USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 407 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 14 LYS NZ :NH3+ 152:sc= -2.97 (180deg=-4.23!) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 20 THR OG1 : rot -18:sc= 0.588 USER MOD Single : A 21 ASN : amide:sc= -0.646 K(o=-0.65,f=-2.5) USER MOD Single : A 26 SER OG : rot 48:sc= 0.371 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0156 K(o=-0.016,f=-0.66) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.295 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N LEU A 9 -11.395 -4.784 -0.641 1.00 0.00 N ATOM 117 CA LEU A 9 -11.081 -3.470 -0.090 1.00 0.00 C ATOM 118 C LEU A 9 -10.286 -2.645 -1.096 1.00 0.00 C ATOM 119 O LEU A 9 -9.184 -3.025 -1.488 1.00 0.00 O ATOM 120 CB LEU A 9 -10.287 -3.624 1.213 1.00 0.00 C ATOM 121 CG LEU A 9 -10.205 -2.371 2.096 1.00 0.00 C ATOM 122 CD1 LEU A 9 -9.775 -2.746 3.506 1.00 0.00 C ATOM 123 CD2 LEU A 9 -9.240 -1.351 1.506 1.00 0.00 C ATOM 0 HA LEU A 9 -12.014 -2.949 0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.735 -4.428 1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.273 -3.937 0.964 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.196 -1.919 2.137 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.721 -1.848 4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.500 -3.437 3.936 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.795 -3.222 3.473 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.200 -0.473 2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.246 -1.792 1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.583 -1.058 0.514 1.00 0.00 H new ATOM 135 N VAL A 10 -10.845 -1.509 -1.501 1.00 0.00 N ATOM 136 CA VAL A 10 -10.181 -0.636 -2.462 1.00 0.00 C ATOM 137 C VAL A 10 -9.520 0.542 -1.758 1.00 0.00 C ATOM 138 O VAL A 10 -10.154 1.246 -0.972 1.00 0.00 O ATOM 139 CB VAL A 10 -11.169 -0.103 -3.517 1.00 0.00 C ATOM 140 CG1 VAL A 10 -10.429 0.653 -4.611 1.00 0.00 C ATOM 141 CG2 VAL A 10 -11.985 -1.243 -4.109 1.00 0.00 C ATOM 0 H VAL A 10 -11.753 -1.172 -1.180 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.420 -1.234 -2.963 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.854 0.590 -3.027 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.144 1.021 -5.346 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.893 1.495 -4.173 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.719 -0.015 -5.099 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.677 -0.847 -4.852 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.316 -1.962 -4.583 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.547 -1.738 -3.317 1.00 0.00 H new ATOM 151 N VAL A 11 -8.240 0.752 -2.049 1.00 0.00 N ATOM 152 CA VAL A 11 -7.484 1.838 -1.439 1.00 0.00 C ATOM 153 C VAL A 11 -6.898 2.765 -2.505 1.00 0.00 C ATOM 154 O VAL A 11 -6.511 2.315 -3.583 1.00 0.00 O ATOM 155 CB VAL A 11 -6.349 1.289 -0.549 1.00 0.00 C ATOM 156 CG1 VAL A 11 -5.250 0.657 -1.389 1.00 0.00 C ATOM 157 CG2 VAL A 11 -5.787 2.383 0.341 1.00 0.00 C ATOM 0 H VAL A 11 -7.705 0.183 -2.705 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.175 2.408 -0.818 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.769 0.512 0.089 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.464 0.279 -0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.665 -0.166 -1.971 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.832 1.404 -2.064 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.988 1.974 0.960 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.391 3.188 -0.278 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.578 2.774 0.981 1.00 0.00 H new ATOM 167 N ARG A 12 -6.845 4.059 -2.201 1.00 0.00 N ATOM 168 CA ARG A 12 -6.308 5.041 -3.140 1.00 0.00 C ATOM 169 C ARG A 12 -5.110 5.777 -2.549 1.00 0.00 C ATOM 170 O ARG A 12 -5.158 6.262 -1.417 1.00 0.00 O ATOM 171 CB ARG A 12 -7.388 6.051 -3.537 1.00 0.00 C ATOM 172 CG ARG A 12 -6.940 7.027 -4.613 1.00 0.00 C ATOM 173 CD ARG A 12 -7.973 8.118 -4.841 1.00 0.00 C ATOM 174 NE ARG A 12 -9.261 7.575 -5.263 1.00 0.00 N ATOM 175 CZ ARG A 12 -10.265 8.320 -5.714 1.00 0.00 C ATOM 176 NH1 ARG A 12 -10.127 9.636 -5.817 1.00 0.00 N ATOM 177 NH2 ARG A 12 -11.408 7.748 -6.067 1.00 0.00 N ATOM 0 H ARG A 12 -7.166 4.451 -1.316 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.977 4.500 -4.027 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.267 5.511 -3.890 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.692 6.612 -2.653 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.991 7.478 -4.324 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.766 6.488 -5.545 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.105 8.690 -3.922 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.607 8.811 -5.598 1.00 0.00 H new ATOM 0 HE ARG A 12 -9.398 6.566 -5.209 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.248 10.079 -5.550 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.900 10.204 -6.164 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -11.517 6.737 -5.992 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -12.179 8.319 -6.413 1.00 0.00 H new ATOM 191 N ALA A 13 -4.036 5.852 -3.326 1.00 0.00 N ATOM 192 CA ALA A 13 -2.817 6.528 -2.899 1.00 0.00 C ATOM 193 C ALA A 13 -3.070 8.006 -2.616 1.00 0.00 C ATOM 194 O ALA A 13 -4.057 8.578 -3.076 1.00 0.00 O ATOM 195 CB ALA A 13 -1.737 6.375 -3.958 1.00 0.00 C ATOM 0 H ALA A 13 -3.985 5.450 -4.262 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.481 6.062 -1.973 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.831 6.883 -3.629 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.524 5.317 -4.111 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.081 6.815 -4.894 1.00 0.00 H new ATOM 201 N LYS A 14 -2.166 8.616 -1.853 1.00 0.00 N ATOM 202 CA LYS A 14 -2.279 10.031 -1.511 1.00 0.00 C ATOM 203 C LYS A 14 -0.918 10.714 -1.587 1.00 0.00 C ATOM 204 O LYS A 14 -0.817 11.872 -1.997 1.00 0.00 O ATOM 205 CB LYS A 14 -2.876 10.205 -0.115 1.00 0.00 C ATOM 206 CG LYS A 14 -2.217 9.338 0.938 1.00 0.00 C ATOM 207 CD LYS A 14 -2.562 9.812 2.339 1.00 0.00 C ATOM 208 CE LYS A 14 -1.973 8.899 3.400 1.00 0.00 C ATOM 209 NZ LYS A 14 -2.556 7.530 3.342 1.00 0.00 N ATOM 0 H LYS A 14 -1.347 8.152 -1.460 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.946 10.500 -2.235 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.789 11.251 0.181 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.940 9.972 -0.152 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.537 8.304 0.813 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.136 9.356 0.802 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.188 10.826 2.483 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.645 9.852 2.454 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.893 8.839 3.268 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.150 9.327 4.