USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 500 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 13:sc= -3.22! USER MOD Single : A 15 ASN : amide:sc= -0.488 K(o=-0.49,f=-2.5!) USER MOD Single : A 16 LYS NZ :NH3+ 162:sc= -0.226 (180deg=-0.857) USER MOD Single : A 18 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0675) 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=-0.00352 USER MOD Single : A 30 SER OG : rot 76:sc= 1.27 USER MOD Single : A 36 HIS : no HD1:sc= -0.0185 X(o=-0.019,f=-0.13) USER MOD Single : A 37 THR OG1 : rot 53:sc= 1.28 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -7.03! C(o=-7!,f=-9.5!) USER MOD Single : A 69 GLN : amide:sc= 0.0971 K(o=0.097,f=-0.47) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : B 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 MET CE :methyl 154:sc= -0.241 (180deg=-0.967) USER MOD Single : B 11 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 131 N ALA A 10 -6.644 7.825 -4.370 1.00 0.00 N ATOM 132 CA ALA A 10 -5.899 6.945 -3.482 1.00 0.00 C ATOM 133 C ALA A 10 -6.652 6.722 -2.171 1.00 0.00 C ATOM 134 O ALA A 10 -6.729 5.597 -1.665 1.00 0.00 O ATOM 135 CB ALA A 10 -4.522 7.531 -3.206 1.00 0.00 C ATOM 0 HA ALA A 10 -5.785 5.979 -3.973 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.971 6.867 -2.541 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.978 7.639 -4.144 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.630 8.508 -2.735 1.00 0.00 H new ATOM 141 N ILE A 11 -7.197 7.807 -1.621 1.00 0.00 N ATOM 142 CA ILE A 11 -7.934 7.744 -0.364 1.00 0.00 C ATOM 143 C ILE A 11 -9.000 6.663 -0.399 1.00 0.00 C ATOM 144 O ILE A 11 -9.119 5.870 0.532 1.00 0.00 O ATOM 145 CB ILE A 11 -8.625 9.081 -0.035 1.00 0.00 C ATOM 146 CG1 ILE A 11 -7.611 10.225 0.021 1.00 0.00 C ATOM 147 CG2 ILE A 11 -9.377 8.965 1.280 1.00 0.00 C ATOM 148 CD1 ILE A 11 -6.542 10.054 1.079 1.00 0.00 C ATOM 0 H ILE A 11 -7.141 8.740 -2.029 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.195 7.516 0.405 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.336 9.308 -0.829 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.131 10.318 -0.953 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.143 11.159 0.205 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.863 9.914 1.506 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.130 8.181 1.200 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.678 8.716 2.078 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.864 10.907 1.052 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.009 9.992 2.062 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.982 9.139 0.886 1.00 0.00 H new ATOM 160 N SER A 12 -9.785 6.649 -1.467 1.00 0.00 N ATOM 161 CA SER A 12 -10.856 5.676 -1.614 1.00 0.00 C ATOM 162 C SER A 12 -10.326 4.254 -1.488 1.00 0.00 C ATOM 163 O SER A 12 -10.996 3.387 -0.929 1.00 0.00 O ATOM 164 CB SER A 12 -11.566 5.856 -2.956 1.00 0.00 C ATOM 165 OG SER A 12 -10.670 5.663 -4.037 1.00 0.00 O ATOM 0 H SER A 12 -9.699 7.302 -2.246 1.00 0.00 H new ATOM 0 HA SER A 12 -11.573 5.846 -0.811 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.391 5.148 -3.032 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.998 6.855 -3.011 1.00 0.00 H new ATOM 0 HG SER A 12 -11.149 5.782 -4.884 1.00 0.00 H new ATOM 171 N TYR A 13 -9.122 4.013 -2.001 1.00 0.00 N ATOM 172 CA TYR A 13 -8.529 2.685 -1.921 1.00 0.00 C ATOM 173 C TYR A 13 -8.326 2.294 -0.464 1.00 0.00 C ATOM 174 O TYR A 13 -8.714 1.206 -0.039 1.00 0.00 O ATOM 175 CB TYR A 13 -7.188 2.637 -2.656 1.00 0.00 C ATOM 176 CG TYR A 13 -6.578 1.252 -2.690 1.00 0.00 C ATOM 177 CD1 TYR A 13 -7.314 0.161 -3.137 1.00 0.00 C ATOM 178 CD2 TYR A 13 -5.271 1.034 -2.270 1.00 0.00 C ATOM 179 CE1 TYR A 13 -6.767 -1.107 -3.164 1.00 0.00 C ATOM 180 CE2 TYR A 13 -4.718 -0.233 -2.292 1.00 0.00 C ATOM 181 CZ TYR A 13 -5.471 -1.299 -2.740 1.00 0.00 C ATOM 182 OH TYR A 13 -4.927 -2.563 -2.759 1.00 0.00 O ATOM 0 H TYR A 13 -8.546 4.711 -2.470 1.00 0.00 H new ATOM 0 HA TYR A 13 -9.210 1.980 -2.398 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -7.328 2.991 -3.677 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.491 3.322 -2.173 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -8.331 0.307 -3.469 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.679 1.867 -1.921 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -7.353 -1.943 -3.516 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.702 -0.388 -1.960 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.502 -3.159 -3.283 1.00 0.00 H new ATOM 192 N VAL A 14 -7.720 3.201 0.294 1.00 0.00 N ATOM 193 CA VAL A 14 -7.462 2.972 1.710 1.00 0.00 C ATOM 194 C VAL A 14 -8.766 2.895 2.497 1.00 0.00 C ATOM 195 O VAL A 14 -8.899 2.107 3.433 1.00 0.00 O ATOM 196 CB VAL A 14 -6.586 4.095 2.296 1.00 0.00 C ATOM 197 CG1 VAL A 14 -6.176 3.769 3.724 1.00 0.00 C ATOM 198 CG2 VAL A 14 -5.367 4.328 1.417 1.00 0.00 C ATOM 0 H VAL A 14 -7.397 4.105 -0.051 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.935 2.022 1.795 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.171 5.015 2.319 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.558 4.576 4.118 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.067 3.659 4.342 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.609 2.838 3.736 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.757 5.124 1.844 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.779 3.412 1.360 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.690 4.615 0.416 1.00 0.00 H new ATOM 208 N ASN A 15 -9.718 3.730 2.105 1.00 0.00 N ATOM 209 CA ASN A 15 -11.022 3.790 2.755 1.00 0.00 C ATOM 210 C ASN A 15 -11.795 2.486 2.571 1.00 0.00 C ATOM 211 O ASN A 15 -12.393 1.972 3.516 1.00 0.00 O ATOM 212 CB ASN A 15 -11.819 4.969 2.188 1.00 0.00 C ATOM 213 CG ASN A 15 -13.196 5.107 2.812 1.00 0.00 C ATOM 214 OD1 ASN A 15 -14.030 4.207 2.713 1.00 0.00 O ATOM 215 ND2 ASN A 15 -13.440 6.242 3.454 1.00 0.00 N ATOM 0 H ASN A 15 -9.610 4.384 1.330 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.871 3.933 3.825 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.259 5.890 2.349 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -11.925 4.844 1.110 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -14.349 6.396 3.891 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.719 6.961 3.511 1.00 0.00 H new ATOM 222 N LYS A 16 -11.783 1.957 1.350 1.00 0.00 N ATOM 223 CA LYS A 16 -12.486 0.714 1.049 1.00 0.00 C ATOM 224 C LYS A 16 -11.839 -0.460 1.774 1.00 0.00 C ATOM 225 O LYS A 16 -12.526 -1.342 2.287 1.00 0.00 O ATOM 226 CB LYS A 16 -12.497 0.457 -0.459 1.00 0.00 C ATOM 227 CG LYS A 16 -13.303 -0.766 -0.863 1.00 0.00 C ATOM 228 CD LYS A 16 -13.244 -1.003 -2.355 1.00 0.00 C ATOM 229 CE LYS A 16 -14.219 -2.088 -2.761 1.00 0.00 C ATOM 230 NZ LYS A 16 -15.605 -1.785 -2.310 1.00 0.00 N ATOM 0 H LYS A 16 -11.295 2.369 0.555 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.514 0.813 1.396 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.903 1.333 -0.965 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.471 0.336 -0.806 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.922 -1.643 -0.339 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -14.341 -0.637 -0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.478 -0.080 -2.885 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.233 -1.289 -2.644 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -14.206 -2.201 -3.845 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.899 -3.040 -2.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -16.280 -2.365 -2.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -15.695 -2.000 -1.