.844 -6.791 1.00 0.00 C ATOM 1151 CG GLU A 70 -7.467 -12.109 -6.456 1.00 0.00 C ATOM 1152 CD GLU A 70 -7.339 -13.043 -7.643 1.00 0.00 C ATOM 1153 OE1 GLU A 70 -8.385 -13.485 -8.165 1.00 0.00 O ATOM 1154 OE2 GLU A 70 -6.195 -13.334 -8.049 1.00 0.00 O ATOM 0 H GLU A 70 -9.384 -11.511 -4.723 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.413 -9.596 -5.237 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.233 -11.120 -7.155 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.738 -10.323 -7.605 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.472 -11.838 -6.102 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.965 -12.631 -5.639 1.00 0.00 H new ATOM 1161 N ASP A 71 -10.294 -8.354 -5.483 1.00 0.00 N ATOM 1162 CA ASP A 71 -11.058 -7.165 -5.846 1.00 0.00 C ATOM 1163 C ASP A 71 -10.260 -5.909 -5.528 1.00 0.00 C ATOM 1164 O ASP A 71 -10.034 -5.065 -6.397 1.00 0.00 O ATOM 1165 CB ASP A 71 -12.391 -7.142 -5.106 1.00 0.00 C ATOM 1166 CG ASP A 71 -13.210 -5.906 -5.421 1.00 0.00 C ATOM 1167 OD1 ASP A 71 -13.556 -5.709 -6.606 1.00 0.00 O ATOM 1168 OD2 ASP A 71 -13.508 -5.136 -4.484 1.00 0.00 O ATOM 0 H ASP A 71 -10.731 -8.940 -4.771 1.00 0.00 H new ATOM 0 HA ASP A 71 -11.255 -7.194 -6.918 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.964 -8.031 -5.370 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -12.208 -7.188 -4.033 1.00 0.00 H new ATOM 1173 N LEU A 72 -9.812 -5.806 -4.283 1.00 0.00 N ATOM 1174 CA LEU A 72 -9.011 -4.671 -3.846 1.00 0.00 C ATOM 1175 C LEU A 72 -7.623 -4.761 -4.463 1.00 0.00 C ATOM 1176 O LEU A 72 -6.997 -3.748 -4.790 1.00 0.00 O ATOM 1177 CB LEU A 72 -8.909 -4.654 -2.322 1.00 0.00 C ATOM 1178 CG LEU A 72 -10.251 -4.638 -1.588 1.00 0.00 C ATOM 1179 CD1 LEU A 72 -10.042 -4.827 -0.093 1.00 0.00 C ATOM 1180 CD2 LEU A 72 -10.992 -3.338 -1.862 1.00 0.00 C ATOM 0 H LEU A 72 -9.991 -6.498 -3.556 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.490 -3.748 -4.172 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.346 -5.530 -2.000 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.336 -3.777 -2.020 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.857 -5.465 -1.959 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.007 -4.813 0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.551 -5.783 0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.418 -4.020 0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.945 -3.344 -1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.390 -2.497 -1.518 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.173 -3.241 -2.933 1.00 0.00 H new ATOM 1192 N LEU A 73 -7.160 -5.996 -4.628 1.00 0.00 N ATOM 1193 CA LEU A 73 -5.866 -6.270 -5.210 1.00 0.00 C ATOM 1194 C LEU A 73 -5.747 -5.582 -6.559 1.00 0.00 C ATOM 1195 O LEU A 73 -4.694 -5.064 -6.922 1.00 0.00 O ATOM 1196 CB LEU A 73 -5.717 -7.774 -5.396 1.00 0.00 C ATOM 1197 CG LEU A 73 -4.366 -8.375 -4.995 1.00 0.00 C ATOM 1198 CD1 LEU A 73 -3.220 -7.436 -5.339 1.00 0.00 C ATOM 1199 CD2 LEU A 73 -4.359 -8.706 -3.515 1.00 0.00 C ATOM 0 H LEU A 73 -7.679 -6.832 -4.359 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.084 -5.895 -4.550 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.497 -8.270 -4.818 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.899 -8.009 -6.445 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.222 -9.295 -5.562 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.275 -7.891 -5.042 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.212 -7.250 -6.413 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.351 -6.493 -4.809 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.394 -9.132 -3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.530 -7.797 -2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.148 -9.427 -3.300 1.00 0.00 H new ATOM 1211 N SER A 74 -6.852 -5.595 -7.296 1.00 0.00 N ATOM 1212 CA SER A 74 -6.914 -4.985 -8.613 1.00 0.00 C ATOM 1213 C SER A 74 -6.556 -3.506 -8.545 1.00 0.00 C ATOM 1214 O SER A 74 -5.827 -2.994 -9.395 1.00 0.00 O ATOM 1215 CB SER A 74 -8.317 -5.157 -9.190 1.00 0.00 C ATOM 1216 OG SER A 74 -8.398 -4.629 -10.504 1.00 0.00 O ATOM 0 H SER A 74 -7.726 -6.028 -6.996 1.00 0.00 H new ATOM 0 HA SER A 74 -6.190 -5.480 -9.260 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.581 -6.214 -9.203 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.041 -4.656 -8.548 1.00 0.00 H new ATOM 0 HG SER A 74 -9.306 -4.753 -10.851 1.00 0.00 H new ATOM 1222 N GLU A 75 -7.070 -2.824 -7.526 1.00 0.00 N ATOM 1223 CA GLU A 75 -6.800 -1.405 -7.346 1.00 0.00 C ATOM 1224 C GLU A 75 -5.314 -1.164 -7.116 1.00 0.00 C ATOM 1225 O GLU A 75 -4.686 -0.379 -7.821 1.00 0.00 O ATOM 1226 CB GLU A 75 -7.612 -0.857 -6.181 1.00 0.00 C ATOM 1227 CG GLU A 75 -9.106 -0.851 -6.449 1.00 0.00 C ATOM 1228 CD GLU A 75 -9.499 0.058 -7.599 1.00 0.00 C ATOM 1229 OE1 GLU A 75 -8.612 0.746 -8.147 1.00 0.00 O ATOM 1230 OE2 GLU A 75 -10.698 0.089 -7.946 1.00 0.00 O ATOM 0 H GLU A 75 -7.675 -3.232 -6.814 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.095 -0.881 -8.255 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.411 -1.455 -5.292 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.284 0.159 -5.963 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.434 -1.867 -6.668 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.630 -0.534 -5.547 1.00 0.00 H new ATOM 1237 N PHE A 76 -4.756 -1.855 -6.132 1.00 0.00 N ATOM 1238 CA PHE A 76 -3.336 -1.728 -5.816 1.00 0.00 C ATOM 1239 C PHE A 76 -2.476 -2.091 -7.023 1.00 0.00 C ATOM 1240 O PHE A 76 -1.440 -1.476 -7.276 1.00 0.00 O ATOM 1241 CB PHE A 76 -2.979 -2.636 -4.640 1.00 0.00 C ATOM 1242 CG PHE A 76 -1.544 -2.537 -4.201 1.00 0.00 C ATOM 1243 CD1 PHE A 76 -0.947 -1.301 -3.995 1.00 0.00 C ATOM 1244 CD2 PHE A 76 -0.790 -3.681 -3.989 1.00 0.00 C ATOM 1245 CE1 PHE A 76 0.369 -1.210 -3.587 1.00 0.00 C ATOM 1246 CE2 PHE A 76 0.527 -3.596 -3.580 1.00 0.00 C ATOM 1247 CZ PHE A 76 1.108 -2.358 -3.379 1.00 0.00 C ATOM 0 H PHE A 76 -5.263 -2.510 -5.537 