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.863 6.842 3.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.415 7.493 3.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.798 7.297 2.358 1.00 0.00 H new ATOM 223 N PHE A 15 0.127 9.994 -1.194 1.00 0.00 N ATOM 224 CA PHE A 15 1.482 10.533 -1.226 1.00 0.00 C ATOM 225 C PHE A 15 2.314 9.850 -2.306 1.00 0.00 C ATOM 226 O PHE A 15 1.983 8.752 -2.758 1.00 0.00 O ATOM 227 CB PHE A 15 2.155 10.373 0.139 1.00 0.00 C ATOM 228 CG PHE A 15 1.410 11.041 1.262 1.00 0.00 C ATOM 229 CD1 PHE A 15 0.777 12.261 1.070 1.00 0.00 C ATOM 230 CD2 PHE A 15 1.340 10.445 2.512 1.00 0.00 C ATOM 231 CE1 PHE A 15 0.089 12.871 2.100 1.00 0.00 C ATOM 232 CE2 PHE A 15 0.652 11.052 3.547 1.00 0.00 C ATOM 233 CZ PHE A 15 0.026 12.267 3.339 1.00 0.00 C ATOM 0 H PHE A 15 0.062 9.036 -0.850 1.00 0.00 H new ATOM 0 HA PHE A 15 1.417 11.595 -1.463 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.255 9.311 0.362 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.163 10.785 0.088 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.823 12.739 0.103 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.828 9.496 2.679 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.399 13.820 1.936 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.604 10.578 4.516 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.512 12.743 4.146 1.00 0.00 H new ATOM 243 N ASN A 16 3.393 10.507 -2.714 1.00 0.00 N ATOM 244 CA ASN A 16 4.276 9.969 -3.743 1.00 0.00 C ATOM 245 C ASN A 16 5.158 8.857 -3.183 1.00 0.00 C ATOM 246 O ASN A 16 5.703 8.979 -2.087 1.00 0.00 O ATOM 247 CB ASN A 16 5.148 11.083 -4.322 1.00 0.00 C ATOM 248 CG ASN A 16 6.038 10.596 -5.447 1.00 0.00 C ATOM 249 OD1 ASN A 16 7.171 10.171 -5.218 1.00 0.00 O ATOM 250 ND2 ASN A 16 5.528 10.655 -6.671 1.00 0.00 N ATOM 0 H ASN A 16 3.678 11.415 -2.347 1.00 0.00 H new ATOM 0 HA ASN A 16 3.656 9.548 -4.535 1.00 0.00 H new ATOM 0 HB2 ASN A 16 4.509 11.886 -4.690 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.767 11.505 -3.530 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.080 10.341 -7.469 1.00 0.00 H new ATOM 0 HD22 ASN A 16 4.584 11.015 -6.813 1.00 0.00 H new ATOM 257 N PHE A 17 5.292 7.774 -3.944 1.00 0.00 N ATOM 258 CA PHE A 17 6.113 6.644 -3.525 1.00 0.00 C ATOM 259 C PHE A 17 6.819 6.014 -4.723 1.00 0.00 C ATOM 260 O PHE A 17 6.241 5.895 -5.805 1.00 0.00 O ATOM 261 CB PHE A 17 5.251 5.599 -2.814 1.00 0.00 C ATOM 262 CG PHE A 17 6.041 4.488 -2.184 1.00 0.00 C ATOM 263 CD1 PHE A 17 6.542 4.619 -0.899 1.00 0.00 C ATOM 264 CD2 PHE A 17 6.280 3.311 -2.876 1.00 0.00 C ATOM 265 CE1 PHE A 17 7.265 3.597 -0.315 1.00 0.00 C ATOM 266 CE2 PHE A 17 7.004 2.286 -2.297 1.00 0.00 C ATOM 267 CZ PHE A 17 7.497 2.429 -1.014 1.00 0.00 C ATOM 0 H PHE A 17 4.843 7.656 -4.852 1.00 0.00 H new ATOM 0 HA PHE A 17 6.871 7.010 -2.832 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.659 6.093 -2.044 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.549 5.172 -3.531 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.365 5.531 -0.348 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.896 3.194 -3.879 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.649 3.712 0.688 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.184 1.374 -2.847 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.062 1.629 -0.559 1.00 0.00 H new ATOM 277 N GLN A 18 8.071 5.614 -4.523 1.00 0.00 N ATOM 278 CA GLN A 18 8.861 4.995 -5.583 1.00 0.00 C ATOM 279 C GLN A 18 9.356 3.618 -5.156 1.00 0.00 C ATOM 280 O GLN A 18 9.944 3.465 -4.085 1.00 0.00 O ATOM 281 CB GLN A 18 10.051 5.886 -5.945 1.00 0.00 C ATOM 282 CG GLN A 18 10.881 5.354 -7.103 1.00 0.00 C ATOM 283 CD GLN A 18 12.116 6.190 -7.369 1.00 0.00 C ATOM 284 OE1 GLN A 18 12.683 6.791 -6.455 1.00 0.00 O ATOM 285 NE2 GLN A 18 12.543 6.233 -8.626 1.00 0.00 N ATOM 0 H GLN A 18 8.562 5.708 -3.634 1.00 0.00 H new ATOM 0 HA GLN A 18 8.222 4.878 -6.459 1.00 0.00 H new ATOM 0 HB2 GLN A 18 9.685 6.881 -6.198 1.00 0.00 H new ATOM 0 HB3 GLN A 18 10.692 5.995 -5.070 1.00 0.00 H new ATOM 0 HG2 GLN A 18 11.181 4.328 -6.889 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.266 5.325 -8.002 1.00 0.00 H new ATOM 0 HE21 GLN A 18 12.043 5.720 -9.352 1.00 0.00 H new ATOM 0 HE22 GLN A 18 13.371 6.779 -8.865 1.00 0.00 H new ATOM 294 N GLN A 19 9.119 2.618 -5.999 1.00 0.00 N ATOM 295 CA GLN A 19 9.542 1.255 -5.703 1.00 0.00 C ATOM 296 C GLN A 19 11.028 1.072 -5.996 1.00 0.00 C ATOM 297 O GLN A 19 11.715 2.017 -6.388 1.00 0.00 O ATOM 298 CB GLN A 19 8.718 0.250 -6.512 1.00 0.00 C ATOM 299 CG GLN A 19 8.952 0.329 -8.012 1.00 0.00 C ATOM 300 CD GLN A 19 8.092 -0.651 -8.788 1.00 0.00 C ATOM 301 OE1 GLN A 19 6.983 -0.985 -8.372 1.00 0.00 O ATOM 302 NE2 GLN A 19 8.601 -1.118 -9.921 1.00 0.00 N ATOM 0 H GLN A 19 8.637 2.726 -6.891 1.00 0.00 H new ATOM 0 HA GLN A 19 9.375 1.073 -4.641 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.954 -0.758 -6.170 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.660 0.416 -6.310 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.743 1.342 -8.356 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.003 0.131 -8.223 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.525 -0.814 -10.229 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.068 -1.781 -10.484 1.00 0.00 H new ATOM 311 N THR A 20 11.519 -0.149 -5.805 1.00 0.00 N ATOM 312 CA THR A 20 12.923 -0.456 -6.047 1.00 0.00 C ATOM 313 C THR A 20 13.076 -1.764 -6.814 1.00 0.00 C ATOM 314 O THR A 20 14.161 -2.093 -7.291 1.00 0.00 O ATOM 315 CB THR A 20 13.712 -0.550 -4.726 1.00 0.00 C ATOM 316 OG1 THR A 20 15.077 -0.895 -4.991 1.00 0.00 O ATOM 317 CG2 THR A 20 13.093 -1.584 -3.797 1.00 0.00 C ATOM 0 H THR A 