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -15.810 -0.778 -2.470 1.00 0.00 H new ATOM 244 N ILE A 17 -10.512 -0.462 1.816 1.00 0.00 N ATOM 245 CA ILE A 17 -9.771 -1.522 2.486 1.00 0.00 C ATOM 246 C ILE A 17 -10.128 -1.576 3.968 1.00 0.00 C ATOM 247 O ILE A 17 -10.323 -2.652 4.533 1.00 0.00 O ATOM 248 CB ILE A 17 -8.249 -1.319 2.328 1.00 0.00 C ATOM 249 CG1 ILE A 17 -7.844 -1.509 0.863 1.00 0.00 C ATOM 250 CG2 ILE A 17 -7.479 -2.274 3.230 1.00 0.00 C ATOM 251 CD1 ILE A 17 -6.381 -1.227 0.594 1.00 0.00 C ATOM 0 H ILE A 17 -9.927 0.259 1.394 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.050 -2.466 2.017 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.000 -0.302 2.630 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -8.069 -2.533 0.563 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.452 -0.853 0.239 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.409 -2.113 3.101 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.751 -2.092 4.270 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.725 -3.302 2.965 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.169 -1.383 -0.464 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.154 -0.195 0.862 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.765 -1.900 1.190 1.00 0.00 H new ATOM 263 N LYS A 18 -10.213 -0.404 4.586 1.00 0.00 N ATOM 264 CA LYS A 18 -10.549 -0.301 5.999 1.00 0.00 C ATOM 265 C LYS A 18 -11.969 -0.782 6.255 1.00 0.00 C ATOM 266 O LYS A 18 -12.205 -1.659 7.087 1.00 0.00 O ATOM 267 CB LYS A 18 -10.405 1.150 6.456 1.00 0.00 C ATOM 268 CG LYS A 18 -10.642 1.353 7.942 1.00 0.00 C ATOM 269 CD LYS A 18 -10.410 2.800 8.343 1.00 0.00 C ATOM 270 CE LYS A 18 -11.345 3.742 7.606 1.00 0.00 C ATOM 271 NZ LYS A 18 -11.141 5.160 8.012 1.00 0.00 N ATOM 0 H LYS A 18 -10.053 0.493 4.127 1.00 0.00 H new ATOM 0 HA LYS A 18 -9.865 -0.933 6.565 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.404 1.502 6.206 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.108 1.768 5.898 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.662 1.062 8.193 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.976 0.704 8.511 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.557 2.908 9.418 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.376 3.075 8.133 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.185 3.646 6.532 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.378 3.454 7.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.672 5.784 7.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.479 5.294 8.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.129 5.393 7.962 1.00 0.00 H new ATOM 285 N THR A 19 -12.909 -0.193 5.531 1.00 0.00 N ATOM 286 CA THR A 19 -14.320 -0.544 5.665 1.00 0.00 C ATOM 287 C THR A 19 -14.558 -2.015 5.344 1.00 0.00 C ATOM 288 O THR A 19 -15.481 -2.635 5.871 1.00 0.00 O ATOM 289 CB THR A 19 -15.207 0.325 4.750 1.00 0.00 C ATOM 290 OG1 THR A 19 -16.589 0.102 5.052 1.00 0.00 O ATOM 291 CG2 THR A 19 -14.955 0.009 3.284 1.00 0.00 C ATOM 0 H THR A 19 -12.721 0.534 4.841 1.00 0.00 H new ATOM 0 HA THR A 19 -14.593 -0.357 6.704 1.00 0.00 H new ATOM 0 HB THR A 19 -14.954 1.370 4.930 1.00 0.00 H new ATOM 0 HG1 THR A 19 -17.145 0.658 4.468 1.00 0.00 H new ATOM 0 HG21 THR A 19 -15.594 0.636 2.662 1.00 0.00 H new ATOM 0 HG22 THR A 19 -13.910 0.204 3.044 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.181 -1.040 3.094 1.00 0.00 H new ATOM 299 N ARG A 20 -13.725 -2.570 4.472 1.00 0.00 N ATOM 300 CA ARG A 20 -13.852 -3.967 4.083 1.00 0.00 C ATOM 301 C ARG A 20 -13.580 -4.895 5.264 1.00 0.00 C ATOM 302 O ARG A 20 -14.417 -5.724 5.620 1.00 0.00 O ATOM 303 CB ARG A 20 -12.889 -4.286 2.935 1.00 0.00 C ATOM 304 CG ARG A 20 -12.792 -5.767 2.608 1.00 0.00 C ATOM 305 CD ARG A 20 -14.154 -6.360 2.291 1.00 0.00 C ATOM 306 NE ARG A 20 -14.755 -5.753 1.107 1.00 0.00 N ATOM 307 CZ ARG A 20 -14.230 -5.833 -0.113 1.00 0.00 C ATOM 308 NH1 ARG A 20 -13.112 -6.518 -0.316 1.00 0.00 N ATOM 309 NH2 ARG A 20 -14.827 -5.234 -1.132 1.00 0.00 N ATOM 0 H ARG A 20 -12.956 -2.074 4.022 1.00 0.00 H new ATOM 0 HA ARG A 20 -14.876 -4.131 3.749 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.210 -3.747 2.044 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.897 -3.915 3.192 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.126 -5.909 1.757 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.351 -6.298 3.451 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.054 -7.434 2.136 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.817 -6.221 3.145 1.00 0.00 H new ATOM 0 HE ARG A 20 -15.628 -5.238 1.222 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.652 -6.986 0.465 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.713 -6.577 -1.253 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.690 -4.711 -0.982 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -14.424 -5.296 -2.067 1.00 0.00 H new ATOM 323 N PHE A 21 -12.401 -4.756 5.856 1.00 0.00 N ATOM 324 CA PHE A 21 -12.010 -5.590 6.986 1.00 0.00 C ATOM 325 C PHE A 21 -12.307 -4.916 8.329 1.00 0.00 C ATOM 326 O PHE A 21 -11.484 -4.966 9.244 1.00 0.00 O ATOM 327 CB PHE A 21 -10.521 -5.931 6.910 1.00 0.00 C ATOM 328 CG PHE A 21 -10.114 -6.659 5.658 1.00 0.00 C ATOM 329 CD1 PHE A 21 -9.909 -5.970 4.474 1.00 0.00 C ATOM 330 CD2 PHE A 21 -9.927 -8.032 5.672 1.00 0.00 C ATOM 331 CE1 PHE A 21 -9.522 -6.638 3.326 1.00 0.00 C ATOM 332 CE2 PHE A 21 -9.542 -8.705 4.530 1.00 0.00 C ATOM 333 CZ PHE A 21 -9.337 -8.007 3.356 1.00 0.00 C ATOM 0 H PHE A 21 -11.698 -4.073 5.573 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.602 -6.503 6.926 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -9.945 -5.008 6.983 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.256 -6.541 7.773 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.053 -4.900 4.447 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -10.084 -8.582 6.588 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.365 -6.091 2.408 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -9.401 -9.776 4.554 1.00 0.00 H new ATOM 0 HZ PHE A 21 -9.032 -8.531 2.462 1.00 0.00 H new ATOM 343 N LEU A 22 -13.479 -4.297 8.453 1.00 0.00 N ATOM 344 CA LEU A 22 -13.858 -3.637 9.702 1.00 0.00 C ATOM 345 C LEU A 22 -13.780 -4.608 10.877 1.00 0.00 C ATOM 346 O LEU A 22 -13.425 -4.223 11.992 1.00 0.00 O ATOM 347 CB LEU A 22 -15.269 -3.056 9.601 1.00 0.00 C ATOM 348 CG LEU A 22 -15.401 -1.822 8.707 1.00 0.00 C ATOM 349 CD1 LEU A 22 -16.853 -1.378 8.623 1.00 0.00 C ATOM 350 CD2 LEU A 22 -14.526 -0.689 9.226 1.00 0.00 C ATOM 0 H LEU A 22 -14.177 -4.238 7.712 1.00 0.00 H new ATOM 0 HA LEU A 22 -13.154 -2.823 9.875 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -15.938 -3.830 9.226 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -15.611 -2.798 10.603 1.00 0.00 H new ATOM 0 HG LEU A 22 -15.063 -2.086 7.705 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -16.928 -0.499 7.983 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -17.456 -2.184 8.205 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -17.217 -1.133 9.621 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -14.633 0.180 8.577 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -14.833 -0.426 10.238 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.484 -1.009 9.235 1.00 0.00 H new ATOM 362 N ASP A 23 -14.112 -5.867 10.616 1.00 0.00 N ATOM 363 CA ASP A 23 -14.079 -6.900 11.646 1.00 0.00 C ATOM 364 C ASP A 23 -12.640 -7.301 11.954 1.00 0.00 C ATOM 365 O ASP A 23 -12.289 -7.548 13.107 1.00 0.00 O ATOM 366 CB ASP A 23 -14.882 -8.121 11.197 1.00 0.00 C ATOM 367 CG ASP A 23 -14.958 -9.202 12.260 