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.138 -0.690 -5.547 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.624 -2.390 -3.796 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.193 -3.669 -4.914 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.519 -0.399 -4.156 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.238 -4.651 -4.146 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.820 -0.241 -3.431 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.102 -4.496 -3.418 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.137 -2.289 -3.060 1.00 0.00 H new ATOM 1257 N GLY A 77 -2.911 -3.117 -7.744 1.00 0.00 N ATOM 1258 CA GLY A 77 -2.181 -3.597 -8.905 1.00 0.00 C ATOM 1259 C GLY A 77 -1.947 -2.540 -9.972 1.00 0.00 C ATOM 1260 O GLY A 77 -0.824 -2.385 -10.450 1.00 0.00 O ATOM 0 H GLY A 77 -3.768 -3.632 -7.542 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.217 -3.988 -8.579 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.729 -4.429 -9.347 1.00 0.00 H new ATOM 1423 N ILE B 2 3.014 5.450 -4.410 1.00 0.00 N ATOM 1424 CA ILE B 2 2.924 4.770 -3.121 1.00 0.00 C ATOM 1425 C ILE B 2 2.790 5.761 -1.963 1.00 0.00 C ATOM 1426 O ILE B 2 2.051 5.510 -1.011 1.00 0.00 O ATOM 1427 CB ILE B 2 4.135 3.850 -2.891 1.00 0.00 C ATOM 1428 CG1 ILE B 2 4.125 2.691 -3.894 1.00 0.00 C ATOM 1429 CG2 ILE B 2 4.158 3.326 -1.462 1.00 0.00 C ATOM 1430 CD1 ILE B 2 2.859 1.859 -3.857 1.00 0.00 C ATOM 0 HA ILE B 2 2.022 4.159 -3.149 1.00 0.00 H new ATOM 0 HB ILE B 2 5.041 4.435 -3.048 1.00 0.00 H new ATOM 0 HG12 ILE B 2 4.256 3.092 -4.899 1.00 0.00 H new ATOM 0 HG13 ILE B 2 4.979 2.044 -3.695 1.00 0.00 H new ATOM 0 HG21 ILE B 2 5.024 2.678 -1.326 1.00 0.00 H new ATOM 0 HG22 ILE B 2 4.219 4.164 -0.768 1.00 0.00 H new ATOM 0 HG23 ILE B 2 3.247 2.760 -1.267 1.00 0.00 H new ATOM 0 HD11 ILE B 2 2.928 1.059 -4.594 1.00 0.00 H new ATOM 0 HD12 ILE B 2 2.736 1.427 -2.864 1.00 0.00 H new ATOM 0 HD13 ILE B 2 2.001 2.491 -4.086 1.00 0.00 H new ATOM 1442 N GLN B 3 3.489 6.890 -2.053 1.00 0.00 N ATOM 1443 CA GLN B 3 3.426 7.909 -1.018 1.00 0.00 C ATOM 1444 C GLN B 3 1.985 8.349 -0.815 1.00 0.00 C ATOM 1445 O GLN B 3 1.583 8.718 0.287 1.00 0.00 O ATOM 1446 CB GLN B 3 4.310 9.104 -1.392 1.00 0.00 C ATOM 1447 CG GLN B 3 3.977 9.725 -2.743 1.00 0.00 C ATOM 1448 CD GLN B 3 2.818 10.706 -2.690 1.00 0.00 C ATOM 1449 OE1 GLN B 3 2.366 11.045 -1.486 1.00 0.00 O flip ATOM 1450 NE2 GLN B 3 2.344 11.173 -3.726 1.00 0.00 N flip ATOM 0 H GLN B 3 4.105 7.119 -2.834 1.00 0.00 H new ATOM 0 HA GLN B 3 3.799 7.490 -0.083 1.00 0.00 H new ATOM 0 HB2 GLN B 3 4.216 9.868 -0.620 1.00 0.00 H new ATOM 0 HB3 GLN B 3 5.352 8.784 -1.398 1.00 0.00 H new ATOM 0 HG2 GLN B 3 4.859 10.238 -3.126 1.00 0.00 H new ATOM 0 HG3 GLN B 3 3.738 8.931 -3.450 1.00 0.00 H new ATOM 0 HE21 GLN B 3 2.718 10.888 -4.631 1.00 0.00 H new ATOM 0 HE22 GLN B 3 1.578 11.845 -3.679 1.00 0.00 H new ATOM 1459 N MET B 4 1.213 8.297 -1.894 1.00 0.00 N ATOM 1460 CA MET B 4 -0.191 8.676 -1.854 1.00 0.00 C ATOM 1461 C MET B 4 -0.950 