20 10.964 -0.942 -5.483 1.00 0.00 H new ATOM 0 HA THR A 20 13.327 0.360 -6.646 1.00 0.00 H new ATOM 0 HB THR A 20 13.673 0.424 -4.237 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.149 -1.276 -5.891 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.667 -1.632 -2.872 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.065 -1.301 -3.572 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.103 -2.560 -4.281 1.00 0.00 H new ATOM 325 N ASN A 21 11.976 -2.502 -6.933 1.00 0.00 N ATOM 326 CA ASN A 21 11.977 -3.778 -7.640 1.00 0.00 C ATOM 327 C ASN A 21 10.612 -4.055 -8.261 1.00 0.00 C ATOM 328 O ASN A 21 9.669 -3.285 -8.080 1.00 0.00 O ATOM 329 CB ASN A 21 12.351 -4.916 -6.687 1.00 0.00 C ATOM 330 CG ASN A 21 13.834 -4.947 -6.369 1.00 0.00 C ATOM 331 OD1 ASN A 21 14.669 -4.626 -7.214 1.00 0.00 O ATOM 332 ND2 ASN A 21 14.167 -5.336 -5.144 1.00 0.00 N ATOM 0 H ASN A 21 11.070 -2.237 -6.547 1.00 0.00 H new ATOM 0 HA ASN A 21 12.719 -3.721 -8.437 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.787 -4.809 -5.761 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.058 -5.868 -7.131 1.00 0.00 H new ATOM 0 HD21 ASN A 21 15.149 -5.378 -4.871 1.00 0.00 H new ATOM 0 HD22 ASN A 21 13.441 -5.593 -4.476 1.00 0.00 H new ATOM 339 N GLU A 22 10.517 -5.159 -8.995 1.00 0.00 N ATOM 340 CA GLU A 22 9.270 -5.541 -9.646 1.00 0.00 C ATOM 341 C GLU A 22 8.356 -6.283 -8.674 1.00 0.00 C ATOM 342 O GLU A 22 7.146 -6.363 -8.885 1.00 0.00 O ATOM 343 CB GLU A 22 9.556 -6.419 -10.866 1.00 0.00 C ATOM 344 CG GLU A 22 10.429 -5.744 -11.910 1.00 0.00 C ATOM 345 CD GLU A 22 9.779 -4.510 -12.506 1.00 0.00 C ATOM 346 OE1 GLU A 22 9.967 -3.410 -11.944 1.00 0.00 O ATOM 347 OE2 GLU A 22 9.081 -4.643 -13.533 1.00 0.00 O ATOM 0 H GLU A 22 11.290 -5.805 -9.154 1.00 0.00 H new ATOM 0 HA GLU A 22 8.764 -4.632 -9.972 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.042 -7.337 -10.536 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.611 -6.707 -11.326 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.381 -5.466 -11.457 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.650 -6.454 -12.707 1.00 0.00 H new ATOM 354 N ASP A 23 8.945 -6.822 -7.610 1.00 0.00 N ATOM 355 CA ASP A 23 8.185 -7.557 -6.604 1.00 0.00 C ATOM 356 C ASP A 23 7.412 -6.604 -5.697 1.00 0.00 C ATOM 357 O ASP A 23 6.539 -7.027 -4.938 1.00 0.00 O ATOM 358 CB ASP A 23 9.119 -8.433 -5.766 1.00 0.00 C ATOM 359 CG ASP A 23 10.208 -7.630 -5.081 1.00 0.00 C ATOM 360 OD1 ASP A 23 9.918 -6.998 -4.045 1.00 0.00 O ATOM 361 OD2 ASP A 23 11.352 -7.634 -5.582 1.00 0.00 O ATOM 0 H ASP A 23 9.946 -6.763 -7.422 1.00 0.00 H new ATOM 0 HA ASP A 23 7.469 -8.194 -7.123 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.536 -8.964 -5.014 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.576 -9.187 -6.406 1.00 0.00 H new ATOM 366 N GLU A 24 7.738 -5.318 -5.781 1.00 0.00 N ATOM 367 CA GLU A 24 7.072 -4.304 -4.969 1.00 0.00 C ATOM 368 C GLU A 24 5.961 -3.630 -5.771 1.00 0.00 C ATOM 369 O GLU A 24 5.561 -4.127 -6.823 1.00 0.00 O ATOM 370 CB GLU A 24 8.088 -3.265 -4.488 1.00 0.00 C ATOM 371 CG GLU A 24 7.747 -2.656 -3.137 1.00 0.00 C ATOM 372 CD GLU A 24 8.786 -1.655 -2.671 1.00 0.00 C ATOM 373 OE1 GLU A 24 9.753 -2.072 -2.001 1.00 0.00 O ATOM 374 OE2 GLU A 24 8.632 -0.454 -2.976 1.00 0.00 O ATOM 0 H GLU A 24 8.459 -4.953 -6.403 1.00 0.00 H new ATOM 0 HA GLU A 24 6.627 -4.787 -4.099 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.071 -3.732 -4.428 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.158 -2.468 -5.229 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.776 -2.165 -3.199 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.656 -3.451 -2.397 1.00 0.00 H new ATOM 381 N LEU A 25 5.464 -2.499 -5.276 1.00 0.00 N ATOM 382 CA LEU A 25 4.397 -1.778 -5.961 1.00 0.00 C ATOM 383 C LEU A 25 4.519 -0.274 -5.741 1.00 0.00 C ATOM 384 O LEU A 25 4.391 0.214 -4.618 1.00 0.00 O ATOM 385 CB LEU A 25 3.031 -2.274 -5.477 1.00 0.00 C ATOM 386 CG LEU A 25 1.825 -1.768 -6.278 1.00 0.00 C ATOM 387 CD1 LEU A 25 0.670 -2.752 -6.177 1.00 0.00 C ATOM 388 CD2 LEU A 25 1.389 -0.394 -5.790 1.00 0.00 C ATOM 0 H LEU A 25 5.781 -2.065 -4.409 1.00 0.00 H new ATOM 0 HA LEU A 25 4.489 -1.971 -7.030 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.030 -3.364 -5.501 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.904 -1.978 -4.436 1.00 0.00 H new ATOM 0 HG LEU A 25 2.123 -1.683 -7.323 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.178 -2.378 -6.751 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.980 -3.718 -6.575 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.379 -2.866 -5.133 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.532 -0.056 -6.373 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.111 -0.453 -4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.211 0.312 -5.909 1.00 0.00 H new ATOM 400 N SER A 26 4.771 0.453 -6.825 1.00 0.00 N ATOM 401 CA SER A 26 4.897 1.904 -6.769 1.00 0.00 C ATOM 402 C SER A 26 3.568 2.559 -7.126 1.00 0.00 C ATOM 403 O SER A 26 2.694 1.920 -7.712 1.00 0.00 O ATOM 404 CB SER A 26 5.992 2.385 -7.722 1.00 0.00 C ATOM 405 OG SER A 26 6.103 3.797 -7.702 1.00 0.00 O ATOM 0 H SER A 26 4.892 0.058 -7.757 1.00 0.00 H new ATOM 0 HA SER A 26 5.172 2.189 -5.753 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.945 1.938 -7.440 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.770 2.049 -8.735 1.00 0.00 H new ATOM 0 HG SER A 26 6.129 4.110 -6.774 1.00 0.00 H new ATOM 411 N PHE A 27 3.415 3.831 -6.774 1.00 0.00 N ATOM 412 CA PHE A 27 2.182 4.549 -7.065 1.00 0.00 C ATOM 413 C PHE A 27 2.362 6.056 -6.924 1.00 0.00 C ATOM 414 O PHE A 27 3.341 6.528 -6.345 1.00 0.00 O ATOM 415 CB PHE A 27 1.061 4.071 -6.137 1.00 0.00 C ATOM 416 CG PHE A 27 1.417 4.130 -4.676 1.00 0.00 C ATOM 417 CD1 PHE A 27 1.480 5.343 -4.009 1.00 0.00 C ATOM 418 CD2 PHE A 27 1.686 2.968 -3.969 1.00 0.00 C ATOM 419 CE1 PHE A 27 1.803 5.397 -2.667 1.00 0.00 C ATOM 420 CE2 PHE A 27 2.011 3.017 -2.626 1.00 0.00 C ATOM 421 CZ PHE A 27 2.069 4.233 -1.974 1.00 0.00 C ATOM 0 H PHE A 27 4.124 4.382 -6.290 1.00 0.00 H new ATOM 0 HA PHE A 27 1.914 4.337 -8.100 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.174 4.680 -6.310 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.799 3.045 -6.397 1.00 0.00 H new ATOM 