USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 606 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 THR OG1 : rot -150:sc= 0.108 USER MOD Set 1.2: A 10 HIS : no HD1:sc= 0.0691 K(o=0.22,f=-0.61) USER MOD Set 1.3: A 84 ASN :FLIP amide:sc= 0.0453 F(o=-2.4,f=0.22) USER MOD Set 2.1: A 22 SER OG : rot -169:sc= 0.0103 USER MOD Set 2.2: A 40 SER OG : rot 171:sc= -0.677 USER MOD Single : A 4 GLN :FLIP amide:sc= -3.47! C(o=-4.5!,f=-3.5!) USER MOD Single : A 5 HIS : no HD1:sc= -0.352 K(o=-0.35,f=-1.6) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.71 USER MOD Single : A 36 SER OG : rot -24:sc= 0.0587 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.15 K(o=-0.15,f=-0.85) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 60 MET CE :methyl -164:sc= -0.0284 (180deg=-0.347) USER MOD Single : A 62 ASN : amide:sc= 0.691 K(o=0.69,f=-0.0047) USER MOD Single : A 65 SER OG : rot 180:sc= 0.0808 USER MOD Single : A 66 MET CE :methyl -113:sc= -8.43! (180deg=-18.8!) USER MOD Single : A 68 ASN : amide:sc= -2.06 K(o=-2.1,f=-7.7!) USER MOD Single : A 71 HIS :FLIP no HE2:sc= -0.0493 F(o=-0.68,f=-0.049) USER MOD Single : A 76 GLN : amide:sc= -3.73 K(o=-3.7,f=-7.9!) USER MOD Single : A 77 GLN : amide:sc= -3.52! C(o=-3.5!,f=-4.5!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 91:sc= -2.39! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot -150:sc= -1.2 USER MOD ----------------------------------------------------------------- ATOM 134 N GLU A 3 3.770 5.593 -11.552 1.00 0.00 N ATOM 135 CA GLU A 3 3.419 4.592 -12.554 1.00 0.00 C ATOM 136 C GLU A 3 2.933 3.316 -11.878 1.00 0.00 C ATOM 137 O GLU A 3 3.290 3.042 -10.737 1.00 0.00 O ATOM 138 CB GLU A 3 4.622 4.287 -13.448 1.00 0.00 C ATOM 139 CG GLU A 3 4.248 4.000 -14.893 1.00 0.00 C ATOM 140 CD GLU A 3 5.150 4.715 -15.882 1.00 0.00 C ATOM 141 OE1 GLU A 3 6.213 4.158 -16.226 1.00 0.00 O ATOM 142 OE2 GLU A 3 4.791 5.831 -16.313 1.00 0.00 O ATOM 0 HA GLU A 3 2.615 4.990 -13.174 1.00 0.00 H new ATOM 0 HB2 GLU A 3 5.309 5.133 -13.420 1.00 0.00 H new ATOM 0 HB3 GLU A 3 5.157 3.428 -13.042 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.299 2.926 -15.071 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.215 4.303 -15.064 1.00 0.00 H new ATOM 149 N GLN A 4 2.110 2.543 -12.582 1.00 0.00 N ATOM 150 CA GLN A 4 1.570 1.304 -12.033 1.00 0.00 C ATOM 151 C GLN A 4 2.227 0.082 -12.664 1.00 0.00 C ATOM 152 O GLN A 4 2.393 0.007 -13.881 1.00 0.00 O ATOM 153 CB GLN A 4 0.057 1.243 -12.256 1.00 0.00 C ATOM 154 CG GLN A 4 -0.609 0.046 -11.595 1.00 0.00 C ATOM 155 CD GLN A 4 -2.007 -0.206 -12.121 1.00 0.00 C ATOM 156 OE1 GLN A 4 -2.838 -0.849 -11.308 1.00 0.00 O flip ATOM 157 NE2 GLN A 4 -2.339 0.173 -13.244 1.00 0.00 N flip ATOM 0 H GLN A 4 1.803 2.753 -13.532 1.00 0.00 H new ATOM 0 HA GLN A 4 1.784 1.295 -10.964 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -0.395 2.157 -11.872 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.143 1.214 -13.327 1.00 0.00 H new ATOM 0 HG2 GLN A 4 0.002 -0.842 -11.758 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -0.654 0.208 -10.518 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -1.668 0.664 -13.836 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -3.285 -0.003 -13.583 1.00 0.00 H new ATOM 166 N HIS A 5 2.598 -0.874 -11.817 1.00 0.00 N ATOM 167 CA HIS A 5 3.237 -2.102 -12.270 1.00 0.00 C ATOM 168 C HIS A 5 2.594 -3.323 -11.618 1.00 0.00 C ATOM 169 O HIS A 5 2.282 -3.313 -10.424 1.00 0.00 O ATOM 170 CB HIS A 5 4.732 -2.072 -11.953 1.00 0.00 C ATOM 171 CG HIS A 5 5.513 -1.145 -12.833 1.00 0.00 C ATOM 172 ND1 HIS A 5 5.296 0.216 -12.873 1.00 0.00 N ATOM 173 CD2 HIS A 5 6.515 -1.391 -13.710 1.00 0.00 C ATOM 174 CE1 HIS A 5 6.130 0.768 -13.737 1.00 0.00 C ATOM 175 NE2 HIS A 5 6.880 -0.186 -14.258 1.00 0.00 N ATOM 0 H HIS A 5 2.465 -0.819 -10.807 1.00 0.00 H new ATOM 0 HA HIS A 5 3.102 -2.174 -13.349 1.00 0.00 H new ATOM 0 HB2 HIS A 5 4.869 -1.774 -10.913 1.00 0.00 H new ATOM 0 HB3 HIS A 5 5.136 -3.080 -12.051 1.00 0.00 H new ATOM 0 HD2 HIS A 5 6.946 -2.355 -13.936 1.00 0.00 H new ATOM 0 HE1 HIS A 5 6.188 1.820 -13.976 1.00 0.00 H new ATOM 0 HE2 HIS A 5 7.612 -0.050 -14.955 1.00 0.00 H new ATOM 184 N THR A 6 2.401 -4.375 -12.408 1.00 0.00 N ATOM 185 CA THR A 6 1.800 -5.607 -11.912 1.00 0.00 C ATOM 186 C THR A 6 2.865 -6.683 -11.723 1.00 0.00 C ATOM 187 O THR A 6 3.534 -7.080 -12.676 1.00 0.00 O ATOM 188 CB THR A 6 0.724 -6.102 -12.879 1.00 0.00 C ATOM 189 OG1 THR A 6 0.253 -5.042 -13.691 1.00 0.00 O ATOM 190 CG2 THR A 6 -0.473 -6.713 -12.182 1.00 0.00 C ATOM 0 H THR A 6 2.653 -4.398 -13.396 1.00 0.00 H new ATOM 0 HA THR A 6 1.338 -5.398 -10.947 1.00 0.00 H new ATOM 0 HB THR A 6 1.208 -6.873 -13.478 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.433 -5.379 -14.304 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.198 -7.043 -12.926 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.150 -7.567 -11.586 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.934 -5.970 -11.532 1.00 0.00 H new ATOM 198 N VAL A 7 3.020 -7.149 -10.487 1.00 0.00 N ATOM 199 CA VAL A 7 4.009 -8.175 -10.177 1.00 0.00 C ATOM 200 C VAL A 7 3.363 -9.383 -9.506 1.00 0.00 C ATOM 201 O VAL A 7 2.332 -9.261 -8.843 1.00 0.00 O ATOM 202 CB VAL A 7 5.121 -7.624 -9.260 1.00 0.00 C ATOM 203 CG1 VAL A 7 6.223 -8.656 -9.074 1.00 0.00 C ATOM 204 CG2 VAL A 7 5.686 -6.328 -9.823 1.00 0.00 C ATOM 0 H VAL A 7 2.474 -6.833 -9.686 1.00 0.00 H new ATOM 0 HA VAL A 7 4.449 -8.485 -11.125 1.00 0.00 H new