7.812 -0.851 1.00 0.00 C ATOM 1462 O MET B 4 -1.786 8.311 -0.099 1.00 0.00 O ATOM 1463 CB MET B 4 -0.821 8.535 -3.242 1.00 0.00 C ATOM 1464 CG MET B 4 -0.108 9.338 -4.319 1.00 0.00 C ATOM 1465 SD MET B 4 -0.900 9.193 -5.934 1.00 0.00 S ATOM 1466 CE MET B 4 -0.757 7.432 -6.227 1.00 0.00 C ATOM 0 H MET B 4 1.540 7.994 -2.812 1.00 0.00 H new ATOM 0 HA MET B 4 -0.255 9.718 -1.540 1.00 0.00 H new ATOM 0 HB2 MET B 4 -0.822 7.483 -3.526 1.00 0.00 H new ATOM 0 HB3 MET B 4 -1.862 8.853 -3.193 1.00 0.00 H new ATOM 0 HG2 MET B 4 -0.080 10.387 -4.025 1.00 0.00 H new ATOM 0 HG3 MET B 4 0.926 9.000 -4.394 1.00 0.00 H new ATOM 0 HE1 MET B 4 -0.882 7.229 -7.291 1.00 0.00 H new ATOM 0 HE2 MET B 4 0.226 7.088 -5.905 1.00 0.00 H new ATOM 0 HE3 MET B 4 -1.528 6.906 -5.664 1.00 0.00 H new ATOM 1476 N LEU B 5 -0.651 6.515 -0.847 1.00 0.00 N ATOM 1477 CA LEU B 5 -1.308 5.586 0.066 1.00 0.00 C ATOM 1478 C LEU B 5 -0.845 5.809 1.505 1.00 0.00 C ATOM 1479 O LEU B 5 -1.669 5.882 2.416 1.00 0.00 O ATOM 1480 CB LEU B 5 -1.069 4.136 -0.367 1.00 0.00 C ATOM 1481 CG LEU B 5 -1.683 3.758 -1.721 1.00 0.00 C ATOM 1482 CD1 LEU B 5 -1.512 2.273 -1.994 1.00 0.00 C ATOM 1483 CD2 LEU B 5 -3.158 4.136 -1.768 1.00 0.00 C ATOM 0 H LEU B 5 0.039 6.086 -1.463 1.00 0.00 H new ATOM 0 HA LEU B 5 -2.380 5.779 0.027 1.00 0.00 H new ATOM 0 HB2 LEU B 5 0.005 3.957 -0.409 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -1.473 3.472 0.397 1.00 0.00 H new ATOM 0 HG LEU B 5 -1.157 4.315 -2.497 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -1.955 2.027 -2.959 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -0.451 2.025 -2.008 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.008 1.700 -1.211 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -3.574 3.859 -2.737 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -3.694 3.609 -0.979 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -3.263 5.211 -1.622 1.00 0.00 H new ATOM 1495 N LEU B 6 0.469 5.940 1.709 1.00 0.00 N ATOM 1496 CA LEU B 6 0.996 6.184 3.051 1.00 0.00 C ATOM 1497 C LEU B 6 0.376 7.448 3.625 1.00 0.00 C ATOM 1498 O LEU B 6 -0.011 7.497 4.793 1.00 0.00 O ATOM 1499 CB LEU B 6 2.526 6.325 3.042 1.00 0.00 C ATOM 1500 CG LEU B 6 3.326 5.017 3.027 1.00 0.00 C ATOM 1501 CD1 LEU B 6 2.830 4.067 4.106 1.00 0.00 C ATOM 1502 CD2 LEU B 6 3.269 4.354 1.663 1.00 0.00 C ATOM 0 H LEU B 6 1.175 5.882 0.975 1.00 0.00 H new ATOM 0 HA LEU B 6 0.738 5.325 3.671 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.811 6.911 2.168 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.822 6.898 3.921 1.00 0.00 H new ATOM 0 HG LEU B 6 4.367 5.262 3.238 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.412 3.146 4.076 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.943 4.536 5.084 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.779 3.837 3.933 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.845 3.429 1.684 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.233 4.130 1.410 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.688 