0 HD1 PHE A 27 1.274 6.258 -4.545 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.641 2.014 -4.473 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.847 6.350 -2.160 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.219 2.105 -2.087 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.322 4.273 -0.925 1.00 0.00 H new ATOM 431 N SER A 28 1.405 6.803 -7.464 1.00 0.00 N ATOM 432 CA SER A 28 1.431 8.259 -7.397 1.00 0.00 C ATOM 433 C SER A 28 0.060 8.789 -6.992 1.00 0.00 C ATOM 434 O SER A 28 -0.953 8.127 -7.214 1.00 0.00 O ATOM 435 CB SER A 28 1.844 8.850 -8.746 1.00 0.00 C ATOM 436 OG SER A 28 1.878 10.266 -8.694 1.00 0.00 O ATOM 0 H SER A 28 0.597 6.421 -7.956 1.00 0.00 H new ATOM 0 HA SER A 28 2.163 8.559 -6.647 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.826 8.470 -9.028 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.144 8.528 -9.517 1.00 0.00 H new ATOM 0 HG SER A 28 2.146 10.619 -9.568 1.00 0.00 H new ATOM 442 N LYS A 29 0.037 9.974 -6.386 1.00 0.00 N ATOM 443 CA LYS A 29 -1.215 10.592 -5.951 1.00 0.00 C ATOM 444 C LYS A 29 -2.290 10.485 -7.030 1.00 0.00 C ATOM 445 O LYS A 29 -2.285 11.244 -8.000 1.00 0.00 O ATOM 446 CB LYS A 29 -0.984 12.061 -5.589 1.00 0.00 C ATOM 447 CG LYS A 29 -2.238 12.776 -5.107 1.00 0.00 C ATOM 448 CD LYS A 29 -1.985 14.257 -4.868 1.00 0.00 C ATOM 449 CE LYS A 29 -1.071 14.483 -3.674 1.00 0.00 C ATOM 450 NZ LYS A 29 -0.793 15.929 -3.451 1.00 0.00 N ATOM 0 H LYS A 29 0.871 10.526 -6.185 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.563 10.055 -5.069 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.222 12.119 -4.812 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.591 12.584 -6.461 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.031 12.657 -5.845 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.589 12.313 -4.185 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.537 14.699 -5.758 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.934 14.767 -4.702 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.530 14.060 -2.781 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.132 13.953 -3.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.167 16.039 -2.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.331 16.328 -4.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.687 16.431 -3.276 1.00 0.00 H new ATOM 464 N GLY A 30 -3.206 9.535 -6.858 1.00 0.00 N ATOM 465 CA GLY A 30 -4.275 9.352 -7.825 1.00 0.00 C ATOM 466 C GLY A 30 -4.479 7.898 -8.212 1.00 0.00 C ATOM 467 O GLY A 30 -5.614 7.435 -8.319 1.00 0.00 O ATOM 0 H GLY A 30 -3.227 8.890 -6.068 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.203 9.746 -7.412 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.052 9.933 -8.720 1.00 0.00 H new ATOM 471 N ASP A 31 -3.380 7.179 -8.425 1.00 0.00 N ATOM 472 CA ASP A 31 -3.448 5.771 -8.808 1.00 0.00 C ATOM 473 C ASP A 31 -4.187 4.950 -7.756 1.00 0.00 C ATOM 474 O ASP A 31 -3.867 5.008 -6.569 1.00 0.00 O ATOM 475 CB ASP A 31 -2.041 5.206 -9.019 1.00 0.00 C ATOM 476 CG ASP A 31 -1.268 5.960 -10.084 1.00 0.00 C ATOM 477 OD1 ASP A 31 -1.402 5.610 -11.275 1.00 0.00 O ATOM 478 OD2 ASP A 31 -0.526 6.900 -9.726 1.00 0.00 O ATOM 0 H ASP A 31 -2.433 7.547 -8.339 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.002 5.706 -9.745 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.492 5.246 -8.078 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.113 4.156 -9.301 1.00 0.00 H new ATOM 483 N VAL A 32 -5.178 4.184 -8.205 1.00 0.00 N ATOM 484 CA VAL A 32 -5.966 3.345 -7.307 1.00 0.00 C ATOM 485 C VAL A 32 -5.376 1.943 -7.211 1.00 0.00 C ATOM 486 O VAL A 32 -5.147 1.286 -8.225 1.00 0.00 O ATOM 487 CB VAL A 32 -7.431 3.241 -7.773 1.00 0.00 C ATOM 488 CG1 VAL A 32 -8.253 2.433 -6.779 1.00 0.00 C ATOM 489 CG2 VAL A 32 -8.029 4.626 -7.968 1.00 0.00 C ATOM 0 H VAL A 32 -5.454 4.127 -9.185 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.939 3.819 -6.326 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.451 2.723 -8.732 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.285 2.371 -7.126 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.837 1.429 -6.694 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.226 2.920 -5.804 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.064 4.532 -8.297 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.996 5.173 -7.026 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.456 5.167 -8.721 1.00 0.00 H new ATOM 499 N ILE A 33 -5.136 1.490 -5.986 1.00 0.00 N ATOM 500 CA ILE A 33 -4.570 0.166 -5.759 1.00 0.00 C ATOM 501 C ILE A 33 -5.621 -0.794 -5.210 1.00 0.00 C ATOM 502 O ILE A 33 -6.329 -0.475 -4.256 1.00 0.00 O ATOM 503 CB ILE A 33 -3.378 0.218 -4.783 1.00 0.00 C ATOM 504 CG1 ILE A 33 -2.256 1.086 -5.354 1.00 0.00 C ATOM 505 CG2 ILE A 33 -2.868 -1.186 -4.490 1.00 0.00 C ATOM 506 CD1 ILE A 33 -2.447 2.568 -5.116 1.00 0.00 C ATOM 0 H ILE A 33 -5.325 2.020 -5.135 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.219 -0.195 -6.726 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.717 0.664 -3.848 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.309 0.776 -4.912 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.181 0.907 -6.427 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.027 -1.131 -3.799 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.667 -1.777 -4.042 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.545 -1.657 -5.418 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.611 3.117 -5.550 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.377 2.895 -5.582 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.491 2.762 -4.044 1.00 0.00 H new ATOM 518 N HIS A 34 -5.716 -1.973 -5.820 1.00 0.00 N ATOM 519 CA HIS A 34 -6.676 -2.981 -5.386 1.00 0.00 C ATOM 520 C HIS A 34 -6.041 -3.925 -4.372 1.00 0.00 C ATOM 521 O HIS A 34 -5.132 -4.686 -4.701 1.00 0.00 O ATOM 522 CB HIS A 34 -7.200 -3.773 -6.585 1.00 0.00 C ATOM 523 CG HIS A 34 -8.017 -2.951 -7.531 1.00 0.00 C ATOM 524 ND1 HIS A 34 -7.510 -2.414 -8.696 1.00 0.00 N ATOM 525 CD2 HIS A 34 -9.317 -2.573 -7.480 1.00 0.00 C ATOM 526 CE1 HIS A 34 -8.461 -1.741 -9.318 1.00 0.00 C ATOM 527 NE2 HIS A 34 -9.566 -1.822 -8.601 1.00 0.00 N ATOM 0 H HIS A 34 -5.141 -2.252 -6.615 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.514 -2.471 -4.910 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.355 -4.202 -7.125 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.804 -4.606 -6.225 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -10.025 -2.817 -6.702 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.353 -1.214 -10.254 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -10.461 -1.395 -8.841 1.00 0.00 H new ATOM 536 N VAL A 35 -6.530 -3.871 -3.136 1.00 0.00 N ATOM 537 CA VAL A 35 -6.006 -4.712 -2.067 1.00 0.00 C ATOM 538 C VAL A 35 -6.451 -6.162 -2.233 1.00 0.00 C ATOM 539 O VAL A 35 -7.628 -6.439 -2.466 1.00 0.00 O ATOM 540 CB VAL A 35 -6.457 -4.206 -0.682 1.00 0.00 C ATOM 541 CG1 VAL A 35 -5.771 -4.988 0.427 1.00 0.00 C ATOM 542 CG2 VAL A 35 -6.183 -2.716 -0.543 1.00 0.00 C ATOM 0 H VAL A 35 -7.289 -3.252 -2.851 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.919 -4.660 -2.132 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.532 -4.365 -0.592 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.104 -4.614 1.395 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.026 -6.044 0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.691 -4.867 0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.508 -2.377 0.441 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.115 -2.530 -0.657 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.730 -2.172 -1.313 1.00 0.00 H new ATOM 552 N THR A 36 -5.500 -7.082 -2.109 1.00 0.00 N ATOM 553 CA THR A 36 -5.786 -8.506 -2.233 1.00 0.00 C ATOM 554 C THR A 36 -5.528 -9.219 -0.912 1.00 0.00 C ATOM 555 O THR A 36 -5.993 -10.338 -0.694 1.00 0.00 O ATOM 556 CB THR A 36 -4.931 -9.160 -3.335 1.00 0.00 C ATOM 557 OG1 THR A 36 -3.539 -8.987 -3.046 1.00 0.00 O ATOM 558 CG2 THR A 36 -5.250 -8.557 -4.695 1.00 0.00 C ATOM 0 H THR A 36 -4.521 -6.865 -1.922 1.00 0.00 H new ATOM 0 HA THR A 36 -6.837 -8.602 -2.504 1.00 0.00 H new ATOM 0 HB THR A 36 -5.165 -10.224 -3.361 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.004 -9.407 -3.751 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.635 -9.034 -5.458 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.303 -8.717 -4.926 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.041 -7.487 -4.677 1.00 0.00 H new ATOM 566 N ARG A 37 -4.785 -8.552 -0.035 1.00 0.00 N ATOM 567 CA ARG A 37 -4.453 -9.094 1.277 1.00 0.00 C ATOM 568 C ARG A 37 -4.297 -7.962 2.286 1.00 0.00 C ATOM 569 O ARG A 37 -3.276 -7.273 2.306 1.00 0.00 O ATOM 570 CB ARG A 37 -3.159 -9.912 1.209 1.00 0.00 C ATOM 571 CG ARG A 37 -3.266 -11.161 0.350 1.00 0.00 C ATOM 572 CD ARG A 37 -1.946 -11.913 0.299 1.00 0.00 C ATOM 573 NE ARG A 37 -2.035 -13.128 -0.507 1.00 0.00 N ATOM 574 CZ ARG A 37 -1.002 -13.929 -0.747 1.00 0.00 C ATOM 575 NH1 ARG A 37 0.194 -13.643 -0.249 1.00 0.00 N ATOM 576 NH2 ARG A 37 -1.163 -15.019 -1.485 1.00 0.00 N ATOM 0 H ARG A 37 -4.398 -7.625 -0.213 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.264 -9.749 1.596 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.361 -9.281 0.817 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.870 -10.201 2.219 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.043 -11.813 0.749 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.569 -10.885 -0.660 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.174 -11.262 -0.112 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.638 -12.172 1.312 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.940 -13.375 -0.908 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.323 -12.806 0.320 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.985 -14.260 -0.435 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.081 -15.244 -1.869 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.369 -15.633 -1.668 1.00 0.00 H new ATOM 590 N VAL A 38 -5.314 -7.772 3.120 1.00 0.00 N ATOM 591 CA VAL A 38 -5.288 -6.712 4.121 1.00 0.00 C ATOM 592 C VAL A 38 -5.114 -7.276 5.529 1.00 0.00 C ATOM 593 O VAL A 38 -6.023 -7.892 6.085 1.00 0.00 O ATOM 594 CB VAL A 38 -6.571 -5.851 4.059 1.00 0.00 C ATOM 595 CG1 VAL A 38 -7.809 -6.729 3.964 1.00 0.00 C ATOM 596 CG2 VAL A 38 -6.662 -4.923 5.261 1.00 0.00 C ATOM 0 H VAL A 38 -6.164 -8.336 3.123 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.430 -6.081 3.892 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.519 -5.237 3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.698 -6.100 3.922 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.753 -7.340 3.063 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.864 -7.377 4.839 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.573 -4.328 5.193 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.682 -5.514 6.176 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.797 -4.260 5.275 1.00 0.00 H new ATOM 650 N TRP A 43 1.750 -3.213 6.503 1.00 0.00 N ATOM 651 CA TRP A 43 2.021 -3.364 5.077 1.00 0.00 C ATOM 652 C TRP A 43 0.959 -4.215 4.391 1.00 0.00 C ATOM 653 O TRP A 43 0.643 -5.316 4.842 1.00 0.00 O ATOM 654 CB TRP A 43 3.399 -3.989 4.866 1.00 0.00 C ATOM 655 CG TRP A 43 4.502 -2.983 4.792 1.00 0.00 C ATOM 656 CD1 TRP A 43 5.234 -2.488 5.833 1.00 0.00 C ATOM 657 CD2 TRP A 43 5.000 -2.347 3.611 1.00 0.00 C ATOM 658 NE1 TRP A 43 6.158 -1.581 5.369 1.00 0.00 N ATOM 659 CE2 TRP A 43 6.035 -1.480 4.008 1.00 0.00 C ATOM 660 CE3 TRP A 43 4.670 -2.429 2.254 1.00 0.00 C ATOM 661 CZ2 TRP A 43 6.744 -0.701 3.097 1.00 0.00 C ATOM 662 CZ3 TRP A 43 5.375 -1.655 1.352 1.00 0.00 C ATOM 663 CH2 TRP A 43 6.403 -0.801 1.776 1.00 0.00 C ATOM 0 HA TRP A 43 1.999 -2.370 4.630 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.604 -4.683 5.682 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.388 -4.573 3.946 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.106 -2.768 6.868 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.826 -1.067 5.944 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.880 -3.084 1.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.535 -0.041 3.