1.00 0.00 C ATOM 368 OD1 ASP A 23 -14.446 -8.979 13.378 1.00 0.00 O ATOM 369 OD2 ASP A 23 -15.537 -10.272 11.977 1.00 0.00 O ATOM 0 H ASP A 23 -14.408 -6.198 9.698 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.529 -6.498 12.554 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.892 -7.808 10.932 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.430 -8.536 10.296 1.00 0.00 H new ATOM 374 N HIS A 24 -11.814 -7.369 10.910 1.00 0.00 N ATOM 375 CA HIS A 24 -10.417 -7.737 11.047 1.00 0.00 C ATOM 376 C HIS A 24 -9.504 -6.516 10.892 1.00 0.00 C ATOM 377 O HIS A 24 -8.902 -6.318 9.838 1.00 0.00 O ATOM 378 CB HIS A 24 -10.068 -8.784 9.997 1.00 0.00 C ATOM 379 CG HIS A 24 -10.779 -10.087 10.187 1.00 0.00 C ATOM 380 ND1 HIS A 24 -10.599 -10.889 11.294 1.00 0.00 N ATOM 381 CD2 HIS A 24 -11.677 -10.726 9.403 1.00 0.00 C ATOM 382 CE1 HIS A 24 -11.355 -11.966 11.182 1.00 0.00 C ATOM 383 NE2 HIS A 24 -12.020 -11.891 10.043 1.00 0.00 N ATOM 0 H HIS A 24 -12.099 -7.170 9.951 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.262 -8.147 12.045 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -10.308 -8.390 9.010 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -8.993 -8.961 10.016 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -12.054 -10.383 8.451 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -11.419 -12.771 11.899 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -12.681 -12.586 9.696 1.00 0.00 H new ATOM 392 N PRO A 25 -9.385 -5.679 11.940 1.00 0.00 N ATOM 393 CA PRO A 25 -8.535 -4.484 11.906 1.00 0.00 C ATOM 394 C PRO A 25 -7.076 -4.821 11.622 1.00 0.00 C ATOM 395 O PRO A 25 -6.353 -4.027 11.022 1.00 0.00 O ATOM 396 CB PRO A 25 -8.683 -3.886 13.305 1.00 0.00 C ATOM 397 CG PRO A 25 -9.193 -5.003 14.149 1.00 0.00 C ATOM 398 CD PRO A 25 -10.053 -5.829 13.241 1.00 0.00 C ATOM 0 HA PRO A 25 -8.832 -3.802 11.110 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.729 -3.513 13.678 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.376 -3.044 13.303 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.372 -5.593 14.557 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.766 -4.625 14.996 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.093 -6.871 13.558 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.080 -5.465 13.214 1.00 0.00 H new ATOM 406 N GLU A 26 -6.652 -6.004 12.058 1.00 0.00 N ATOM 407 CA GLU A 26 -5.279 -6.451 11.852 1.00 0.00 C ATOM 408 C GLU A 26 -4.887 -6.347 10.381 1.00 0.00 C ATOM 409 O GLU A 26 -3.736 -6.060 10.056 1.00 0.00 O ATOM 410 CB GLU A 26 -5.109 -7.891 12.342 1.00 0.00 C ATOM 411 CG GLU A 26 -6.019 -8.889 11.642 1.00 0.00 C ATOM 412 CD GLU A 26 -5.830 -10.308 12.145 1.00 0.00 C ATOM 413 OE1 GLU A 26 -4.981 -10.515 13.038 1.00 0.00 O ATOM 414 OE2 GLU A 26 -6.530 -11.213 11.644 1.00 0.00 O ATOM 0 H GLU A 26 -7.241 -6.671 12.557 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.621 -5.801 12.429 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.072 -8.194 12.196 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.304 -7.926 13.414 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.057 -8.592 11.788 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.827 -8.860 10.570 1.00 0.00 H new ATOM 421 N ILE A 27 -5.853 -6.579 9.498 1.00 0.00 N ATOM 422 CA ILE A 27 -5.611 -6.508 8.061 1.00 0.00 C ATOM 423 C ILE A 27 -5.250 -5.084 7.651 1.00 0.00 C ATOM 424 O ILE A 27 -4.272 -4.858 6.938 1.00 0.00 O ATOM 425 CB ILE A 27 -6.854 -6.943 7.266 1.00 0.00 C ATOM 426 CG1 ILE A 27 -7.523 -8.149 7.934 1.00 0.00 C ATOM 427 CG2 ILE A 27 -6.475 -7.264 5.826 1.00 0.00 C ATOM 428 CD1 ILE A 27 -6.764 -9.449 7.791 1.00 0.00 C ATOM 0 H ILE A 27 -6.811 -6.818 9.752 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.785 -7.183 7.838 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.568 -6.120 7.257 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.653 -7.934 8.995 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.519 -8.276 7.510 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.364 -7.570 5.275 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.045 -6.379 5.357 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.744 -8.073 5.814 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.311 -10.247 8.294 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.656 -9.693 6.734 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.777 -9.346 8.242 1.00 0.00 H new ATOM 440 N TYR A 28 -6.053 -4.129 8.115 1.00 0.00 N ATOM 441 CA TYR A 28 -5.836 -2.716 7.815 1.00 0.00 C ATOM 442 C TYR A 28 -4.457 -2.290 8.284 1.00 0.00 C ATOM 443 O TYR A 28 -3.636 -1.802 7.507 1.00 0.00 O ATOM 444 CB TYR A 28 -6.891 -1.875 8.532 1.00 0.00 C ATOM 445 CG TYR A 28 -6.944 -0.426 8.091 1.00 0.00 C ATOM 446 CD1 TYR A 28 -6.921 -0.083 6.744 1.00 0.00 C ATOM 447 CD2 TYR A 28 -7.025 0.597 9.027 1.00 0.00 C ATOM 448 CE1 TYR A 28 -6.975 1.239 6.345 1.00 0.00 C ATOM 449 CE2 TYR A 28 -7.081 1.922 8.634 1.00 0.00 C ATOM 450 CZ TYR A 28 -7.055 2.237 7.292 1.00 0.00 C ATOM 451 OH TYR A 28 -7.110 3.553 6.898 1.00 0.00 O ATOM 0 H TYR A 28 -6.865 -4.310 8.704 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.912 -2.567 6.738 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.870 -2.327 8.370 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -6.698 -1.909 9.604 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.860 -0.862 5.998 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -7.045 0.354 10.079 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.955 1.489 5.295 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.145 2.706 9.374 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.165 4.129 7.689 1.00 0.00 H new ATOM 461 N ARG A 29 -4.226 -2.488 9.572 1.00 0.00 N ATOM 462 CA ARG A 29 -2.957 -2.144 10.200 1.00 0.00 C ATOM 463 C ARG A 29 -1.778 -2.713 9.416 1.00 0.00 C ATOM 464 O ARG A 29 -0.865 -1.982 9.035 1.00 0.00 O ATOM 465 CB ARG A 29 -2.932 -2.686 11.628 1.00 0.00 C ATOM 466 CG ARG A 29 -3.900 -1.988 12.575 1.00 0.00 C ATOM 467 CD ARG A 29 -3.361 -0.647 13.056 1.00 0.00 C ATOM 468 NE ARG A 29 -3.159 0.299 11.963 1.00 0.00 N ATOM 469 CZ ARG A 29 -2.693 1.535 12.135 1.00 0.00 C ATOM 470 NH1 ARG A 29 -2.399 1.974 13.352 1.00 0.00 N ATOM 471 NH2 ARG A 29 -2.526 2.332 11.091 1.00 0.00 N ATOM 0 H ARG A 29 -4.911 -2.891 10.212 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.865 -1.058 10.211 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.166 -3.750 11.605 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.921 -2.591 12.024 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.854 -1.835 12.070 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.093 -2.630 13.434 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.055 -0.219 13.779 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.416 -0.804 13.575 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.387 -0.003 11.016 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.530 1.365 14.159 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.042 2.921 13.480 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.754 2.000 10.154 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.169 3.278 11.224 1.00 0.00 H new ATOM 485 N SER A 30 -1.808 -4.022 9.185 1.00 0.00 N ATOM 486 CA SER A 30 -0.741 -4.703 8.454 1.00 0.00 C ATOM 487 C SER A 30 -0.479 -4.045 7.101 1.00 0.00 C ATOM 488 O SER A 30 0.662 -3.718 6.777 1.00 0.00 O ATOM 489 CB SER A 30 -1.096 -6.179 8.257 1.00 0.00 C ATOM 490 OG SER A 30 -1.221 -6.843 9.502 1.00 0.00 O ATOM 0 H SER A 30 -2.562 -4.635 9.494 1.00 0.00 H new ATOM 0 HA SER A 30 0.170 -4.625 9.047 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.031 -6.261 7.702 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.326 -6.665 7.658 1.00 0.00 H new ATOM 0 HG SER A 30 -2.070 -6.592 9.923 1.00 0.00 H new ATOM 496 N PHE A 31 -1.538 -3.851 6.317 1.00 0.00 N ATOM 497 CA PHE A 31 -1.415 -3.228 5.000 1.00 0.00 C ATOM 498 C PHE A 31 -0.688 -1.891 5.096 1.00 0.00 C ATOM 499 O PHE A 31 0.273 -1.637 4.365 1.00 0.00 O ATOM 500 CB PHE A 31 -2.798 -3.020 4.378 1.00 0.00 C ATOM 501 CG PHE A 31 -2.776 -2.179 3.131 1.00 0.00 C ATOM 502 CD1 PHE A 31 -2.079 -2.595 2.009 1.00 0.00 C ATOM 503 CD2 PHE A 31 -3.445 -0.966 3.089 1.00 0.00 C ATOM 504 CE1 PHE A 31 -2.051 -1.817 0.867 1.00 0.00 C ATOM 505 CE2 PHE A 31 -3.421 -0.184 1.950 1.00 0.00 C ATOM 506 CZ PHE A 31 -2.723 -0.610 0.837 1.00 0.00 C ATOM 0 H PHE A 31 -2.490 -4.116 6.570 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.833 -3.896 4.365 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.232 -3.992 4.143 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.451 -2.549 5.113 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.552 -3.537 2.027 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.992 -0.628 3.957 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.504 -2.152 -0.002 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.947 0.759 1.930 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.702 -0.001 -0.055 1.00 0.00 H new ATOM 516 N LEU A 32 -1.152 -1.040 6.003 1.00 0.00 N ATOM 517 CA LEU A 32 -0.547 0.268 6.196 1.00 0.00 C ATOM 518 C LEU A 32 0.916 0.115 6.590 1.00 0.00 C ATOM 519 O LEU A 32 1.771 0.888 6.157 1.00 0.00 O ATOM 520 CB LEU A 32 -1.320 1.062 7.251 1.00 0.00 C ATOM 521 CG LEU A 32 -2.821 1.198 6.979 1.00 0.00 C ATOM 522 CD1 LEU A 32 -3.469 2.135 7.985 1.00 0.00 C ATOM 523 CD2 LEU A 32 -3.062 1.688 5.562 1.00 0.00 C ATOM 0 H LEU A 32 -1.945 -1.234 6.615 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.592 0.821 5.258 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.182 0.582 8.220 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.886 2.059 7.325 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.278 0.214 7.087 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.535 2.216 7.772 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.329 1.741 8.992 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.009 3.120 7.913 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.134 1.779 5.386 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.588 2.661 5.428 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.637 0.977 4.854 1.00 0.00 H new ATOM 535 N GLU A 33 1.199 -0.906 7.393 1.00 0.00 N ATOM 536 CA GLU A 33 2.564 -1.185 7.821 1.00 0.00 C ATOM 537 C GLU A 33 3.404 -1.604 6.624 1.00 0.00 C ATOM 538 O GLU A 33 4.602 -1.338 6.576 1.00 0.00 O ATOM 539 CB GLU A 33 2.586 -2.281 8.890 1.00 0.00 C ATOM 540 CG GLU A 33 1.900 -1.888 10.189 1.00 0.00 C ATOM 541 CD GLU A 33 2.586 -0.732 10.895 1.00 0.00 C ATOM 542 OE1 GLU A 33 2.661 0.367 10.307 1.00 0.00 O ATOM 543 OE2 GLU A 33 3.046 -0.927 12.040 1.00 0.00 O ATOM 0 H GLU A 33 0.501 -1.553 7.760 1.00 0.00 H new ATOM 0 HA GLU A 33 2.984 -0.277 8.255 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.104 -3.174 8.491 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.621 -2.546 9.103 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.865 -1.616 9.980 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.874 -2.750 10.855 1.00 0.00 H new ATOM 550 N ILE A 34 2.762 -2.253 5.652 1.00 0.00 N ATOM 551 CA ILE A 34 3.447 -2.694 4.445 1.00 0.00 C ATOM 552 C ILE A 34 4.008 -1.501 3.686 1.00 0.00 C ATOM 553 O ILE A 34 5.212 -1.416 3.438 1.00 0.00 O ATOM 554 CB ILE A 34 2.500 -3.476 3.528 1.00 0.00 C ATOM 555 CG1 ILE A 34 2.062 -4.761 4.223 1.00 0.00 C ATOM 556 CG2 ILE A 34 3.172 -3.775 2.195 1.00 0.00 C ATOM 557 CD1 ILE A 34 1.050 -5.550 3.438 1.00 0.00 C ATOM 0 H ILE A 34 1.769 -2.483 5.681 1.00 0.00 H new ATOM 0 HA ILE A 34 4.264 -3.349 4.750 1.00 0.00 H new ATOM 0 HB ILE A 34 1.617 -2.871 3.324 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.938 -5.385 4.403 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.642 -4.513 5.198 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.484 -4.331 1.557 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.444 -2.839 1.707 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.070 -4.369 2.365 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.783 -6.451 3.990 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.158 -4.943 3.280 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.474 -5.828 2.473 1.00 0.00 H new ATOM 569 N LEU A 35 3.126 -0.566 3.342 1.00 0.00 N ATOM 570 CA LEU A 35 3.536 0.641 2.636 1.00 0.00 C ATOM 571 C LEU A 35 4.538 1.402 3.494 1.00 0.00 C ATOM 572 O LEU A 35 5.530 1.945 2.997 1.00 0.00 O ATOM 573 CB LEU A 35 2.317 1.516 2.328 1.00 0.00 C ATOM 574 CG LEU A 35 1.250 0.860 1.446 1.00 0.00 C ATOM 575 CD1 LEU A 35 -0.003 1.720 1.401 1.00 0.00 C ATOM 576 CD2 LEU A 35 1.783 0.628 0.036 1.00 0.00 C ATOM 0 H LEU A 35 2.127 -0.622 3.540 1.00 0.00 H new ATOM 0 HA LEU A 35 4.004 0.370 1.690 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.855 1.812 3.270 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.659 2.428 1.839 1.00 0.00 H new ATOM 0 HG LEU A 35 0.995 -0.107 1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.751 1.240 0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.400 1.838 2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.243 2.700 0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.009 0.161 -0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.067 1.582 -0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.654 -0.026 0.079 1.00 0.00 H new ATOM 588 N HIS A 36 4.271 1.409 4.796 1.00 0.00 N ATOM 589 CA HIS A 36 5.138 2.064 5.761 1.00 0.00 C ATOM 590 C HIS A 36 6.523 1.430 5.738 1.00 0.00 C ATOM 591 O HIS A 36 7.533 2.120 5.840 1.00 0.00 O ATOM 592 CB HIS A 36 4.530 1.967 7.162 1.00 0.00 C ATOM 593 CG HIS A 36 4.044 3.278 7.693 1.00 0.00 C ATOM 594 ND1 HIS A 36 4.855 4.386 7.824 1.00 0.00 N ATOM 595 CD2 HIS A 36 2.821 3.654 8.129 1.00 0.00 C ATOM 596 CE1 HIS A 36 4.149 5.388 8.319 1.00 0.00 C ATOM 597 NE2 HIS A 36 2.912 4.970 8.512 1.00 0.00 N ATOM 0 H HIS A 36 3.451 0.963 5.207 1.00 0.00 H new ATOM 0 HA HIS A 36 5.234 3.116 5.494 1.00 0.00 H new ATOM 0 HB2 HIS A 36 3.699 1.262 7.141 1.00 0.00 H new ATOM 0 HB3 HIS A 36 5.275 1.561 7.846 1.00 0.00 H new ATOM 0 HD2 HIS A 36 1.937 3.035 8.169 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.521 6.380 8.530 1.00 0.00 H new ATOM 0 HE2 HIS A 36 2.148 5.533 8.885 1.00 0.00 H new ATOM 606 N THR A 37 6.554 0.110 5.588 1.00 0.00 N ATOM 607 CA THR A 37 7.806 -0.631 5.532 1.00 0.00 C ATOM 608 C THR A 37 8.624 -0.198 4.324 1.00 0.00 C ATOM 609 O THR A 37 9.847 -0.085 4.396 1.00 0.00 O ATOM 610 CB THR A 37 7.554 -2.152 5.460 1.00 0.00 C ATOM 611 OG1 THR A 37 6.890 -2.594 6.648 1.00 0.00 O ATOM 612 CG2 THR A 37 8.857 -2.919 5.288 1.00 0.00 C ATOM 0 H THR A 37 5.720 -0.471 5.503 1.00 0.00 H new ATOM 0 HA THR A 37 8.359 -0.412 6.445 1.00 0.00 H new ATOM 0 HB THR A 37 6.923 -2.348 4.593 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.086 -2.054 6.793 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.647 -3.987 5.241 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.346 -2.604 4.366 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.513 -2.716 6.134 1.00 0.00 H new ATOM 939 N GLU A 57 8.272 -6.678 -3.278 1.00 0.00 N ATOM 940 CA GLU A 57 7.884 -7.014 -1.916 1.00 0.00 C ATOM 941 C GLU A 57 6.590 -6.314 -1.520 1.00 0.00 C ATOM 942 O GLU A 57 5.726 -6.916 -0.889 1.00 0.00 O ATOM 943 CB GLU A 57 9.005 -6.659 -0.937 1.00 0.00 C ATOM 944 CG GLU A 