5.026 0.914 1.00 0.00 H new ATOM 1514 N GLU B 7 0.282 8.468 2.781 1.00 0.00 N ATOM 1515 CA GLU B 7 -0.295 9.745 3.168 1.00 0.00 C ATOM 1516 C GLU B 7 -1.790 9.581 3.435 1.00 0.00 C ATOM 1517 O GLU B 7 -2.334 10.159 4.377 1.00 0.00 O ATOM 1518 CB GLU B 7 -0.059 10.772 2.053 1.00 0.00 C ATOM 1519 CG GLU B 7 -0.245 12.221 2.486 1.00 0.00 C ATOM 1520 CD GLU B 7 -1.644 12.519 2.989 1.00 0.00 C ATOM 1521 OE1 GLU B 7 -2.607 12.315 2.220 1.00 0.00 O ATOM 1522 OE2 GLU B 7 -1.778 12.954 4.151 1.00 0.00 O ATOM 0 H GLU B 7 0.603 8.432 1.813 1.00 0.00 H new ATOM 0 HA GLU B 7 0.183 10.098 4.082 1.00 0.00 H new ATOM 0 HB2 GLU B 7 0.953 10.647 1.668 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -0.741 10.561 1.230 1.00 0.00 H new ATOM 0 HG2 GLU B 7 0.474 12.454 3.272 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -0.021 12.877 1.644 1.00 0.00 H new ATOM 1529 N ALA B 8 -2.442 8.783 2.593 1.00 0.00 N ATOM 1530 CA ALA B 8 -3.873 8.529 2.714 1.00 0.00 C ATOM 1531 C ALA B 8 -4.227 7.955 4.081 1.00 0.00 C ATOM 1532 O ALA B 8 -5.185 8.394 4.718 1.00 0.00 O ATOM 1533 CB ALA B 8 -4.327 7.581 1.614 1.00 0.00 C ATOM 0 H ALA B 8 -1.997 8.298 1.814 1.00 0.00 H new ATOM 0 HA ALA B 8 -4.393 9.481 2.609 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -5.397 7.396 1.711 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -4.123 8.028 0.641 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -3.787 6.638 1.700 1.00 0.00 H new ATOM 1539 N ALA B 9 -3.453 6.969 4.526 1.00 0.00 N ATOM 1540 CA ALA B 9 -3.691 6.334 5.817 1.00 0.00 C ATOM 1541 C ALA B 9 -3.685 7.360 6.943 1.00 0.00 C ATOM 1542 O ALA B 9 -4.536 7.325 7.830 1.00 0.00 O ATOM 1543 CB ALA B 9 -2.646 5.260 6.078 1.00 0.00 C ATOM 0 H ALA B 9 -2.656 6.593 4.012 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.676 5.869 5.788 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -2.836 4.795 7.045 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -2.698 4.504 5.295 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -1.654 5.711 6.081 1.00 0.00 H new ATOM 1549 N ASP B 10 -2.723 8.275 6.898 1.00 0.00 N ATOM 1550 CA ASP B 10 -2.608 9.315 7.913 1.00 0.00 C ATOM 1551 C ASP B 10 -3.842 10.213 7.911 1.00 0.00 C ATOM 1552 O ASP B 10 -4.325 10.624 8.966 1.00 0.00 O ATOM 1553 CB ASP B 10 -1.352 10.153 7.672 1.00 0.00 C ATOM 1554 CG ASP B 10 -1.176 11.246 8.709 1.00 0.00 C ATOM 1555 OD1 ASP B 10 -1.067 10.915 9.908 1.00 0.00 O ATOM 1556 OD2 ASP B 10 -1.150 12.433 8.320 1.00 0.00 O ATOM 0 H ASP B 10 -2.011 8.317 6.169 1.00 0.00 H new ATOM 0 HA ASP B 10 -2.533 8.833 8.888 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.477 9.502 7.682 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -1.403 10.602 6.680 1.00 0.00 H new ATOM 1561 N TYR B 11 -4.343 10.513 6.719 1.00 0.00 N ATOM 1562 CA TYR B 11 -5.518 11.365 6.570 1.00 0.00 C ATOM 1563 C TYR B 11 -6.750 10.737 7.217 1.00 0.00 C ATOM 1564 O TYR B 11 -7.375 11.336 8.092 1.00 0.00 O ATOM 1565 CB TYR B 11 -5.794 11.622 5.087 1.00 