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.130 -1.709 0.302 1.00 0.00 H new ATOM 0 HH2 TRP A 43 6.936 -0.211 1.045 1.00 0.00 H new ATOM 674 N TRP A 44 0.413 -3.696 3.293 1.00 0.00 N ATOM 675 CA TRP A 44 -0.608 -4.408 2.531 1.00 0.00 C ATOM 676 C TRP A 44 -0.131 -4.674 1.107 1.00 0.00 C ATOM 677 O TRP A 44 0.588 -3.865 0.523 1.00 0.00 O ATOM 678 CB TRP A 44 -1.911 -3.603 2.486 1.00 0.00 C ATOM 679 CG TRP A 44 -2.549 -3.389 3.826 1.00 0.00 C ATOM 680 CD1 TRP A 44 -2.262 -4.040 4.994 1.00 0.00 C ATOM 681 CD2 TRP A 44 -3.594 -2.460 4.133 1.00 0.00 C ATOM 682 NE1 TRP A 44 -3.060 -3.566 6.006 1.00 0.00 N ATOM 683 CE2 TRP A 44 -3.887 -2.596 5.502 1.00 0.00 C ATOM 684 CE3 TRP A 44 -4.309 -1.523 3.381 1.00 0.00 C ATOM 685 CZ2 TRP A 44 -4.864 -1.831 6.134 1.00 0.00 C ATOM 686 CZ3 TRP A 44 -5.278 -0.766 4.009 1.00 0.00 C ATOM 687 CH2 TRP A 44 -5.548 -0.923 5.373 1.00 0.00 C ATOM 0 H TRP A 44 0.662 -2.783 2.912 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.792 -5.359 3.031 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.710 -2.632 2.033 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.620 -4.117 1.837 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.517 -4.814 5.104 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -3.041 -3.884 6.975 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.107 -1.394 2.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -5.074 -1.950 7.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.837 -0.040 3.438 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.312 -0.315 5.834 1.00 0.00 H new ATOM 698 N GLU A 45 -0.537 -5.811 0.555 1.00 0.00 N ATOM 699 CA GLU A 45 -0.160 -6.182 -0.806 1.00 0.00 C ATOM 700 C GLU A 45 -1.356 -6.057 -1.745 1.00 0.00 C ATOM 701 O GLU A 45 -2.469 -6.456 -1.401 1.00 0.00 O ATOM 702 CB GLU A 45 0.383 -7.612 -0.837 1.00 0.00 C ATOM 703 CG GLU A 45 0.934 -8.025 -2.193 1.00 0.00 C ATOM 704 CD GLU A 45 1.363 -9.479 -2.227 1.00 0.00 C ATOM 705 OE1 GLU A 45 0.506 -10.344 -2.508 1.00 0.00 O ATOM 706 OE2 GLU A 45 2.554 -9.753 -1.972 1.00 0.00 O ATOM 0 H GLU A 45 -1.128 -6.494 1.029 1.00 0.00 H new ATOM 0 HA GLU A 45 0.622 -5.501 -1.143 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.170 -7.709 -0.089 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.413 -8.300 -0.553 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.175 -7.855 -2.957 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.785 -7.392 -2.444 1.00 0.00 H new ATOM 713 N GLY A 46 -1.121 -5.503 -2.931 1.00 0.00 N ATOM 714 CA GLY A 46 -2.195 -5.337 -3.895 1.00 0.00 C ATOM 715 C GLY A 46 -1.715 -5.415 -5.330 1.00 0.00 C ATOM 716 O GLY A 46 -0.617 -5.904 -5.598 1.00 0.00 O ATOM 0 H GLY A 46 -0.209 -5.167 -3.241 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.949 -6.106 -3.727 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.679 -4.374 -3.731 1.00 0.00 H new ATOM 720 N THR A 47 -2.541 -4.932 -6.254 1.00 0.00 N ATOM 721 CA THR A 47 -2.201 -4.954 -7.671 1.00 0.00 C ATOM 722 C THR A 47 -2.489 -3.609 -8.333 1.00 0.00 C ATOM 723 O THR A 47 -3.408 -2.894 -7.936 1.00 0.00 O ATOM 724 CB THR A 47 -2.982 -6.058 -8.412 1.00 0.00 C ATOM 725 OG1 THR A 47 -2.719 -7.332 -7.811 1.00 0.00 O ATOM 726 CG2 THR A 47 -2.601 -6.100 -9.884 1.00 0.00 C ATOM 0 H THR A 47 -3.451 -4.521 -6.045 1.00 0.00 H new ATOM 0 HA THR A 47 -1.133 -5.161 -7.738 1.00 0.00 H new ATOM 0 HB THR A 47 -4.045 -5.831 -8.335 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.220 -8.028 -8.286 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.166 -6.887 -10.384 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.829 -5.140 -10.347 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.534 -6.303 -9.978 1.00 0.00 H new ATOM 734 N LEU A 48 -1.693 -3.276 -9.345 1.00 0.00 N ATOM 735 CA LEU A 48 -1.856 -2.026 -10.080 1.00 0.00 C ATOM 736 C LEU A 48 -1.402 -2.199 -11.528 1.00 0.00 C ATOM 737 O LEU A 48 -0.671 -3.136 -11.849 1.00 0.00 O ATOM 738 CB LEU A 48 -1.067 -0.898 -9.404 1.00 0.00 C ATOM 739 CG LEU A 48 -1.249 0.493 -10.022 1.00 0.00 C ATOM 740 CD1 LEU A 48 -2.722 0.869 -10.082 1.00 0.00 C ATOM 741 CD2 LEU A 48 -0.472 1.535 -9.230 1.00 0.00 C ATOM 0 H LEU A 48 -0.924 -3.859 -9.676 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.912 -1.758 -10.076 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.358 -0.852 -8.355 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.007 -1.153 -9.430 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.859 0.465 -11.039 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.827 1.860 -10.524 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.259 0.141 -10.691 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.137 0.876 -9.074 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.613 2.516 -9.683 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.834 1.555 -8.202 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.588 1.281 -9.237 1.00 0.00 H new ATOM 753 N ASN A 49 -1.842 -1.293 -12.396 1.00 0.00 N ATOM 754 CA ASN A 49 -1.492 -1.350 -13.812 1.00 0.00 C ATOM 755 C ASN A 49 0.020 -1.417 -14.016 1.00 0.00 C ATOM 756 O ASN A 49 0.720 -0.414 -13.881 1.00 0.00 O ATOM 757 CB ASN A 49 -2.057 -0.134 -14.548 1.00 0.00 C ATOM 758 CG ASN A 49 -3.567 -0.049 -14.457 1.00 0.00 C ATOM 759 OD1 ASN A 49 -4.255 -1.067 -14.372 1.00 0.00 O ATOM 760 ND2 ASN A 49 -4.094 1.170 -14.475 1.00 0.00 N ATOM 0 H ASN A 49 -2.443 -0.509 -12.143 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.931 -2.260 -14.221 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.620 0.774 -14.132 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.762 -0.179 -15.596 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.105 1.289 -14.417 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.487 1.987 -14.547 1.00 0.00 H new ATOM 767 N GLY A 50 0.515 -2.610 -14.339 1.00 0.00 N ATOM 768 CA GLY A 50 1.938 -2.791 -14.571 1.00 0.00 C ATOM 769 C GLY A 50 2.747 -2.878 -13.290 1.00 0.00 C ATOM 770 O GLY A 50 3.912 -3.276 -13.314 1.00 0.00 O ATOM 0 H GLY A 50 -0.046 -3.456 -14.444 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.092 -3.700 -15.153 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.310 -1.961 -15.172 1.00 0.00 H new ATOM 774 N ARG A 51 2.134 -2.506 -12.173 1.00 0.00 N ATOM 775 CA ARG A 51 2.813 -2.543 -10.883 1.00 0.00 C ATOM 776 C ARG A 51 2.092 -3.474 -9.914 1.00 0.00 C ATOM 777 O ARG A 51 0.955 -3.217 -9.524 1.00 0.00 O ATOM 778 CB ARG A 51 2.900 -1.135 -10.292 1.00 0.00 C ATOM 779 CG ARG A 51 3.662 -0.156 -11.171 1.00 0.00 C ATOM 780 CD ARG A 51 3.594 1.260 -10.623 1.00 0.00 C ATOM 781 NE ARG A 51 4.302 2.208 -11.478 1.00 0.00 N ATOM 782 CZ ARG A 51 4.321 3.521 -11.268 1.00 0.00 C ATOM 783 NH1 ARG A 51 3.667 4.040 -10.236 1.00 0.00 N ATOM 784 NH2 ARG A 51 4.993 4.316 -12.088 1.00 0.00 N ATOM 0 H ARG A 51 1.170 -2.176 -12.134 1.00 0.00 H new ATOM 0 HA ARG A 51 3.821 -2.927 -11.040 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.892 -0.755 -10.128 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.383 -1.188 -9.316 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.704 -0.468 -11.245 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.250 -0.176 -12.180 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.551 1.564 -10.530 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.024 1.283 -9.622 1.00 0.00 H new ATOM 0 HE ARG A 51 4.811 1.842 -12.283 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.149 3.431 -9.602 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.683 5.047 -10.077 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.497 3.921 -12.882 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.006 5.323 -11.925 1.00 0.00 H new ATOM 798 N THR A 52 2.764 -4.553 -9.524 1.00 0.00 N ATOM 799 CA THR A 52 2.183 -5.520 -8.602 1.00 0.00 C ATOM 800 C THR A 52 3.162 -5.879 -7.489 1.00 0.00 C ATOM 801 O THR A 52 4.284 -6.312 -7.749 1.00 0.00 O ATOM 802 CB THR A 52 1.757 -6.809 -9.331 1.00 0.00 C ATOM 803 OG1 THR A 52 0.817 -6.498 -10.366 1.00 0.00 O ATOM 804 CG2 THR A 52 1.137 -7.804 -8.360 1.00 0.00 C ATOM 0 H THR A 52 3.710 -4.778 -9.832 1.00 0.00 H new ATOM 0 HA THR A 52 1.301 -5.049 -8.168 1.00 0.00 H new ATOM 0 HB THR A 52 2.646 -7.261 -9.770 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.552 -7.322 -10.826 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.845 -8.705 -8.899 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.864 -8.062 -7.590 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.258 -7.359 -7.895 1.00 0.00 H new ATOM 812 N GLY A 53 2.722 -5.696 -6.249 1.00 0.00 N ATOM 813 CA GLY A 53 3.562 -6.002 -5.108 1.00 0.00 C ATOM 814 C GLY A 53 3.038 -5.384 -3.827 1.00 0.00 C ATOM 815 O GLY A 53 1.865 -5.021 -3.742 1.00 0.00 O ATOM 0 H GLY A 53 1.795 -5.340 -6.014 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.627 -7.083 -4.987 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.573 -5.641 -5.296 1.00 0.00 H new ATOM 819 N TRP A 54 3.908 -5.265 -2.830 1.00 0.00 N ATOM 820 CA TRP A 54 3.525 -4.685 -1.548 1.00 0.00 C ATOM 821 C TRP A 54 3.537 -3.160 -1.613 1.00 0.00 C ATOM 822 O TRP A 54 4.243 -2.569 -2.430 1.00 0.00 O ATOM 823 CB TRP A 54 4.467 -5.166 -0.442 1.00 0.00 C ATOM 824 CG TRP A 54 4.361 -6.635 -0.161 1.00 0.00 C ATOM 825 CD1 TRP A 54 4.969 -7.647 -0.847 1.00 0.00 C ATOM 826 CD2 TRP A 54 3.602 -7.256 0.884 1.00 0.00 C ATOM 827 NE1 TRP A 54 4.633 -8.860 -0.294 1.00 0.00 N ATOM 828 CE2 TRP A 54 3.797 -8.646 0.770 1.00 0.00 C ATOM 829 CE3 TRP A 54 2.778 -6.773 1.905 1.00 0.00 C ATOM 830 CZ2 TRP A 54 3.197 -9.555 1.637 1.00 0.00 C ATOM 831 CZ3 TRP A 54 2.183 -7.677 2.765 1.00 0.00 C ATOM 832 CH2 TRP A 54 2.396 -9.055 2.627 1.00 0.00 C ATOM 0 H TRP A 54 4.882 -5.562 -2.885 1.00 0.00 H new ATOM 0 HA TRP A 54 2.511 -5.013 -1.320 1.00 0.00 H new ATOM 0 HB2 TRP A 54 5.494 -4.931 -0.723 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.253 -4.613 0.473 1.00 0.00 H new ATOM 0 HD1 TRP A 54 5.619 -7.514 -1.699 1.00 0.00 H new ATOM 0 HE1 TRP A 54 4.954 -9.771 -0.622 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.609 -5.712 2.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 3.358 -10.618 1.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.543 -7.315 3.556 1.00 0.00 H new ATOM 0 HH2 TRP A 54 1.918 -9.736 3.316 1.00 0.00 H new ATOM 843 N PHE A 55 2.750 -2.532 -0.745 1.00 0.00 N ATOM 844 CA PHE A 55 2.671 -1.076 -0.694 1.00 0.00 C ATOM 845 C PHE A 55 2.345 -0.609 0.725 1.00 0.00 C ATOM 846 O PHE A 55 1.576 -1.258 1.433 1.00 0.00 O ATOM 847 CB PHE A 55 1.617 -0.558 -1.678 1.00 0.00 C ATOM 848 CG PHE A 55 0.218 -1.022 -1.382 1.00 0.00 C ATOM 849 CD1 PHE A 55 -0.244 -2.229 -1.879 1.00 0.00 C ATOM 850 CD2 PHE A 55 -0.635 -0.250 -0.611 1.00 0.00 C ATOM 851 CE1 PHE A 55 -1.531 -2.657 -1.612 1.00 0.00 C ATOM 852 CE2 PHE A 55 -1.922 -0.672 -0.342 1.00 0.00 C ATOM 853 CZ PHE A 55 -2.371 -1.877 -0.843 1.00 0.00 C ATOM 0 H PHE A 55 2.157 -3.009 -0.066 1.00 0.00 H new ATOM 0 HA PHE A 55 3.641 -0.670 -0.981 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.635 0.532 -1.672 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.888 -0.876 -2.685 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.409 -2.843 -2.482 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.289 0.694 -0.215 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.879 -3.601 -2.005 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.577 -0.059 0.260 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.377 -2.209 -0.634 1.00 0.00 H new ATOM 863 N PRO A 56 2.932 0.523 1.164 1.00 0.00 N ATOM 864 CA PRO A 56 2.700 1.061 2.510 1.00 0.00 C ATOM 865 C PRO A 56 1.218 1.216 2.826 1.00 0.00 C ATOM 866 O PRO A 56 0.382 1.232 1.924 1.00 0.00 O ATOM 867 CB PRO A 56 3.384 2.429 2.475 1.00 0.00 C ATOM 868 CG PRO A 56 4.426 2.306 1.418 1.00 0.00 C ATOM 869 CD PRO A 56 3.860 1.369 0.386 1.00 0.00 C ATOM 0 HA PRO A 56 3.088 0.397 3.282 1.00 0.00 H new ATOM 0 HB2 PRO A 56 2.673 3.221 2.239 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.827 2.675 3.440 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.654 3.278 0.980 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.357 1.916 1.831 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.342 1.909 -0.407 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.641 0.776 -0.090 1.00 0.00 H new ATOM 877 N SER A 57 0.902 1.327 4.112 1.00 0.00 N ATOM 878 CA SER A 57 -0.480 1.484 4.551 1.00 0.00 C ATOM 879 C SER A 57 -0.733 2.905 5.044 1.00 0.00 C ATOM 880 O SER A 57 -1.873 3.370 5.066 1.00 0.00 O ATOM 881 CB SER A 57 -0.801 0.484 5.663 1.00 0.00 C ATOM 882 OG SER A 57 0.012 0.709 6.801 1.00 0.00 O ATOM 0 H SER A 57 1.585 1.311 4.869 1.00 0.00 H new ATOM 0 HA SER A 57 -1.131 1.290 3.698 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.852 0.569 5.940 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.648 -0.532 5.298 1.00 0.00 H new ATOM 0 HG SER A 57 -0.214 0.058 7.498 1.00 0.00 H new ATOM 888 N ASN A 58 0.337 3.588 5.437 1.00 0.00 N ATOM 