57 8.574 -6.711 0.520 1.00 0.00 C ATOM 945 CD GLU A 57 9.750 -6.782 1.474 1.00 0.00 C ATOM 946 OE1 GLU A 57 10.588 -5.856 1.453 1.00 0.00 O ATOM 947 OE2 GLU A 57 9.833 -7.763 2.241 1.00 0.00 O ATOM 0 HA GLU A 57 7.709 -8.089 -1.874 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.838 -7.346 -1.086 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.372 -5.658 -1.164 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.977 -5.828 0.750 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.933 -7.579 0.675 1.00 0.00 H new ATOM 954 N VAL A 58 6.458 -5.044 -1.890 1.00 0.00 N ATOM 955 CA VAL A 58 5.256 -4.284 -1.565 1.00 0.00 C ATOM 956 C VAL A 58 4.017 -5.003 -2.086 1.00 0.00 C ATOM 957 O VAL A 58 3.019 -5.144 -1.377 1.00 0.00 O ATOM 958 CB VAL A 58 5.303 -2.862 -2.160 1.00 0.00 C ATOM 959 CG1 VAL A 58 4.077 -2.067 -1.738 1.00 0.00 C ATOM 960 CG2 VAL A 58 6.581 -2.149 -1.744 1.00 0.00 C ATOM 0 H VAL A 58 7.163 -4.523 -2.411 1.00 0.00 H new ATOM 0 HA VAL A 58 5.208 -4.203 -0.479 1.00 0.00 H new ATOM 0 HB VAL A 58 5.299 -2.942 -3.247 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.127 -1.066 -2.167 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.177 -2.570 -2.093 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.047 -1.995 -0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.595 -1.147 -2.174 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.621 -2.078 -0.657 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.444 -2.710 -2.103 1.00 0.00 H new ATOM 970 N PHE A 59 4.100 -5.464 -3.328 1.00 0.00 N ATOM 971 CA PHE A 59 3.002 -6.182 -3.964 1.00 0.00 C ATOM 972 C PHE A 59 2.751 -7.514 -3.262 1.00 0.00 C ATOM 973 O PHE A 59 1.607 -7.907 -3.045 1.00 0.00 O ATOM 974 CB PHE A 59 3.325 -6.421 -5.442 1.00 0.00 C ATOM 975 CG PHE A 59 2.237 -7.122 -6.207 1.00 0.00 C ATOM 976 CD1 PHE A 59 0.932 -6.655 -6.176 1.00 0.00 C ATOM 977 CD2 PHE A 59 2.523 -8.244 -6.968 1.00 0.00 C ATOM 978 CE1 PHE A 59 -0.065 -7.296 -6.886 1.00 0.00 C ATOM 979 CE2 PHE A 59 1.530 -8.888 -7.681 1.00 0.00 C ATOM 980 CZ PHE A 59 0.234 -8.413 -7.640 1.00 0.00 C ATOM 0 H PHE A 59 4.924 -5.352 -3.919 1.00 0.00 H new ATOM 0 HA PHE A 59 2.099 -5.576 -3.886 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.527 -5.461 -5.918 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.239 -7.010 -5.511 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.692 -5.780 -5.590 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.535 -8.620 -7.004 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.078 -6.923 -6.851 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.767 -9.762 -8.270 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.544 -8.914 -8.197 1.00 0.00 H new ATOM 990 N THR A 60 3.834 -8.201 -2.918 1.00 0.00 N ATOM 991 CA THR A 60 3.755 -9.495 -2.244 1.00 0.00 C ATOM 992 C THR A 60 3.084 -9.386 -0.877 1.00 0.00 C ATOM 993 O THR A 60 2.200 -10.172 -0.545 1.00 0.00 O ATOM 994 CB THR A 60 5.160 -10.104 -2.065 1.00 0.00 C ATOM 995 OG1 THR A 60 5.737 -10.395 -3.343 1.00 0.00 O ATOM 996 CG2 THR A 60 5.107 -11.374 -1.227 1.00 0.00 C ATOM 0 H THR A 60 4.786 -7.881 -3.096 1.00 0.00 H new ATOM 0 HA THR A 60 3.149 -10.142 -2.878 1.00 0.00 H new ATOM 0 HB THR A 60 5.778 -9.373 -1.544 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.630 -10.780 -3.219 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.113 -11.780 -1.118 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.700 -11.143 -0.242 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.470 -12.109 -1.720 1.00 0.00 H new ATOM 1004 N GLU A 61 3.529 -8.421 -0.088 1.00 0.00 N ATOM 1005 CA GLU A 61 2.999 -8.204 1.251 1.00 0.00 C ATOM 1006 C GLU A 61 1.499 -7.924 1.224 1.00 0.00 C ATOM 1007 O GLU A 61 0.727 -8.570 1.932 1.00 0.00 O ATOM 1008 CB GLU A 61 3.736 -7.047 1.927 1.00 0.00 C ATOM 1009 CG GLU A 61 5.223 -7.299 2.128 1.00 0.00 C ATOM 1010 CD GLU A 61 5.504 -8.446 3.081 1.00 0.00 C ATOM 1011 OE1 GLU A 61 5.093 -9.586 2.780 1.00 0.00 O ATOM 1012 OE2 GLU A 61 6.138 -8.203 4.130 1.00 0.00 O ATOM 0 H GLU A 61 4.265 -7.768 -0.355 1.00 0.00 H new ATOM 0 HA GLU A 61 3.157 -9.118 1.823 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.608 -6.147 1.326 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.276 -6.852 2.896 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.684 -7.513 1.164 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.692 -6.392 2.511 1.00 0.00 H new ATOM 1019 N VAL A 62 1.093 -6.956 0.411 1.00 0.00 N ATOM 1020 CA VAL A 62 -0.315 -6.592 0.305 1.00 0.00 C ATOM 1021 C VAL A 62 -1.143 -7.734 -0.279 1.00 0.00 C ATOM 1022 O VAL A 62 -2.221 -8.050 0.224 1.00 0.00 O ATOM 1023 CB VAL A 62 -0.506 -5.337 -0.569 1.00 0.00 C ATOM 1024 CG1 VAL A 62 -1.976 -4.952 -0.636 1.00 0.00 C ATOM 1025 CG2 VAL A 62 0.332 -4.184 -0.038 1.00 0.00 C ATOM 0 H VAL A 62 1.717 -6.410 -0.183 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.660 -6.380 1.317 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.168 -5.565 -1.580 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.092 -4.064 -1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.548 -5.774 -1.067 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.343 -4.742 0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.184 -3.307 -0.668 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.028 -3.953 0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.385 -4.465 -0.048 1.00 0.00 H new ATOM 1035 N ALA A 63 -0.635 -8.345 -1.346 1.00 0.00 N ATOM 1036 CA ALA A 63 -1.331 -9.447 -2.002 1.00 0.00 C ATOM 1037 C ALA A 63 -1.518 -10.629 -1.061 1.00 0.00 C ATOM 1038 O ALA A 63 -2.592 -11.229 -1.012 1.00 0.00 O ATOM 1039 CB ALA A 63 -0.580 -9.884 -3.250 1.00 0.00 C ATOM 0 H ALA A 63 0.256 -8.095 -1.774 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.319 -9.088 -2.290 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.113 -10.707 -3.726 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.510 -9.047 -3.944 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.422 -10.212 -2.975 1.00 0.00 H new ATOM 1045 N ASN A 64 -0.469 -10.964 -0.315 1.00 0.00 N ATOM 1046 CA ASN A 64 -0.532 -12.079 0.617 1.00 0.00 C ATOM 1047 C ASN A 64 -1.596 -11.810 1.674 1.00 0.00 C ATOM 1048 O ASN A 64 -2.336 -12.709 2.075 1.00 0.00 O ATOM 1049 CB ASN A 64 0.845 -12.337 1.251 1.00 0.00 C ATOM 1050 CG ASN A 64 1.175 -11.446 2.430 1.00 0.00 C ATOM 1051 OD1 ASN A 64 0.405 -11.321 3.382 1.00 0.00 O ATOM 1052 ND2 ASN A 64 2.360 -10.857 2.385 1.00 0.00 N ATOM 0 H ASN A 64 0.429 -10.481 -0.339 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.812 -12.982 0.075 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.892 -13.377 1.574 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.612 -12.206 0.488 1.00 0.00 H new ATOM 0 HD21 ASN A 64 2.668 -10.271 3.161 1.00 0.00 H new ATOM 0 HD22 ASN A 64 2.965 -10.990 1.575 1.00 0.00 H new ATOM 1059 N LEU A 65 -1.675 -10.556 2.100 1.00 0.00 N ATOM 1060 CA LEU A 65 -2.657 -10.136 3.092 1.00 0.00 C ATOM 1061 C LEU A 65 -4.070 -10.361 2.576 1.00 0.00 C ATOM 1062 O LEU A 65 -4.843 -11.134 3.141 1.00 0.00 O ATOM 1063 CB LEU A 65 -2.479 -8.653 3.394 1.00 0.00 C ATOM 1064 CG LEU A 65 -1.983 -8.310 4.793 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -1.773 -6.812 4.894 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -2.970 -8.788 5.847 1.00 0.00 C ATOM 0 H LEU A 65 -1.066 -9.807 1.771 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.505 -10.727 3.995 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.779 -8.237 2.670 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.435 -8.153 3.237 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.036 -8.818 4.973 