ATOM 0 HB VAL A 7 4.686 -7.411 -8.284 1.00 0.00 H new ATOM 0 HG11 VAL A 7 6.997 -8.248 -8.424 1.00 0.00 H new ATOM 0 HG12 VAL A 7 5.806 -9.556 -8.621 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.656 -8.905 -10.043 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.469 -5.955 -9.162 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.104 -6.513 -10.813 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.891 -5.587 -9.898 1.00 0.00 H new ATOM 214 N THR A 8 3.977 -10.549 -9.682 1.00 0.00 N ATOM 215 CA THR A 8 3.467 -11.783 -9.094 1.00 0.00 C ATOM 216 C THR A 8 4.390 -12.283 -7.990 1.00 0.00 C ATOM 217 O THR A 8 5.530 -12.670 -8.249 1.00 0.00 O ATOM 218 CB THR A 8 3.312 -12.859 -10.170 1.00 0.00 C ATOM 219 OG1 THR A 8 2.806 -14.058 -9.612 1.00 0.00 O ATOM 220 CG2 THR A 8 4.609 -13.191 -10.874 1.00 0.00 C ATOM 0 H THR A 8 4.830 -10.665 -10.228 1.00 0.00 H new ATOM 0 HA THR A 8 2.491 -11.571 -8.658 1.00 0.00 H new ATOM 0 HB THR A 8 2.618 -12.441 -10.899 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.140 -14.824 -10.125 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.429 -13.961 -11.625 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.999 -12.296 -11.358 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.335 -13.556 -10.147 1.00 0.00 H new ATOM 228 N LEU A 9 3.893 -12.275 -6.757 1.00 0.00 N ATOM 229 CA LEU A 9 4.677 -12.729 -5.614 1.00 0.00 C ATOM 230 C LEU A 9 4.195 -14.092 -5.129 1.00 0.00 C ATOM 231 O LEU A 9 3.064 -14.232 -4.665 1.00 0.00 O ATOM 232 CB LEU A 9 4.594 -11.712 -4.474 1.00 0.00 C ATOM 233 CG LEU A 9 4.846 -10.260 -4.882 1.00 0.00 C ATOM 234 CD1 LEU A 9 4.251 -9.306 -3.858 1.00 0.00 C ATOM 235 CD2 LEU A 9 6.337 -10.004 -5.047 1.00 0.00 C ATOM 0 H LEU A 9 2.951 -11.959 -6.524 1.00 0.00 H new ATOM 0 HA LEU A 9 5.715 -12.823 -5.934 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.606 -11.779 -4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.318 -11.989 -3.707 1.00 0.00 H new ATOM 0 HG LEU A 9 4.358 -10.083 -5.840 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.440 -8.278 -4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.176 -9.472 -3.788 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.710 -9.484 -2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.498 -8.966 -5.338 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.846 -10.200 -4.103 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.736 -10.663 -5.818 1.00 0.00 H new ATOM 247 N HIS A 10 5.061 -15.092 -5.238 1.00 0.00 N ATOM 248 CA HIS A 10 4.725 -16.444 -4.808 1.00 0.00 C ATOM 249 C HIS A 10 4.808 -16.565 -3.290 1.00 0.00 C ATOM 250 O HIS A 10 5.863 -16.340 -2.696 1.00 0.00 O ATOM 251 CB HIS A 10 5.663 -17.459 -5.466 1.00 0.00 C ATOM 252 CG HIS A 10 5.858 -17.231 -6.933 1.00 0.00 C ATOM 253 ND1 HIS A 10 6.790 -16.351 -7.440 1.00 0.00 N ATOM 254 CD2 HIS A 10 5.235 -17.775 -8.005 1.00 0.00 C ATOM 255 CE1 HIS A 10 6.733 -16.363 -8.760 1.00 0.00 C ATOM 256 NE2 HIS A 10 5.798 -17.219 -9.127 1.00 0.00 N ATOM 0 H HIS A 10 6.001 -14.992 -5.620 1.00 0.00 H new ATOM 0 HA HIS A 10 3.701 -16.655 -5.117 1.00 0.00 H new ATOM 0 HB2 HIS A 10 6.632 -17.421 -4.969 1.00 0.00 H new ATOM 0 HB3 HIS A 10 5.265 -18.462 -5.312 1.00 0.00 H new ATOM 0 HD2 HIS A 10 4.443 -18.509 -7.982 1.00 0.00 H new ATOM 0 HE1 HIS A 10 7.347 -15.773 -9.425 1.00 0.00 H new ATOM 0 HE2 HIS A 10 5.536 -17.433 -10.089 1.00 0.00 H new ATOM 265 N ARG A 11 3.689 -16.922 -2.667 1.00 0.00 N ATOM 266 CA ARG A 11 3.636 -17.073 -1.217 1.00 0.00 C ATOM 267 C ARG A 11 4.657 -18.101 -0.739 1.00 0.00 C ATOM 268 O ARG A 11 4.734 -19.208 -1.272 1.00 0.00 O ATOM 269 CB ARG A 11 2.231 -17.488 -0.777 1.00 0.00 C ATOM 270 CG ARG A 11 1.165 -16.450 -1.084 1.00 0.00 C ATOM 271 CD ARG A 11 -0.117 -16.723 -0.314 1.00 0.00 C ATOM 272 NE ARG A 11 -0.176 -15.972 0.938 1.00 0.00 N ATOM 273 CZ ARG A 11 -0.983 -16.281 1.951 1.00 0.00 C ATOM 274 NH1 ARG A 11 -1.800 -17.324 1.863 1.00 0.00 N ATOM 275 NH2 ARG A 11 -0.975 -15.545 3.053 1.00 0.00 N ATOM 0 H ARG A 11 2.807 -17.112 -3.143 1.00 0.00 H new ATOM 0 HA ARG A 11 3.880 -16.110 -0.767 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.967 -18.424 -1.269 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.238 -17.683 0.295 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.538 -15.458 -0.831 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.955 -16.448 -2.154 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.975 -16.462 -0.934 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.191 -17.789 -0.101 1.00 0.00 H new ATOM 0 HE ARG A 11 0.437 -15.163 1.042 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.811 -17.893 1.016 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.416 -17.556 2.642 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.351 -14.742 3.125 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.593 -15.782 3.829 1.00 0.00 H new ATOM 289 N ALA A 12 5.439 -17.729 0.270 1.00 0.00 N ATOM 290 CA ALA A 12 6.456 -18.619 0.818 1.00 0.00 C ATOM 291 C ALA A 12 6.130 -19.004 2.258 1.00 0.00 C ATOM 292 O ALA A 12 5.552 -18.214 3.004 1.00 0.00 O ATOM 293 CB ALA A 12 7.827 -17.965 0.741 1.00 0.00 C ATOM 0 H ALA A 12 5.388 -16.817 0.724 1.00 0.00 H new ATOM 0 HA ALA A 12 6.467 -19.530 0.220 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.576 -18.641 1.154 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.068 -17.747 -0.299 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.820 -17.038 1.314 1.00 0.00 H new ATOM 299 