889 CA ASN A 58 0.232 4.955 5.930 1.00 0.00 C ATOM 890 C ASN A 58 0.263 5.956 4.778 1.00 0.00 C ATOM 891 O ASN A 58 -0.106 7.118 4.944 1.00 0.00 O ATOM 892 CB ASN A 58 1.363 5.255 6.915 1.00 0.00 C ATOM 893 CG ASN A 58 1.270 4.419 8.176 1.00 0.00 C ATOM 894 OD1 ASN A 58 0.181 4.032 8.601 1.00 0.00 O ATOM 895 ND2 ASN A 58 2.416 4.136 8.784 1.00 0.00 N ATOM 0 H ASN A 58 1.287 3.216 5.423 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.723 5.054 6.446 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.322 5.070 6.430 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.339 6.312 7.181 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.416 3.578 9.638 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.296 4.477 8.397 1.00 0.00 H new ATOM 902 N TYR A 59 0.713 5.497 3.615 1.00 0.00 N ATOM 903 CA TYR A 59 0.788 6.350 2.433 1.00 0.00 C ATOM 904 C TYR A 59 -0.449 6.175 1.559 1.00 0.00 C ATOM 905 O TYR A 59 -0.582 6.819 0.518 1.00 0.00 O ATOM 906 CB TYR A 59 2.054 6.042 1.631 1.00 0.00 C ATOM 907 CG TYR A 59 3.224 6.938 1.976 1.00 0.00 C ATOM 908 CD1 TYR A 59 3.540 7.229 3.299 1.00 0.00 C ATOM 909 CD2 TYR A 59 4.010 7.499 0.977 1.00 0.00 C ATOM 910 CE1 TYR A 59 4.606 8.053 3.614 1.00 0.00 C ATOM 911 CE2 TYR A 59 5.076 8.323 1.285 1.00 0.00 C ATOM 912 CZ TYR A 59 5.370 8.596 2.603 1.00 0.00 C ATOM 913 OH TYR A 59 6.430 9.417 2.912 1.00 0.00 O ATOM 0 H TYR A 59 1.031 4.540 3.465 1.00 0.00 H new ATOM 0 HA TYR A 59 0.829 7.388 2.764 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.339 5.004 1.803 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.833 6.140 0.568 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.944 6.805 4.093 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.784 7.288 -0.058 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.838 8.270 4.646 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.676 8.751 0.496 1.00 0.00 H new ATOM 0 HH TYR A 59 6.865 9.715 2.086 1.00 0.00 H new ATOM 923 N VAL A 60 -1.345 5.291 1.985 1.00 0.00 N ATOM 924 CA VAL A 60 -2.580 5.032 1.254 1.00 0.00 C ATOM 925 C VAL A 60 -3.780 5.063 2.199 1.00 0.00 C ATOM 926 O VAL A 60 -3.652 4.750 3.383 1.00 0.00 O ATOM 927 CB VAL A 60 -2.532 3.674 0.528 1.00 0.00 C ATOM 928 CG1 VAL A 60 -1.502 3.702 -0.589 1.00 0.00 C ATOM 929 CG2 VAL A 60 -2.229 2.550 1.508 1.00 0.00 C ATOM 0 H VAL A 60 -1.238 4.740 2.837 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.687 5.819 0.507 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.511 3.487 0.088 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.482 2.734 -1.090 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.766 4.478 -1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.518 3.914 -0.171 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.200 1.600 0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.264 2.730 1.981 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.006 2.513 2.271 1.00 0.00 H new ATOM 939 N ARG A 61 -4.944 5.440 1.675 1.00 0.00 N ATOM 940 CA ARG A 61 -6.156 5.516 2.488 1.00 0.00 C ATOM 941 C ARG A 61 -7.337 4.847 1.789 1.00 0.00 C ATOM 942 O ARG A 61 -7.489 4.947 0.572 1.00 0.00 O ATOM 943 CB ARG A 61 -6.493 6.976 2.801 1.00 0.00 C ATOM 944 CG ARG A 61 -6.735 7.824 1.563 1.00 0.00 C ATOM 945 CD ARG A 61 -7.044 9.267 1.928 1.00 0.00 C ATOM 946 NE ARG A 61 -5.958 9.886 2.682 1.00 0.00 N ATOM 947 CZ ARG A 61 -5.855 11.196 2.889 1.00 0.00 C ATOM 948 NH1 ARG A 61 -6.771 12.022 2.401 1.00 0.00 N ATOM 949 NH2 ARG A 61 -4.837 11.681 3.586 1.00 0.00 N ATOM 0 H ARG A 61 -5.074 5.696 0.696 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.967 4.983 3.420 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.381 7.008 3.432 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.677 7.413 3.377 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.855 7.791 0.920 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.564 7.407 0.991 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.226 9.840 1.019 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.961 9.304 2.517 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.237 9.279 3.072 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.557 11.653 1.866 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.690 13.026 2.561 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.131 11.049 3.965 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.760 12.686 3.744 1.00 0.00 H new ATOM 963 N GLU A 62 -8.169 4.166 2.574 1.00 0.00 N ATOM 964 CA GLU A 62 -9.337 3.469 2.043 1.00 0.00 C ATOM 965 C GLU A 62 -10.212 4.402 1.213 1.00 0.00 C ATOM 966 O GLU A 62 -10.727 5.401 1.717 1.00 0.00 O ATOM 967 CB GLU A 62 -10.158 2.866 3.186 1.00 0.00 C ATOM 968 CG GLU A 62 -11.374 2.082 2.716 1.00 0.00 C ATOM 969 CD GLU A 62 -12.161 1.482 3.866 1.00 0.00 C ATOM 970 OE1 GLU A 62 -13.047 2.177 4.406 1.00 0.00 O ATOM 971 OE2 GLU A 62 -11.890 0.317 4.227 1.00 0.00 O ATOM 0 H GLU A 62 -8.055 4.082 3.584 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.981 2.670 1.393 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.518 2.209 3.774 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.487 3.667 3.848 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.025 2.739 2.139 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.051 1.285 2.046 1.00 0.00 H new ATOM 978 N VAL A 63 -10.374 4.068 -0.064 1.00 0.00 N ATOM 979 CA VAL A 63 -11.189 4.869 -0.971 1.00 0.00 C ATOM 980 C VAL A 63 -12.510 4.172 -1.282 1.00 0.00 C ATOM 981 O VAL A 63 -12.570 2.945 -1.374 1.00 0.00 O ATOM 982 CB VAL A 63 -10.442 5.157 -2.289 1.00 0.00 C ATOM 983 CG1 VAL A 63 -10.091 3.860 -3.005 1.00 0.00 C ATOM 984 CG2 VAL A 63 -11.270 6.064 -3.187 1.00 0.00 C ATOM 0 H VAL A 63 -9.950 3.246 -0.495 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.393 5.814 -0.467 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.512 5.673 -2.049 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.565 4.087 -3.932 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.452 3.252 -2.364 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -11.005 3.311 -3.232 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.726 6.255 -4.112 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.219 5.580 -3.418 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.459 7.008 -2.676 1.00 0.00 H new