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.418 -6.561 5.894 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.034 -6.498 4.157 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.716 -6.299 4.704 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.596 -8.533 6.838 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.934 -8.306 5.688 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.088 -9.869 5.771 1.00 0.00 H new ATOM 1078 N PHE A 66 -4.394 -9.652 1.501 1.00 0.00 N ATOM 1079 CA PHE A 66 -5.712 -9.731 0.878 1.00 0.00 C ATOM 1080 C PHE A 66 -5.872 -11.017 0.069 1.00 0.00 C ATOM 1081 O PHE A 66 -6.392 -10.992 -1.048 1.00 0.00 O ATOM 1082 CB PHE A 66 -5.925 -8.524 -0.044 1.00 0.00 C ATOM 1083 CG PHE A 66 -5.774 -7.180 0.625 1.00 0.00 C ATOM 1084 CD1 PHE A 66 -5.631 -7.067 2.002 1.00 0.00 C ATOM 1085 CD2 PHE A 66 -5.759 -6.022 -0.139 1.00 0.00 C ATOM 1086 CE1 PHE A 66 -5.482 -5.830 2.599 1.00 0.00 C ATOM 1087 CE2 PHE A 66 -5.612 -4.784 0.454 1.00 0.00 C ATOM 1088 CZ PHE A 66 -5.473 -4.688 1.824 1.00 0.00 C ATOM 0 H PHE A 66 -3.754 -9.008 1.037 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.457 -9.730 1.674 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -5.215 -8.585 -0.869 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.923 -8.588 -0.478 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.636 -7.957 2.614 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.864 -6.090 -1.212 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.373 -5.757 3.671 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.606 -3.891 -0.154 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.357 -3.720 2.289 1.00 0.00 H new ATOM 1098 N ARG A 67 -5.425 -12.137 0.626 1.00 0.00 N ATOM 1099 CA ARG A 67 -5.530 -13.416 -0.064 1.00 0.00 C ATOM 1100 C ARG A 67 -6.988 -13.749 -0.361 1.00 0.00 C ATOM 1101 O ARG A 67 -7.863 -13.555 0.482 1.00 0.00 O ATOM 1102 CB ARG A 67 -4.888 -14.530 0.767 1.00 0.00 C ATOM 1103 CG ARG A 67 -4.916 -15.891 0.086 1.00 0.00 C ATOM 1104 CD ARG A 67 -4.144 -15.874 -1.224 1.00 0.00 C ATOM 1105 NE ARG A 67 -4.139 -17.180 -1.876 1.00 0.00 N ATOM 1106 CZ ARG A 67 -3.513 -17.429 -3.022 1.00 0.00 C ATOM 1107 NH1 ARG A 67 -2.845 -16.464 -3.640 1.00 0.00 N ATOM 1108 NH2 ARG A 67 -3.554 -18.644 -3.552 1.00 0.00 N ATOM 0 H ARG A 67 -4.989 -12.185 1.547 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.995 -13.337 -1.010 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.854 -14.262 0.982 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.404 -14.601 1.724 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.489 -16.641 0.752 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.949 -16.184 -0.103 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.585 -15.136 -1.894 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.118 -15.560 -1.035 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.644 -17.944 -1.427 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.811 -15.528 -3.236 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.366 -16.658 -4.519 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.066 -19.389 -3.080 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.073 -18.833 -4.431 1.00 0.00 H new ATOM 1122 N GLY A 68 -7.242 -14.239 -1.571 1.00 0.00 N ATOM 1123 CA GLY A 68 -8.597 -14.575 -1.968 1.00 0.00 C ATOM 1124 C GLY A 68 -9.381 -13.351 -2.405 1.00 0.00 C ATOM 1125 O GLY A 68 -10.063 -13.374 -3.430 1.00 0.00 O ATOM 0 H GLY A 68 -6.533 -14.409 -2.284 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.567 -15.297 -2.784 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.110 -15.056 -1.135 1.00 0.00 H new ATOM 1129 N GLN A 69 -9.273 -12.278 -1.627 1.00 0.00 N ATOM 1130 CA GLN A 69 -9.962 -11.028 -1.933 1.00 0.00 C ATOM 1131 C GLN A 69 -9.135 -10.188 -2.903 1.00 0.00 C ATOM 1132 O GLN A 69 -8.797 -9.039 -2.617 1.00 0.00 O ATOM 1133 CB GLN A 69 -10.238 -10.243 -0.650 1.00 0.00 C ATOM 1134 CG GLN A 69 -11.159 -10.969 0.316 1.00 0.00 C ATOM 1135 CD GLN A 69 -11.373 -10.206 1.607 1.00 0.00 C ATOM 1136 OE1 GLN A 69 -11.853 -9.072 1.600 1.00 0.00 O ATOM 1137 NE2 GLN A 69 -11.019 -10.828 2.725 1.00 0.00 N ATOM 0 H GLN A 69 -8.712 -12.249 -0.776 1.00 0.00 H new ATOM 0 HA GLN A 69 -10.915 -11.265 -2.406 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -9.292 -10.034 -0.150 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.681 -9.281 -0.909 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -12.122 -11.138 -0.165 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -10.740 -11.949 0.544 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -10.625 -11.768 2.683 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -11.141 -10.366 3.626 1.00 0.00 H new ATOM 1146 N GLU A 70 -8.801 -10.781 -4.045 1.00 0.00 N ATOM 1147 CA GLU A 70 -7.999 -10.104 -5.062 1.00 0.00 C ATOM 1148 C GLU A 70 -8.739 -8.922 -5.678 1.00 0.00 C ATOM 1149 O GLU A 70 -8.206 -8.236 -6.549 1.00 0.00 O ATOM 1150 CB GLU A 70 -7.603 -11.091 -6.159 1.00 0.00 C ATOM 1151 CG GLU A 70 -6.852 -12.304 -5.636 1.00 0.00 C ATOM 1152 CD GLU A 70 -6.377 -13.223 -6.744 1.00 0.00 C ATOM 1153 OE1 GLU A 70 -5.592 -12.763 -7.599 1.00 0.00 O ATOM 1154 OE2 GLU A 70 -6.789 -14.402 -6.756 1.00 0.00 O ATOM 0 H GLU A 70 -9.074 -11.732 -4.291 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.105 -9.719 -4.571 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.501 -11.425 -6.679 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.982 -10.577 -6.893 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.993 -11.971 -5.053 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.499 -12.862 -4.959 1.00 0.00 H new ATOM 1161 N ASP A 71 -9.966 -8.684 -5.227 1.00 0.00 N ATOM 1162 CA ASP A 71 -10.761 -7.577 -5.750 1.00 0.00 C ATOM 1163 C ASP A 71 -10.069 -6.243 -5.486 1.00 0.00 C ATOM 1164 O ASP A 71 -9.995 -5.386 -6.367 1.00 0.00 O ATOM 1165 CB ASP A 71 -12.170 -7.585 -5.144 1.00 0.00 C ATOM 1166 CG ASP A 71 -12.175 -7.657 -3.627 1.00 0.00 C ATOM 1167 OD1 ASP A 71 -11.089 -7.798 -3.028 1.00 0.00 O ATOM 1168 OD2 ASP A 71 -13.273 -7.586 -3.036 1.00 0.00 O ATOM 0 H ASP A 71 -10.429 -9.237 -4.506 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.854 -7.706 -6.828 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.698 -6.685 -5.459 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -12.724 -8.435 -5.542 1.00 0.00 H new ATOM 1173 N LEU A 72 -9.545 -6.082 -4.277 1.00 0.00 N ATOM 1174 CA LEU A 72 -8.836 -4.866 -3.898 1.00 0.00 C ATOM 1175 C LEU A 72 -7.481 -4.806 -4.589 1.00 0.00 C ATOM 1176 O LEU A 72 -7.010 -3.738 -4.987 1.00 0.00 O ATOM 1177 CB LEU A 72 -8.647 -4.823 -2.381 1.00 0.00 C ATOM 1178 CG LEU A 72 -9.942 -4.804 -1.571 1.00 0.00 C ATOM 1179 CD1 LEU A 72 -9.648 -4.995 -0.090 1.00 0.00 C ATOM 1180 CD2 LEU A 72 -10.691 -3.502 -1.805 1.00 0.00 C ATOM 0 H LEU A 72 -9.598 -6.783 -3.538 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.428 -4.006 -4.210 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.059 -5.689 -2.078 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.064 -3.938 -2.127 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.572 -5.629 -1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.582 -4.979 0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.150 -5.953 0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.001 -4.190 0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.612 -3.502 -1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.067 -2.663 -1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.932 -3.406 -2.864 1.00 0.00 H new ATOM 1192 N LEU A 73 -6.863 -5.973 -4.726 1.00 0.00 N ATOM 1193 CA LEU A 73 -5.574 -6.102 -5.350 1.00 0.00 C