N PRO A 13 6.501 -20.229 2.670 1.00 0.00 N ATOM 300 CA PRO A 13 6.245 -20.714 4.030 1.00 0.00 C ATOM 301 C PRO A 13 6.772 -19.758 5.093 1.00 0.00 C ATOM 302 O PRO A 13 7.675 -18.962 4.833 1.00 0.00 O ATOM 303 CB PRO A 13 7.002 -22.043 4.085 1.00 0.00 C ATOM 304 CG PRO A 13 7.093 -22.489 2.667 1.00 0.00 C ATOM 305 CD PRO A 13 7.197 -21.235 1.845 1.00 0.00 C ATOM 0 HA PRO A 13 5.178 -20.808 4.234 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.992 -21.916 4.524 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.473 -22.774 4.696 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.962 -23.129 2.514 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.215 -23.070 2.383 1.00 0.00 H new ATOM 0 HD2 PRO A 13 8.235 -20.958 1.664 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.724 -21.353 0.870 1.00 0.00 H new ATOM 313 N GLY A 14 6.204 -19.841 6.291 1.00 0.00 N ATOM 314 CA GLY A 14 6.630 -18.976 7.376 1.00 0.00 C ATOM 315 C GLY A 14 5.872 -17.663 7.405 1.00 0.00 C ATOM 316 O GLY A 14 5.324 -17.278 8.437 1.00 0.00 O ATOM 0 H GLY A 14 5.456 -20.492 6.530 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.490 -19.493 8.325 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.697 -18.774 7.278 1.00 0.00 H new ATOM 320 N PHE A 15 5.842 -16.975 6.268 1.00 0.00 N ATOM 321 CA PHE A 15 5.145 -15.698 6.168 1.00 0.00 C ATOM 322 C PHE A 15 3.918 -15.815 5.269 1.00 0.00 C ATOM 323 O PHE A 15 2.784 -15.820 5.749 1.00 0.00 O ATOM 324 CB PHE A 15 6.089 -14.620 5.629 1.00 0.00 C ATOM 325 CG PHE A 15 7.281 -14.374 6.508 1.00 0.00 C ATOM 326 CD1 PHE A 15 7.119 -13.901 7.800 1.00 0.00 C ATOM 327 CD2 PHE A 15 8.563 -14.618 6.043 1.00 0.00 C ATOM 328 CE1 PHE A 15 8.215 -13.674 8.612 1.00 0.00 C ATOM 329 CE2 PHE A 15 9.662 -14.393 6.849 1.00 0.00 C ATOM 330 CZ PHE A 15 9.487 -13.920 8.136 1.00 0.00 C ATOM 0 H PHE A 15 6.291 -17.280 5.405 1.00 0.00 H new ATOM 0 HA PHE A 15 4.813 -15.414 7.167 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.433 -14.913 4.637 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.535 -13.689 5.512 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.126 -13.707 8.177 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.705 -14.988 5.038 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.076 -13.305 9.617 1.00 0.00 H new ATOM 0 HE2 PHE A 15 10.656 -14.586 6.474 1.00 0.00 H new ATOM 0 HZ PHE A 15 10.345 -13.743 8.768 1.00 0.00 H new ATOM 340 N GLY A 16 4.151 -15.913 3.963 1.00 0.00 N ATOM 341 CA GLY A 16 3.053 -16.033 3.022 1.00 0.00 C ATOM 342 C GLY A 16 2.980 -14.866 2.056 1.00 0.00 C ATOM 343 O GLY A 16 3.733 -14.808 1.084 1.00 0.00 O ATOM 0 H GLY A 16 5.080 -15.911 3.541 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.162 -16.960 2.458 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.115 -16.103 3.572 1.00 0.00 H new ATOM 347 N PHE A 17 2.068 -13.937 2.322 1.00 0.00 N ATOM 348 CA PHE A 17 1.895 -12.767 1.466 1.00 0.00 C ATOM 349 C PHE A 17 3.142 -11.890 1.475 1.00 0.00 C ATOM 350 O PHE A 17 3.517 -11.316 0.452 1.00 0.00 O ATOM 351 CB PHE A 17 0.682 -11.954 1.923 1.00 0.00 C ATOM 352 CG PHE A 17 -0.030 -11.256 0.800 1.00 0.00 C ATOM 353 CD1 PHE A 17 -0.412 -11.952 -0.336 1.00 0.00 C ATOM 354 CD2 PHE A 17 -0.319 -9.903 0.880 1.00 0.00 C ATOM 355 CE1 PHE A 17 -1.068 -11.312 -1.370 1.00 0.00 C ATOM 356 CE2 PHE A 17 -0.976 -9.258 -0.150 1.00 0.00 C ATOM 357 CZ PHE A 17 -1.349 -9.963 -1.277 1.00 0.00 C ATOM 0 H PHE A 17 1.437 -13.971 3.123 1.00 0.00 H new ATOM 0 HA PHE A 17 1.731 -13.116 0.447 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.019 -12.617 2.431 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.006 -11.213 2.653 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.194 -13.007 -0.414 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.027 -9.346 1.758 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.361 -11.866 -2.250 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.198 -8.204 -0.074 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.860 -9.460 -2.085 1.00 0.00 H new ATOM 367 N GLY A 18 3.783 -11.788 2.636 1.00 0.00 N ATOM 368 CA GLY A 18 4.982 -10.977 2.751 1.00 0.00 C ATOM 369 C GLY A 18 4.689 -9.555 3.191 1.00 0.00 C ATOM 370 O GLY A 18 5.578 -8.856 3.679 1.00 0.00 O ATOM 0 H GLY A 18 3.494 -12.252 3.497 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.662 -11.441 3.466 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.495 -10.957 1.790 1.00 0.00 H new ATOM 374 N ILE A 19 3.444 -9.122 3.017 1.00 0.00 N ATOM 375 CA ILE A 19 3.044 -7.774 3.398 1.00 0.00 C ATOM 376 C ILE A 19 1.670 -7.774 4.061 1.00 0.00 C ATOM 377 O ILE A 19 0.988 -8.798 4.098 1.00 0.00 O ATOM 378 CB ILE A 19 3.014 -6.830 2.181 1.00 0.00 C ATOM 379 CG1 ILE A 19 2.223 -7.464 1.034 1.00 0.00 C ATOM 380 CG2 ILE A 19 4.429 -6.495 1.735 1.00 0.00 C ATOM 381 CD1 ILE A 19 1.298 -6.496 0.331 1.00 0.00 C ATOM 0 H ILE A 19 2.696 -9.686 2.614 1.00 0.00 H new ATOM 0 HA ILE A 19 3.788 -7.414 4.109 1.00 0.00 H new ATOM 0 HB ILE A 19 2.517 -5.904 2.471 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.922 -7.879 0.308 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.637 -8.296 1.424 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.391 -5.827 0.874 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.961 -6.006 2.551 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.950 -7.412 1.460 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.770 -7.014 -0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.576 -6.099 1.045 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.881 -5.676 -0.089 1.00 0.00 H new ATOM 393 N ALA A 20 1.271 -6.619 4.584 1.00 0.00 N ATOM 394 CA ALA A 20 -0.021 -6.485 5.246 1.00 0.00 C ATOM 395 C ALA A 20 -0.884 -5.433 4.556 1.00 0.00 C ATOM 396 O ALA A 20 -0.521 -4.258 4.500 1.00 0.00 O ATOM 397 CB ALA A 20 0.172 -6.133 6.714 1.00 0.00 C ATOM 0 H ALA A 20 1.824 -5.762 4.562 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.538 -7.442 5.179 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.801 -6.036 7.196 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.743 -6.921 7.205 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.712 -5.190 6.794 1.00 0.00 H new ATOM 403 N ILE A 21 -2.027 -5.864 4.032 1.00 0.00 N ATOM 404 CA ILE A 21 -2.941 -4.956 3.345 1.00 0.00 C ATOM 405 C ILE A 21 -3.820 -4.201 4.340 1.00 0.00 C ATOM 406 O ILE A 21 -4.019 -4.646 5.469 1.00 0.00 O ATOM 407 CB ILE A 21 -3.835 -5.704 2.325 1.00 0.00 C ATOM 408 CG1 ILE A 21 -4.936 -6.512 3.029 1.00 0.00 C ATOM 409 CG2 ILE A 21 -2.989 -6.610 1.443 1.00 0.00 C ATOM 410 CD1 ILE A 21 -4.425 -7.702 3.811 1.00 0.00 C ATOM 0 H ILE A 21 -2.342 -6.833 4.069 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.324 -4.240 2.802 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.322 -4.958 1.697 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.479 -5.852 3.706 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -5.650 -6.861 2.282 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.632 -7.129 0.732 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -2.258 -6.010 0.901 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.471 -7.341 2.064 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.264 -8.218 4.277 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.907 -8.385 3.137 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.735 -7.361 4.583 1.00 0.00 H new ATOM 422 N SER A 22 -4.342 -3.056 3.911 1.00 0.00 N ATOM 423 CA SER A 22 -5.198 -2.240 4.764 1.00 0.00 C ATOM 424 C SER A 22 -6.165 -1.407 3.928 1.00 0.00 C ATOM 425 O SER A 22 -5.769 -0.782 2.945 1.00 0.00 O ATOM 426 CB SER A 22 -4.345 -1.322 5.642 1.00 0.00 C ATOM 427 OG SER A 22 -4.898 -1.200 6.941 1.00 0.00 O ATOM 0 H SER A 22 -4.187 -2.673 2.978 1.00 0.00 H new ATOM 0 HA SER A 22 -5.779 -2.907 5.400 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.332 -1.718 5.711 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.272 -0.337 5.181 1.00 0.00 H new ATOM 0 HG SER A 22 -4.441 -0.481 7.425 1.00 0.00 H new ATOM 433 N GLY A 23 -7.436 -1.399 4.325 1.00 0.00 N ATOM 434 CA GLY A 23 -8.435 -0.637 3.598 1.00 0.00 C ATOM 435 C GLY A 23 -9.845 -1.152 3.821 1.00 0.00 C ATOM 436 O GLY A 23 -10.183 -1.599 4.917 1.00 0.00 O ATOM 0 H GLY A 23 -7.790 -1.906 5.136 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.382 0.408 3.904 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.206 -0.669 2.533 1.00 0.00 H new ATOM 440 N GLY A 24 -10.667 -1.087 2.779 1.00 0.00 N ATOM 441 CA GLY A 24 -12.039 -1.551 2.880 1.00 0.00 C ATOM 442 C GLY A 24 -13.041 -0.480 2.491 1.00 0.00 C ATOM 443 O GLY A 24 -13.498 0.289 3.337 1.00 0.00 O ATOM 0 H GLY A 24 -10.407 -0.720 1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.174 -2.421 2.238 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.236 -1.875 3.902 1.00 0.00 H new ATOM 447 N ARG A 25 -13.376 -0.425 1.207 1.00 0.00 N ATOM 448 CA ARG A 25 -14.323 0.564 0.701 1.00 0.00 C ATOM 449 C ARG A 25 -15.748 0.251 1.150 1.00 0.00 C ATOM 450 O ARG A 25 -16.544 1.157 1.390 1.00 0.00 O ATOM 451 CB ARG A 25 -14.262 0.621 -0.826 1.00 0.00 C ATOM 452 CG ARG A 25 -15.217 1.633 -1.438 1.00 0.00 C ATOM 453 CD ARG A 25 -16.442 0.957 -2.035 1.00 0.00 C ATOM 454 NE ARG A 25 -17.611 1.832 -2.025 1.00 0.00 N ATOM 455 CZ ARG A 25 -18.810 1.474 -2.478 1.00 0.00 C ATOM 456 NH1 ARG A 25 -19.003 0.259 -2.977 1.00 0.00 N ATOM 457 NH2 ARG A 25 -19.819 2.333 -2.431 1.00 0.00 N ATOM 0 H ARG A 25 -13.005 -1.055 0.495 1.00 0.00 H new ATOM 0 HA ARG A 25 -14.042 1.534 1.111 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -13.244 0.864 -1.131 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -14.488 -0.367 -1.227 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -15.530 2.346 -0.676 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -14.700 2.200 -2.212 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -16.225 0.654 -3.059 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -16.664 0.049 -1.474 1.00 0.00 H new ATOM 0 HE ARG A 25 -17.502 2.774 -1.648 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -18.230 -0.406 -3.015 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -19.924 -0.010 -3.323 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -19.676 3.267 -2.048 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -20.738 2.059 -2.778 1.00 0.00 H new ATOM 613 N SER A 36 -8.500 3.705 -0.425 1.00 0.00 N ATOM 614 CA SER A 36 -8.143 2.509 -1.178 1.00 0.00 C ATOM 615 C SER A 36 -7.373 1.526 -0.301 1.00 0.00 C ATOM 616 O SER A 36 -7.122 1.793 0.874 1.00 0.00 O ATOM 617 CB SER A 36 -7.306 2.881 -2.404 1.00 0.00 C ATOM 618 OG SER A 36 -6.115 3.549 -2.024 1.00 0.00 O ATOM 0 HA SER A 36 -9.064 2.030 -1.509 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.058 1.981 -2.966 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.890 3.520 -3.067 1.00 0.00 H new ATOM 0 HG SER A 36 -6.239 3.963 -1.145 1.00 0.00 H new ATOM 624 N ILE A 37 -7.001 0.388 -0.879 1.00 0.00 N ATOM 625 CA ILE A 37 -6.261 -0.633 -0.148 1.00 0.00 C ATOM 626 C ILE A 37 -4.757 -0.388 -0.241 1.00 0.00 C ATOM 627 O ILE A 37 -4.167 -0.482 -1.317 1.00 0.00 O ATOM 628 CB ILE A 37 -6.588 -2.048 -0.674 1.00 0.00 C ATOM 629 CG1 ILE A 37 -8.060 -2.381 -0.420 1.00 0.00 C ATOM 630 CG2 ILE A 37 -5.691 -3.091 -0.019 1.00 0.00 C ATOM 631 CD1 ILE A 37 -9.022 -1.577 -1.267 1.00 0.00 C ATOM 0 H ILE A 37 -7.200 0.150 -1.851 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.568 -0.569 0.896 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.403 -2.064 -1.748 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.221 -3.442 -0.611 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.286 -2.209 0.632 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.940 -4.079 -0.405 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.648 -2.866 -0.243 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.842 -3.075 1.060 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -10.045 -1.868 -1.031 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.890 -0.515 -1.059 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.825 -1.767 -2.322 1.00 0.00 H new ATOM 643 N VAL A 38 -4.144 -0.073 0.896 1.00 0.00 N ATOM 644 CA VAL A 38 -2.711 0.188 0.951 1.00 0.00 C ATOM 645 C VAL A 38 -2.016 -0.762 1.921 1.00 0.00 C ATOM 646 O VAL A 38 -2.666 -1.436 2.721 1.00 0.00 O ATOM 647 CB VAL A 38 -2.419 1.639 1.376 1.00 0.00 C ATOM 648 CG1 VAL A 38 -2.572 2.583 0.193 1.00 0.00 C ATOM 649 CG2 VAL A 38 -3.328 2.057 2.522 1.00 0.00 C ATOM 0 H VAL A 38 -4.620 0.008 1.794 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.322 0.027 -0.055 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.388 1.694 1.725 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.362 3.604 0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.873 2.298 -0.593 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.591 2.525 -0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.105 3.085 2.807 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.369 1.986 2.206 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.162 1.400 3.376 1.00 0.00 H new ATOM 659 N ILE A 39 -0.690 -0.812 1.843 1.00 0.00 N ATOM 660 CA ILE A 39 0.096 -1.679 2.713 1.00 0.00 C ATOM 661 C ILE A 39 0.377 -1.006 4.052 1.00 0.00 C ATOM 662 O ILE A 39 1.074 0.008 4.114 1.00 0.00 O ATOM 663 CB ILE A 39 1.433 -2.068 2.057 1.00 0.00 C ATOM 664 CG1 ILE A 39 1.203 -2.556 0.625 1.00 0.00 C ATOM 665 CG2 ILE A 39 2.137 -3.137 2.881 1.00 0.00 C ATOM 666 CD1 ILE A 39 1.446 -1.491 -0.421 1.00 0.00 C ATOM 0 H ILE A 39 -0.137 -0.262 1.186 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.495 -2.580 2.879 1.00 0.00 H new ATOM 0 HB ILE A 39 2.072 -1.186 2.021 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.859 -3.404 0.429 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.179 -2.918 0.533 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.081 -3.401 2.404 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.331 -2.755 3.883 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.504 -4.022 2.947 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.264 -1.906 -1.412 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.771 -0.652 -0.250 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.478 -1.146 -0.356 1.00 0.00 H new ATOM 678 N SER A 40 -0.167 -1.576 5.122 1.00 0.00 N ATOM 679 CA SER A 40 0.028 -1.032 6.460 1.00 0.00 C ATOM 680 C SER A 40 1.463 -1.245 6.932 1.00 0.00 C ATOM 681 O SER A 40 2.190 -0.286 7.193 1.00 0.00 O ATOM 682 CB SER A 40 -0.947 -1.682 7.445 1.00 0.00 C ATOM 683 OG SER A 40 -2.142 -0.930 7.552 1.00 0.00 O ATOM 0 H SER A 40 -0.746 -2.415 5.088 1.00 0.00 H new ATOM 0 HA SER A 40 -0.166 0.040 6.420 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.179 -2.695 7.116 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.477 -1.765 8.425 1.00 0.00 H new ATOM 0 HG SER A 40 -2.802 -1.436 8.070 1.00 0.00 H new ATOM 689 N ASP A 41 1.862 -2.507 7.039 1.00 0.00 N ATOM 690 CA ASP A 41 3.210 -2.849 7.480 1.00 0.00 C ATOM 691 C ASP A 41 3.706 -4.111 6.782 1.00 0.00 C ATOM 692 O ASP A 41 2.912 -4.946 6.349 1.00 0.00 O ATOM 693 CB ASP A 41 3.237 -3.042 8.998 1.00 0.00 C ATOM 694 CG ASP A 41 3.971 -1.924 9.710 1.00 0.00 C ATOM 695 OD1 ASP A 41 3.774 -0.749 9.334 1.00 0.00 O ATOM 696 OD2 ASP A 41 4.744 -2.221 10.645 1.00 0.00 O ATOM 0 H ASP A 41 1.271 -3.311 6.826 1.00 0.00 H new ATOM 0 HA ASP A 41 3.874 -2.027 7.215 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.215 -3.098 9.373 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.715 -3.993 9.232 1.00 0.00 H new ATOM 701 N VAL A 42 5.026 -4.246 6.677 1.00 0.00 N ATOM 702 CA VAL A 42 5.624 -5.408 6.031 1.00 0.00 C ATOM 703 C VAL A 42 6.591 -6.123 6.968 1.00 0.00 C ATOM 704 O VAL A 42 7.226 -5.500 7.818 1.00 0.00 O ATOM 705 CB VAL A 42 6.374 -5.016 4.745 1.00 0.00 C ATOM 706 CG1 VAL A 42 5.406 -4.470 3.706 1.00 0.00 C ATOM 707 CG2 VAL A 42 7.467 -4.004 5.052 1.00 0.00 C ATOM 0 H VAL A 42 5.699 -3.566 7.031 1.00 0.00 H new ATOM 0 HA VAL A 42 4.804 -6.079 5.775 1.00 0.00 H new ATOM 0 HB VAL A 42 6.844 -5.909 4.334 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.955 -4.199 2.804 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.665 -5.231 3.464 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.904 -3.588 4.104 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.986 -3.739 4.131 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.023 -3.110 5.488 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.177 -4.437 5.757 1.00 0.00 H new ATOM 717 N LEU A 43 6.697 -7.436 6.801 1.00 0.00 N ATOM 718 CA LEU A 43 7.588 -8.244 7.629 1.00 0.00 C ATOM 719 C LEU A 43 9.044 -8.048 7.218 1.00 0.00 C ATOM 720 O LEU A 43 9.952 -8.171 8.039 1.00 0.00 O ATOM 721 CB LEU A 43 7.216 -9.726 7.528 1.00 0.00 C ATOM 722 CG LEU A 43 6.817 -10.204 6.128 1.00 0.00 C ATOM 723 CD1 LEU A 43 7.561 -11.480 5.762 1.00 0.00 C ATOM 724 CD2 LEU A 43 5.312 -10.419 6.047 1.00 0.00 C ATOM 0 H LEU A 43 6.178 -7.965 6.100 1.00 0.00 H new ATOM 0 HA LEU A 43 7.472 -7.917 8.662 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.063 -10.321 7.870 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.390 -9.924 8.211 1.00 0.00 H new ATOM 0 HG LEU A 43 7.094 -9.431 5.411 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.263 -11.802 4.764 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.635 -11.292 5.777 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.319 -12.261 6.483 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.046 -10.758 5.046 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.012 -11.171 6.777 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.799 -9.482 6.261 1.00 0.00 H new ATOM 736 N LYS A 44 9.259 -7.743 5.941 1.00 0.00 N ATOM 737 CA LYS A 44 10.607 -7.532 5.422 1.00 0.00 C ATOM 738 C LYS A 44 11.420 -8.822 5.487 1.00 0.00 C ATOM 739 O LYS A 44 12.640 -8.793 5.657 1.00 0.00 O ATOM 740 CB LYS A 44 11.315 -6.422 6.205 1.00 0.00 C ATOM 741 CG LYS A 44 11.379 -5.099 5.460 1.00 0.00 C ATOM 742 CD LYS A 44 11.588 -3.933 6.413 1.00 0.00 C ATOM 743 CE LYS A 44 13.033 -3.461 6.411 1.00 0.00 C ATOM 744 NZ LYS A 44 13.263 -2.370 7.398 1.00 0.00 N ATOM 0 H LYS A 44 8.518 -7.637 5.248 1.00 0.00 H new ATOM 0 HA LYS A 44 10.525 -7.228 4.379 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.799 -6.271 7.153 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.329 -6.746 6.442 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.192 -5.128 4.735 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.456 -4.951 4.899 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.935 -3.108 6.128 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.303 -4.231 7.422 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.689 -4.301 6.639 1.00 0.00 H new ATOM 0 HE3 LYS A 44 13.299 -3.110 5.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.260 -2.077 7.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.656 -1.558 7.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.034 -2.712 8.353 1.00 0.00 H new ATOM 758 N GLY A 45 10.737 -9.954 5.349 1.00 0.00 N ATOM 759 CA GLY A 45 11.409 -11.238 5.393 1.00 0.00 C ATOM 760 C GLY A 45 10.810 -12.246 4.430 1.00 0.00 C ATOM 761 O GLY A 45 11.051 -13.447 4.550 1.00 0.00 O ATOM 0 H GLY A 45 9.728 -10.004 5.207 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.464 -11.099 5.158 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.358 -11.635 6.407 1.00 0.00 H new ATOM 765 N GLY A 46 10.028 -11.759 3.471 1.00 0.00 N ATOM 766 CA GLY A 46 9.408 -12.642 2.499 1.00 0.00 C ATOM 767 C GLY A 46 9.540 -12.124 1.078 1.00 0.00 C ATOM 768 O GLY A 46 10.258 -11.154 0.835 1.00 0.00 O ATOM 0 H GLY A 46 9.813 -10.769 3.350 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.864 -13.630 2.566 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.352 -12.762 2.742 1.00 0.00 H new ATOM 772 N PRO A 47 8.852 -12.754 0.110 1.00 0.00 N ATOM 773 CA PRO A 47 8.907 -12.338 -1.296 1.00 0.00 C ATOM 774 C PRO A 47 8.597 -10.856 -1.476 1.00 0.00 C ATOM 775 O PRO A 47 9.097 -10.215 -2.401 1.00 0.00 O ATOM 776 CB PRO A 47 7.826 -13.191 -1.964 1.00 0.00 C ATOM 777 CG PRO A 47 7.693 -14.391 -1.092 1.00 0.00 C ATOM 778 CD PRO A 47 7.972 -13.920 0.309 1.00 0.00 C ATOM 0 HA PRO A 47 9.902 -12.476 -1.720 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.883 -12.649 -2.037 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.113 -13.469 -2.978 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.693 -14.819 -1.168 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.396 -15.169 -1.389 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.055 -13.647 0.831 1.00 0.00 H new ATOM 0 HD3 PRO A 47 8.458 -14.693 0.903 1.00 0.00 H new ATOM 786 N ALA A 48 7.769 -10.318 -0.587 1.00 0.00 N ATOM 787 CA ALA A 48 7.391 -8.912 -0.650 1.00 0.00 C ATOM 788 C ALA A 48 8.021 -8.122 0.491 1.00 0.00 C ATOM 789 O ALA A 48 7.442 -7.154 0.985 1.00 0.00 O ATOM 790 CB ALA A 48 5.877 -8.771 -0.619 1.00 0.00 C ATOM 0 H ALA A 48 7.347 -10.834 0.185 1.00 0.00 H new ATOM 0 HA ALA A 48 7.764 -8.503 -1.589 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.609 -7.716 -0.667 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.445 -9.294 -1.472 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.490 -9.202 0.304 1.00 0.00 H new ATOM 796 N GLU A 49 9.213 -8.542 0.906 1.00 0.00 N ATOM 797 CA GLU A 49 9.926 -7.875 1.992 1.00 0.00 C ATOM 798 C GLU A 49 10.100 -6.387 1.699 1.00 0.00 C ATOM 799 O GLU A 49 10.117 -5.562 2.612 1.00 0.00 O ATOM 800 CB GLU A 49 11.292 -8.526 2.209 1.00 0.00 C ATOM 801 CG GLU A 49 12.125 -8.632 0.941 1.00 0.00 C ATOM 802 CD GLU A 49 13.580 -8.272 1.166 1.00 0.00 C ATOM 803 OE1 GLU A 49 14.168 -8.762 2.154 1.00 0.00 O ATOM 804 OE2 GLU A 49 14.134 -7.501 0.355 1.00 0.00 O ATOM 0 H GLU A 49 9.706 -9.341 0.507 1.00 0.00 H new ATOM 0 HA GLU A 49 9.332 -7.980 2.900 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.846 -7.950 2.950 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.148 -9.524 2.623 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.062 -9.649 0.554 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.706 -7.974 0.180 1.00 0.00 H new ATOM 811 N GLY A 50 10.229 -6.053 0.419 1.00 0.00 N ATOM 812 CA GLY A 50 10.400 -4.666 0.028 1.00 0.00 C ATOM 813 C GLY A 50 9.798 -4.366 -1.330 1.00 0.00 C ATOM 814 O GLY A 50 10.243 -3.454 -2.026 1.00 0.00 O ATOM 0 H GLY A 50 10.218 -6.718 -0.354 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.939 -4.022 0.776 1.00 0.00 H new ATOM 0 HA3 GLY A 50 11.463 -4.425 0.012 1.00 0.00 H new ATOM 818 N GLN A 51 8.782 -5.135 -1.707 1.00 0.00 N ATOM 819 CA GLN A 51 8.117 -4.947 -2.992 1.00 0.00 C ATOM 820 C GLN A 51 6.893 -4.049 -2.844 1.00 0.00 C ATOM 821 O GLN A 51 6.662 -3.158 -3.660 1.00 0.00 O ATOM 822 CB GLN A 51 7.705 -6.299 -3.578 1.00 0.00 C ATOM 823 CG GLN A 51 7.408 -6.250 -5.068 1.00 0.00 C ATOM 824 CD GLN A 51 8.470 -6.947 -5.897 1.00 0.00 C ATOM 825 OE1 GLN A 51 9.023 -7.968 -5.488 1.00 0.00 O ATOM 826 NE2 GLN A 51 8.760 -6.396 -7.071 1.00 0.00 N ATOM 0 H GLN A 51 8.401 -5.894 -1.142 1.00 0.00 H new ATOM 0 HA GLN A 51 8.820 -4.464 -3.671 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.501 -7.022 -3.398 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.822 -6.660 -3.051 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.441 -6.715 -5.258 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.329 -5.210 -5.385 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.277 -5.549 -7.370 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.466 -6.820 -7.673 1.00 0.00 H new ATOM 835 N LEU A 52 6.111 -4.290 -1.796 1.00 0.00 N ATOM 836 CA LEU A 52 4.911 -3.504 -1.541 1.00 0.00 C ATOM 837 C LEU A 52 5.009 -2.779 -0.201 1.00 0.00 C ATOM 838 O LEU A 52 5.165 -3.408 0.846 1.00 0.00 O ATOM 839 CB LEU A 52 3.673 -4.402 -1.557 1.00 0.00 C ATOM 840 CG LEU A 52 3.598 -5.379 -2.732 1.00 0.00 C ATOM 841 CD1 LEU A 52 2.634 -6.515 -2.424 1.00 0.00 C ATOM 842 CD2 LEU A 52 3.179 -4.653 -4.002 1.00 0.00 C ATOM 0 H LEU A 52 6.288 -5.024 -1.110 1.00 0.00 H new ATOM 0 HA LEU A 52 4.821 -2.759 -2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.644 -4.971 -0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.785 -3.770 -1.572 1.00 0.00 H new ATOM 0 HG LEU A 52 4.589 -5.804 -2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.595 -7.199 -3.272 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.976 -7.053 -1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.640 -6.108 -2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.131 -5.363 -4.828 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.199 -4.200 -3.855 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.907 -3.876 -4.234 1.00 0.00 H new ATOM 854 N GLN A 53 4.917 -1.454 -0.244 1.00 0.00 N ATOM 855 CA GLN A 53 4.994 -0.643 0.966 1.00 0.00 C ATOM 856 C GLN A 53 4.126 0.604 0.840 1.00 0.00 C ATOM 857 O GLN A 53 3.570 0.881 -0.224 1.00 0.00 O ATOM 858 CB GLN A 53 6.445 -0.244 1.245 1.00 0.00 C ATOM 859 CG GLN A 53 7.055 0.632 0.161 1.00 0.00 C ATOM 860 CD GLN A 53 8.235 -0.026 -0.527 1.00 0.00 C ATOM 861 OE1 GLN A 53 8.111 -0.546 -1.637 1.00 0.00 O ATOM 862 NE2 GLN A 53 9.388 -0.009 0.130 1.00 0.00 N ATOM 0 H GLN A 53 4.789 -0.919 -1.103 1.00 0.00 H new ATOM 0 HA GLN A 53 4.622 -1.240 1.799 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.491 0.285 2.197 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.047 -1.146 1.353 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.293 0.869 -0.581 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.376 1.576 0.600 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.446 0.433 1.047 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.216 -0.438 -0.283 1.00 0.00 H new ATOM 871 N GLU A 54 4.013 1.356 1.932 1.00 0.00 N ATOM 872 CA GLU A 54 3.212 2.577 1.946 1.00 0.00 C ATOM 873 C GLU A 54 3.585 3.493 0.784 1.00 0.00 C ATOM 874 O GLU A 54 2.748 4.243 0.279 1.00 0.00 O ATOM 875 CB GLU A 54 3.398 3.318 3.271 1.00 0.00 C ATOM 876 CG GLU A 54 2.314 4.348 3.548 1.00 0.00 C ATOM 877 CD GLU A 54 2.816 5.518 4.371 1.00 0.00 C ATOM 878 OE1 GLU A 54 4.046 5.737 4.402 1.00 0.00 O ATOM 879 OE2 GLU A 54 1.981 6.213 4.985 1.00 0.00 O ATOM 0 H GLU A 54 4.467 1.141 2.820 1.00 0.00 H new ATOM 0 HA GLU A 54 2.165 2.292 1.837 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.415 2.593 4.084 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.368 3.815 3.267 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.919 4.718 2.602 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.488 3.868 4.072 1.00 0.00 H new ATOM 886 N ASN A 55 4.843 3.425 0.362 1.00 0.00 N ATOM 887 CA ASN A 55 5.324 4.247 -0.742 1.00 0.00 C ATOM 888 C ASN A 55 4.672 3.826 -2.055 1.00 0.00 C ATOM 889 O ASN A 55 4.481 4.645 -2.955 1.00 0.00 O ATOM 890 CB ASN A 55 6.845 4.144 -0.859 1.00 0.00 C ATOM 891 CG ASN A 55 7.560 4.773 0.320 1.00 0.00 C ATOM 892 OD1 ASN A 55 6.928 5.319 1.225 1.00 0.00 O ATOM 893 ND2 ASN A 55 8.886 4.702 0.315 1.00 0.00 N ATOM 0 H ASN A 55 5.548 2.809 0.768 1.00 0.00 H new ATOM 0 HA ASN A 55 5.053 5.283 -0.536 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.130 3.095 -0.936 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.170 4.631 -1.779 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.421 5.109 1.082 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.369 4.240 -0.455 1.00 0.00 H new ATOM 900 N ASP A 56 4.330 2.546 -2.157 1.00 0.00 N ATOM 901 CA ASP A 56 3.698 2.016 -3.358 