0.00 C ATOM 1566 CG TYR B 11 -7.093 12.355 4.830 1.00 0.00 C ATOM 1567 CD1 TYR B 11 -7.348 13.589 5.415 1.00 0.00 C ATOM 1568 CD2 TYR B 11 -8.069 11.805 4.007 1.00 0.00 C ATOM 1569 CE1 TYR B 11 -8.536 14.255 5.186 1.00 0.00 C ATOM 1570 CE2 TYR B 11 -9.259 12.466 3.773 1.00 0.00 C ATOM 1571 CZ TYR B 11 -9.488 13.690 4.365 1.00 0.00 C ATOM 1572 OH TYR B 11 -10.674 14.350 4.137 1.00 0.00 O ATOM 0 H TYR B 11 -3.953 10.178 5.838 1.00 0.00 H new ATOM 0 HA TYR B 11 -5.311 12.308 7.075 1.00 0.00 H new ATOM 0 HB2 TYR B 11 -4.971 12.201 4.668 1.00 0.00 H new ATOM 0 HB3 TYR B 11 -5.814 10.668 4.559 1.00 0.00 H new ATOM 0 HD1 TYR B 11 -6.605 14.035 6.060 1.00 0.00 H new ATOM 0 HD2 TYR B 11 -7.894 10.846 3.543 1.00 0.00 H new ATOM 0 HE1 TYR B 11 -8.718 15.214 5.648 1.00 0.00 H new ATOM 0 HE2 TYR B 11 -10.007 12.026 3.129 1.00 0.00 H new ATOM 0 HH TYR B 11 -11.235 13.817 3.535 1.00 0.00 H new ATOM 1582 N LEU B 12 -7.097 9.534 6.772 1.00 0.00 N ATOM 1583 CA LEU B 12 -8.263 8.831 7.299 1.00 0.00 C ATOM 1584 C LEU B 12 -8.124 8.569 8.796 1.00 0.00 C ATOM 1585 O LEU B 12 -9.046 8.830 9.569 1.00 0.00 O ATOM 1586 CB LEU B 12 -8.468 7.510 6.553 1.00 0.00 C ATOM 1587 CG LEU B 12 -8.785 7.646 5.061 1.00 0.00 C ATOM 1588 CD1 LEU B 12 -8.894 6.272 4.418 1.00 0.00 C ATOM 1589 CD2 LEU B 12 -10.070 8.433 4.855 1.00 0.00 C ATOM 0 H LEU B 12 -6.589 9.025 6.049 1.00 0.00 H new ATOM 0 HA LEU B 12 -9.134 9.468 7.146 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -7.568 6.906 6.663 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -9.280 6.963 7.032 1.00 0.00 H new ATOM 0 HG LEU B 12 -7.971 8.191 4.583 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -9.120 6.383 3.357 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -7.950 5.740 4.534 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -9.691 5.706 4.901 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -10.277 8.518 3.788 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -10.895 7.917 5.345 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -9.959 9.429 5.284 1.00 0.00 H new ATOM 1601 N GLU B 13 -6.967 8.053 9.198 1.00 0.00 N ATOM 1602 CA GLU B 13 -6.709 7.758 10.604 1.00 0.00 C ATOM 1603 C GLU B 13 -6.709 9.036 11.436 1.00 0.00 C ATOM 1604 O GLU B 13 -6.009 9.995 11.047 1.00 0.00 O ATOM 1605 CB GLU B 13 -5.371 7.031 10.757 1.00 0.00 C ATOM 1606 CG GLU B 13 -5.034 6.669 12.195 1.00 0.00 C ATOM 1607 CD GLU B 13 -3.714 5.933 12.315 1.00 0.00 C ATOM 1608 OE1 GLU B 13 -3.585 4.844 11.717 1.00 0.00 O ATOM 1609 OE2 GLU B 13 -2.809 6.446 13.006 1.00 0.00 O ATOM 1610 OXT GLU B 13 -7.410 9.070 12.469 1.00 0.00 O ATOM 0 H GLU B 13 -6.194 7.830 8.571 1.00 0.00 H new ATOM 0 HA GLU B 13 -7.507 7.111 10.968 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -5.391 6.121 10.158 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -4.577 7.660 10.354 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -4.995 7.578 12.795 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -5.831 6.049 12.606 1.00 0.00 H new