ATOM 1194 C LEU A 73 -5.582 -5.524 -6.759 1.00 0.00 C ATOM 1195 O LEU A 73 -4.602 -4.923 -7.199 1.00 0.00 O ATOM 1196 CB LEU A 73 -5.216 -7.577 -5.377 1.00 0.00 C ATOM 1197 CG LEU A 73 -4.013 -7.974 -4.523 1.00 0.00 C ATOM 1198 CD1 LEU A 73 -2.803 -7.117 -4.858 1.00 0.00 C ATOM 1199 CD2 LEU A 73 -4.364 -7.854 -3.050 1.00 0.00 C ATOM 0 H LEU A 73 -7.255 -6.857 -4.401 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.831 -5.542 -4.782 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.082 -8.150 -5.044 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.019 -7.867 -6.409 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.757 -9.011 -4.742 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.960 -7.419 -4.237 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.545 -7.247 -5.909 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.036 -6.069 -4.669 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.502 -8.138 -2.446 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.641 -6.824 -2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.201 -8.513 -2.821 1.00 0.00 H new ATOM 1211 N SER A 74 -6.697 -5.709 -7.457 1.00 0.00 N ATOM 1212 CA SER A 74 -6.843 -5.204 -8.814 1.00 0.00 C ATOM 1213 C SER A 74 -6.524 -3.715 -8.869 1.00 0.00 C ATOM 1214 O SER A 74 -5.867 -3.242 -9.796 1.00 0.00 O ATOM 1215 CB SER A 74 -8.265 -5.452 -9.317 1.00 0.00 C ATOM 1216 OG SER A 74 -8.424 -4.998 -10.650 1.00 0.00 O ATOM 0 H SER A 74 -7.514 -6.207 -7.103 1.00 0.00 H new ATOM 0 HA SER A 74 -6.140 -5.734 -9.457 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.492 -6.517 -9.263 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.977 -4.941 -8.669 1.00 0.00 H new ATOM 0 HG SER A 74 -9.342 -5.170 -10.947 1.00 0.00 H new ATOM 1222 N GLU A 75 -6.991 -2.983 -7.862 1.00 0.00 N ATOM 1223 CA GLU A 75 -6.752 -1.547 -7.787 1.00 0.00 C ATOM 1224 C GLU A 75 -5.300 -1.257 -7.418 1.00 0.00 C ATOM 1225 O GLU A 75 -4.686 -0.335 -7.956 1.00 0.00 O ATOM 1226 CB GLU A 75 -7.700 -0.904 -6.772 1.00 0.00 C ATOM 1227 CG GLU A 75 -9.169 -1.118 -7.103 1.00 0.00 C ATOM 1228 CD GLU A 75 -10.101 -0.390 -6.153 1.00 0.00 C ATOM 1229 OE1 GLU A 75 -9.601 0.297 -5.237 1.00 0.00 O ATOM 1230 OE2 GLU A 75 -11.333 -0.504 -6.328 1.00 0.00 O ATOM 0 H GLU A 75 -7.537 -3.361 -7.088 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.945 -1.116 -8.769 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.494 -1.313 -5.783 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.498 0.166 -6.723 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.360 -0.779 -8.121 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.391 -2.185 -7.075 1.00 0.00 H new ATOM 1237 N PHE A 76 -4.757 -2.053 -6.501 1.00 0.00 N ATOM 1238 CA PHE A 76 -3.374 -1.888 -6.058 1.00 0.00 C ATOM 1239 C PHE A 76 -2.412 -1.974 -7.240 1.00 0.00 C ATOM 1240 O PHE A 76 -1.472 -1.188 -7.349 1.00 0.00 O ATOM 1241 CB PHE A 76 -3.019 -2.960 -5.023 1.00 0.00 C ATOM 1242 CG PHE A 76 -1.688 -2.755 -4.350 1.00 0.00 C ATOM 1243 CD1 PHE A 76 -1.312 -1.503 -3.885 1.00 0.00 C ATOM 1244 CD2 PHE A 76 -0.818 -3.820 -4.171 1.00 0.00 C ATOM 1245 CE1 PHE A 76 -0.096 -1.318 -3.256 1.00 0.00 C ATOM 1246 CE2 PHE A 76 0.401 -3.640 -3.542 1.00 0.00 C ATOM 1247 CZ PHE A 76 0.762 -2.386 -3.084 1.00 0.00 C ATOM 0 H PHE A 76 -5.254 -2.820 -6.049 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.278 -0.902 -5.602 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.798 -2.985 -4.261 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.020 -3.934 -5.512 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.978 -0.663 -4.016 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.095 -4.801 -4.527 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.184 -0.338 -2.899 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.070 -4.478 -3.409 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.713 -2.242 -2.593 1.00 0.00 H new ATOM 1257 N GLY A 77 -2.660 -2.940 -8.119 1.00 0.00 N ATOM 1258 CA GLY A 77 -1.814 -3.126 -9.285 1.00 0.00 C ATOM 1259 C GLY A 77 -1.825 -1.932 -10.219 1.00 0.00 C ATOM 1260 O GLY A 77 -0.803 -1.601 -10.820 1.00 0.00 O ATOM 0 H GLY A 77 -3.434 -3.600 -8.044 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.791 -3.316 -8.959 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.145 -4.010 -9.830 1.00 0.00 H new ATOM 1423 N ILE B 2 3.182 4.929 -4.509 1.00 0.00 N ATOM 1424 CA ILE B 2 3.035 4.377 -3.168 1.00 0.00 C ATOM 1425 C ILE B 2 2.920 5.492 -2.135 1.00 0.00 C ATOM 1426 O ILE B 2 2.191 5.367 -1.153 1.00 0.00 O ATOM 1427 CB ILE B 2 4.220 3.461 -2.800 1.00 0.00 C ATOM 1428 CG1 ILE B 2 4.270 2.253 -3.739 1.00 0.00 C ATOM 1429 CG2 ILE B 2 4.121 3.012 -1.348 1.00 0.00 C ATOM 1430 CD1 ILE B 2 3.014 1.405 -3.714 1.00 0.00 C ATOM 0 HA ILE B 2 2.121 3.783 -3.164 1.00 0.00 H new ATOM 0 HB ILE B 2 5.144 4.027 -2.917 1.00 0.00 H new ATOM 0 HG12 ILE B 2 4.440 2.603 -4.757 1.00 0.00 H new ATOM 0 HG13 ILE B 2 5.123 1.630 -3.469 1.00 0.00 H new ATOM 0 HG21 ILE B 2 4.966 2.367 -1.108 1.00 0.00 H new ATOM 0 HG22 ILE B 2 4.134 3.885 -0.695 1.00 0.00 H new ATOM 0 HG23 ILE B 2 3.191 2.462 -1.200 1.00 0.00 H new ATOM 0 HD11 ILE B 2 3.126 0.569 -4.405 1.00 0.00 H new ATOM 0 HD12 ILE B 2 2.852 1.024 -2.706 1.00 0.00 H new ATOM 0 HD13 ILE B 2 2.159 2.012 -4.014 1.00 0.00 H new ATOM 1442 N GLN B 3 3.641 6.581 -2.370 1.00 0.00 N ATOM 1443 CA GLN B 3 3.618 7.727 -1.471 1.00 0.00 C ATOM 1444 C GLN B 3 2.192 8.220 -1.257 1.00 0.00 C ATOM 1445 O GLN B 3 1.821 8.608 -0.152 1.00 0.00 O ATOM 1446 CB GLN B 3 4.470 8.861 -2.041 1.00 0.00 C ATOM 1447 CG GLN B 3 4.396 10.142 -1.228 1.00 0.00 C ATOM 1448 CD GLN B 3 5.019 11.322 -1.943 1.00 0.00 C ATOM 1449 OE1 GLN B 3 6.223 11.346 -2.200 1.00 0.00 O ATOM 1450 NE2 GLN B 3 4.192 12.305 -2.281 1.00 0.00 N ATOM 0 H GLN B 3 4.251 6.694 -3.179 1.00 0.00 H new ATOM 0 HA GLN B 3 4.028 7.412 -0.511 1.00 0.00 H new ATOM 0 HB2 GLN B 3 5.508 8.533 -2.094 1.00 0.00 H new ATOM 0 HB3 GLN B 3 4.149 9.069 -3.062 1.00 0.00 H new ATOM 0 HG2 GLN B 3 3.353 10.367 -1.005 1.00 0.00 H new ATOM 0 HG3 GLN B 3 4.901 9.992 -0.274 1.00 0.00 H new ATOM 0 HE21 GLN B 3 3.201 12.241 -2.047 1.00 0.00 H new ATOM 0 HE22 GLN B 3 4.548 13.124 -2.775 1.00 0.00 H new ATOM 1459 N MET B 4 1.406 8.218 -2.328 1.00 0.00 N ATOM 1460 CA MET B 4 0.025 8.679 -2.262 1.00 0.00 C ATOM 1461 C MET B 4 -0.821 7.784 -1.358 1.00 0.00 C ATOM 1462 O MET B 4 -1.546 8.277 -0.494 1.00 0.00 O ATOM 1463 CB MET B 4 -0.579 8.735 -3.666 1.00 0.00 C ATOM 1464 CG MET B 4 0.261 9.532 -4.652 1.00 0.00 C ATOM 1465 SD MET B 4 -0.575 9.791 -6.229 1.00 0.00 S ATOM 1466 CE MET B 4 -1.997 10.745 -5.704 1.00 0.00 C ATOM 0 H MET B 4 1.702 7.902 -3.252 1.00 0.00 H new ATOM 0 HA MET B 4 0.026 9.681 -1.832 1.00 0.00 H new ATOM 0 HB2 MET B 4 -0.701 7.719 -4.042 1.00 0.00 H new ATOM 0 HB3 MET B 4 -1.574 9.176 -3.608 1.00 0.00 H new ATOM 0 HG2 MET B 4 0.509 10.499 -4.214 1.00 0.00 H new ATOM 0 HG3 MET B 4 1.202 9.010 -4.826 1.00 0.00 H new ATOM 0 HE1 MET B 4 -2.348 11.360 -6.532 1.00 0.00 H new ATOM 0 HE2 MET B 4 -2.793 10.069 -5.391 1.00 0.00 H new ATOM 0 HE3 MET B 4 -1.716 11.387 -4.869 1.00 0.00 H new ATOM 1476 N LEU B 5 -0.725 6.472 -1.555 1.00 0.00 N ATOM 1477 CA LEU B 5 -1.485 5.523 -0.743 1.00 0.00 C ATOM 1478 C LEU B 5 -1.017 5.560 0.707 1.00 0.00 C ATOM 1479 O LEU B 5 -1.827 5.605 1.633 1.00 0.00 O ATOM 1480 CB LEU B 5 -1.350 4.104 -1.301 1.00 0.00 C ATOM 1481 CG LEU B 5 -1.893 3.906 -2.720 1.00 0.00 C ATOM 1482 CD1 LEU B 5 -1.745 2.457 -3.150 1.00 0.00 C ATOM 1483 CD2 LEU B 5 -3.351 4.334 -2.801 1.00 0.00 C ATOM 0 H LEU B 5 -0.132 6.042 -2.265 1.00 0.00 H new ATOM 0 HA LEU B 5 -2.535 5.814 -0.779 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -0.296 3.825 -1.290 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -1.868 3.417 -0.632 1.00 0.00 H new ATOM 0 HG LEU B 5 -1.311 4.531 -3.398 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -2.136 2.336 -4.160 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -0.691 2.178 -3.133 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.301 1.816 -2.466 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -3.718 4.186 -3.817 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -3.945 3.736 -2.110 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -3.436 5.388 -2.535 1.00 0.00 H new ATOM 1495 N LEU B 6 0.299 5.549 0.891 1.00 0.00 N ATOM 1496 CA LEU B 6 0.896 5.590 2.220 1.00 0.00 C ATOM 1497 C LEU B 6 0.460 6.848 2.960 1.00 0.00 C ATOM 1498 O LEU B 6 0.029 6.788 4.113 1.00 0.00 O ATOM 1499 CB LEU B 6 2.422 5.556 2.098 1.00 0.00 C ATOM 1500 CG LEU B 6 3.193 5.645 3.417 1.00 0.00 C ATOM 1501 CD1 LEU B 6 2.967 4.406 4.264 1.00 0.00 C ATOM 1502 CD2 LEU B 6 4.671 5.830 3.143 1.00 0.00 C ATOM 0 H LEU B 6 0.977 5.512 0.130 1.00 0.00 H new ATOM 0 HA LEU B 6 0.559 4.722 2.786 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.708 4.634 1.592 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.736 6.381 1.458 1.00 0.00 H new ATOM 0 HG LEU B 6 2.823 6.507 3.972 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.526 4.495 5.195 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.905 4.306 4.487 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.308 3.526 3.719 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.211 5.892 4.088 1.00 0.00 H new ATOM 0 HD22 LEU B 6 5.043 4.983 2.567 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.824 6.749 2.576 1.00 0.00 H new ATOM 1514 N GLU B 7 0.567 7.983 2.279 1.00 0.00 N ATOM 1515 CA GLU B 7 0.178 9.265 2.850 1.00 0.00 C ATOM 1516 C GLU B 7 -1.320 9.284 3.134 1.00 0.00 C ATOM 1517 O GLU B 7 -1.770 9.864 4.123 1.00 0.00 O ATOM 1518 CB GLU B 7 0.548 10.403 1.894 1.00 0.00 C ATOM 1519 CG GLU B 7 0.190 11.783 2.419 1.00 0.00 C ATOM 1520 CD GLU B 7 0.902 12.117 3.716 1.00 0.00 C ATOM 1521 OE1 GLU B 7 2.151 12.144 3.717 1.00 0.00 O ATOM 1522 OE2 GLU B 7 0.211 12.353 4.729 1.00 0.00 O ATOM 0 H GLU B 7 0.922 8.040 1.325 1.00 0.00 H new ATOM 0 HA GLU B 7 0.714 9.406 3.789 1.00 0.00 H new ATOM 0 HB2 GLU B 7 1.619 10.366 1.697 1.00 0.00 H new ATOM 0 HB3 GLU B 7 0.043 10.244 0.941 1.00 0.00 H new ATOM 0 HG2 GLU B 7 0.443 12.531 1.667 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -0.887 11.840 2.575 1.00 0.00 H new ATOM 1529 N ALA B 8 -2.083 8.642 2.255 1.00 0.00 N ATOM 1530 CA ALA B 8 -3.532 8.573 2.394 1.00 0.00 C ATOM 1531 C ALA B 8 -3.928 7.977 3.740 1.00 0.00 C ATOM 1532 O ALA B 8 -4.740 8.549 4.461 1.00 0.00 O ATOM 1533 CB ALA B 8 -4.126 7.751 1.260 1.00 0.00 C ATOM 0 H ALA B 8 -1.718 8.159 1.434 1.00 0.00 H new ATOM 0 HA ALA B 8 -3.927 9.588 2.346 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -5.209 7.705 1.373 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -3.880 8.216 0.306 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -3.715 6.742 1.288 1.00 0.00 H new ATOM 1539 N ALA B 9 -3.347 6.828 4.070 1.00 0.00 N ATOM 1540 CA ALA B 9 -3.645 6.155 5.331 1.00 0.00 C ATOM 1541 C ALA B 9 -3.616 7.134 6.499 1.00 0.00 C ATOM 1542 O ALA B 9 -4.506 7.125 7.349 1.00 0.00 O ATOM 1543 CB ALA B 9 -2.660 5.021 5.565 1.00 0.00 C ATOM 0 H ALA B 9 -2.668 6.343 3.483 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.652 5.742 5.266 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -2.892 4.526 6.508 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -2.734 4.301 4.750 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -1.647 5.421 5.605 1.00 0.00 H new ATOM 1549 N ASP B 10 -2.594 7.984 6.529 1.00 0.00 N ATOM 1550 CA ASP B 10 -2.456 8.979 7.588 1.00 0.00 C ATOM 1551 C ASP B 10 -3.647 9.931 7.584 1.00 0.00 C ATOM 1552 O ASP B 10 -4.153 10.320 8.637 1.00 0.00 O ATOM 1553 CB ASP B 10 -1.156 9.766 7.411 1.00 0.00 C ATOM 1554 CG ASP B 10 -0.955 10.801 8.501 1.00 0.00 C ATOM 1555 OD1 ASP B 10 -0.902 10.413 9.686 1.00 0.00 O ATOM 1556 OD2 ASP B 10 -0.850 12.001 8.168 1.00 0.00 O ATOM 0 H ASP B 10 -1.849 8.004 5.832 1.00 0.00 H new ATOM 0 HA ASP B 10 -2.427 8.460 8.546 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.313 9.075 7.410 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -1.163 10.261 6.440 1.00 0.00 H new ATOM 1561 N TYR B 11 -4.086 10.297 6.385 1.00 0.00 N ATOM 1562 CA TYR B 11 -5.218 11.200 6.215 1.00 0.00 C ATOM 1563 C TYR B 11 -6.489 10.627 6.835 1.00 0.00 C ATOM 1564 O TYR B 11 -7.175 11.299 7.605 1.00 0.00 O ATOM 1565 CB TYR B 11 -5.456 11.453 4.724 1.00 0.00 C ATOM 1566 CG TYR B 11 -6.736 12.201 4.428 1.00 0.00 C ATOM 1567 CD1 TYR B 11 -6.824 13.572 4.628 1.00 0.00 C ATOM 1568 CD2 TYR B 11 -7.860 11.531 3.953 1.00 0.00 C ATOM 1569 CE1 TYR B 11 -7.994 14.257 4.362 1.00 0.00 C ATOM 1570 CE2 TYR B 11 -9.031 12.210 3.684 1.00 0.00 C ATOM 1571 CZ TYR B 11 -9.095 13.572 3.890 1.00 0.00 C ATOM 1572 OH TYR B 11 -10.261 14.251 3.622 1.00 0.00 O ATOM 0 H TYR B 11 -3.671 9.979 5.509 1.00 0.00 H new ATOM 0 HA TYR B 11 -4.979 12.134 6.723 1.00 0.00 H new ATOM 0 HB2 TYR B 11 -4.615 12.018 4.322 1.00 0.00 H new ATOM 0 HB3 TYR B 11 -5.476 10.497 4.202 1.00 0.00 H new ATOM 0 HD1 TYR B 11 -5.964 14.112 4.997 1.00 0.00 H new ATOM 0 HD2 TYR B 11 -7.815 10.464 3.793 1.00 0.00 H new ATOM 0 HE1 TYR B 11 -8.047 15.324 4.523 1.00 0.00 H new ATOM 0 HE2 TYR B 11 -9.894 11.677 3.314 1.00 0.00 H new ATOM 0 HH TYR B 11 -10.938 13.622 3.296 1.00 0.00 H new ATOM 1582 N LEU B 12 -6.805 9.388 6.473 1.00 0.00 N ATOM 1583 CA LEU B 12 -8.007 8.728 6.970 1.00 0.00 C ATOM 1584 C LEU B 12 -7.963 8.542 8.485 1.00 0.00 C ATOM 1585 O LEU B 12 -8.925 8.864 9.182 1.00 0.00 O ATOM 1586 CB LEU B 12 -8.205 7.377 6.277 1.00 0.00 C ATOM 1587 CG LEU B 12 -8.578 7.452 4.790 1.00 0.00 C ATOM 1588 CD1 LEU B 12 -7.445 8.049 3.979 1.00 0.00 C ATOM 1589 CD2 LEU B 12 -8.939 6.073 4.262 1.00 0.00 C ATOM 0 H LEU B 12 -6.245 8.820 5.837 1.00 0.00 H new ATOM 0 HA LEU B 12 -8.854 9.374 6.737 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -7.287 6.798 6.376 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -8.986 6.828 6.803 1.00 0.00 H new ATOM 0 HG LEU B 12 -9.448 8.101 4.690 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -7.733 8.092 2.929 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -7.232 9.056 4.338 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -6.555 7.429 4.086 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -9.201 6.145 3.206 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -8.087 5.404 4.380 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -9.789 5.680 4.821 1.00 0.00 H new ATOM 1601 N GLU B 13 -6.850 8.019 8.991 1.00 0.00 N ATOM 1602 CA GLU B 13 -6.700 7.795 10.426 1.00 0.00 C ATOM 1603 C GLU B 13 -6.649 9.120 11.182 1.00 0.00 C ATOM 1604 O GLU B 13 -6.612 9.086 12.430 1.00 0.00 O ATOM 1605 CB GLU B 13 -5.439 6.978 10.717 1.00 0.00 C ATOM 1606 CG GLU B 13 -4.150 7.678 10.319 1.00 0.00 C ATOM 1607 CD GLU B 13 -2.919 6.840 10.605 1.00 0.00 C ATOM 1608 OE1 GLU B 13 -2.705 6.482 11.783 1.00 0.00 O ATOM 1609 OE2 GLU B 13 -2.170 6.542 9.652 1.00 0.00 O ATOM 1610 OXT GLU B 13 -6.646 10.178 10.519 1.00 0.00 O ATOM 0 H GLU B 13 -6.042 7.743 8.432 1.00 0.00 H new ATOM 0 HA GLU B 13 -7.569 7.233 10.768 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -5.403 6.749 11.782 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -5.503 6.027 10.188 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -4.184 7.916 9.256 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -4.074 8.624 10.856 1.00 0.00 H new