1.00 0.00 C ATOM 902 C ASP A 56 2.194 1.867 -3.158 1.00 0.00 C ATOM 903 O ASP A 56 1.744 1.089 -2.318 1.00 0.00 O ATOM 904 CB ASP A 56 4.313 0.665 -3.730 1.00 0.00 C ATOM 905 CG ASP A 56 5.812 0.749 -3.937 1.00 0.00 C ATOM 906 OD1 ASP A 56 6.425 1.721 -3.448 1.00 0.00 O ATOM 907 OD2 ASP A 56 6.373 -0.157 -4.589 1.00 0.00 O ATOM 0 H ASP A 56 4.480 1.856 -1.421 1.00 0.00 H new ATOM 0 HA ASP A 56 3.870 2.720 -4.172 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.098 -0.058 -2.943 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.844 0.294 -4.641 1.00 0.00 H new ATOM 912 N ARG A 57 1.421 2.619 -3.934 1.00 0.00 N ATOM 913 CA ARG A 57 -0.034 2.569 -3.840 1.00 0.00 C ATOM 914 C ARG A 57 -0.590 1.402 -4.649 1.00 0.00 C ATOM 915 O ARG A 57 -0.179 1.172 -5.786 1.00 0.00 O ATOM 916 CB ARG A 57 -0.643 3.885 -4.332 1.00 0.00 C ATOM 917 CG ARG A 57 -1.086 4.809 -3.206 1.00 0.00 C ATOM 918 CD ARG A 57 -0.327 6.126 -3.232 1.00 0.00 C ATOM 919 NE ARG A 57 -0.379 6.763 -4.546 1.00 0.00 N ATOM 920 CZ ARG A 57 -1.428 7.448 -4.997 1.00 0.00 C ATOM 921 NH1 ARG A 57 -2.512 7.585 -4.245 1.00 0.00 N ATOM 922 NH2 ARG A 57 -1.391 7.996 -6.203 1.00 0.00 N ATOM 0 H ARG A 57 1.777 3.270 -4.634 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.302 2.422 -2.794 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.088 4.405 -4.951 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.500 3.664 -4.968 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.155 5.003 -3.293 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.928 4.316 -2.247 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.746 6.801 -2.485 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.713 5.951 -2.955 1.00 0.00 H new ATOM 0 HE ARG A 57 0.436 6.678 -5.153 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.545 7.165 -3.316 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.313 8.111 -4.595 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.560 7.893 -6.785 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.194 8.521 -6.550 1.00 0.00 H new ATOM 936 N VAL A 58 -1.525 0.666 -4.057 1.00 0.00 N ATOM 937 CA VAL A 58 -2.133 -0.479 -4.726 1.00 0.00 C ATOM 938 C VAL A 58 -3.389 -0.064 -5.487 1.00 0.00 C ATOM 939 O VAL A 58 -4.253 0.628 -4.948 1.00 0.00 O ATOM 940 CB VAL A 58 -2.500 -1.594 -3.729 1.00 0.00 C ATOM 941 CG1 VAL A 58 -2.736 -2.907 -4.461 1.00 0.00 C ATOM 942 CG2 VAL A 58 -1.413 -1.752 -2.673 1.00 0.00 C ATOM 0 H VAL A 58 -1.878 0.842 -3.116 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.390 -0.862 -5.426 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.424 -1.313 -3.224 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.994 -3.684 -3.741 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.553 -2.785 -5.172 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.830 -3.194 -4.995 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.692 -2.545 -1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.470 -2.009 -3.157 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.297 -0.816 -2.127 1.00 0.00 H new ATOM 952 N ALA A 59 -3.483 -0.493 -6.741 1.00 0.00 N ATOM 953 CA ALA A 59 -4.633 -0.167 -7.577 1.00 0.00 C ATOM 954 C ALA A 59 -5.479 -1.405 -7.856 1.00 0.00 C ATOM 955 O ALA A 59 -6.693 -1.312 -8.033 1.00 0.00 O ATOM 956 CB ALA A 59 -4.174 0.468 -8.882 1.00 0.00 C ATOM 0 H ALA A 59 -2.777 -1.067 -7.201 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.253 0.548 -7.036 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.043 0.706 -9.496 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.620 1.382 -8.667 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.530 -0.229 -9.419 1.00 0.00 H new ATOM 962 N MET A 60 -4.829 -2.563 -7.894 1.00 0.00 N ATOM 963 CA MET A 60 -5.523 -3.821 -8.153 1.00 0.00 C ATOM 964 C MET A 60 -4.740 -5.001 -7.587 1.00 0.00 C ATOM 965 O MET A 60 -3.519 -4.937 -7.446 1.00 0.00 O ATOM 966 CB MET A 60 -5.737 -4.009 -9.656 1.00 0.00 C ATOM 967 CG MET A 60 -6.915 -4.907 -9.996 1.00 0.00 C ATOM 968 SD MET A 60 -7.228 -4.999 -11.770 1.00 0.00 S ATOM 969 CE MET A 60 -7.871 -3.357 -12.086 1.00 0.00 C ATOM 0 H MET A 60 -3.824 -2.658 -7.749 1.00 0.00 H new ATOM 0 HA MET A 60 -6.493 -3.781 -7.657 1.00 0.00 H new ATOM 0 HB2 MET A 60 -5.890 -3.033 -10.117 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.832 -4.430 -10.093 1.00 0.00 H new ATOM 0 HG2 MET A 60 -6.726 -5.909 -9.612 1.00 0.00 H new ATOM 0 HG3 MET A 60 -7.807 -4.536 -9.492 1.00 0.00 H new ATOM 0 HE1 MET A 60 -8.371 -3.342 -13.055 1.00 0.00 H new ATOM 0 HE2 MET A 60 -8.584 -3.089 -11.306 1.00 0.00 H new ATOM 0 HE3 MET A 60 -7.050 -2.639 -12.090 1.00 0.00 H new ATOM 979 N VAL A 61 -5.452 -6.077 -7.264 1.00 0.00 N ATOM 980 CA VAL A 61 -4.822 -7.272 -6.714 1.00 0.00 C ATOM 981 C VAL A 61 -5.475 -8.537 -7.261 1.00 0.00 C ATOM 982 O VAL A 61 -6.669 -8.765 -7.066 1.00 0.00 O ATOM 983 CB VAL A 61 -4.894 -7.287 -5.174 1.00 0.00 C ATOM 984 CG1 VAL A 61 -6.341 -7.307 -4.705 1.00 0.00 C ATOM 985 CG2 VAL A 61 -4.127 -8.476 -4.613 1.00 0.00 C ATOM 0 H VAL A 61 -6.464 -6.145 -7.374 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.775 -7.249 -7.018 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.428 -6.375 -4.800 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.370 -7.317 -3.615 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.855 -6.419 -5.073 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.836 -8.199 -5.090 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.190 -8.469 -3.525 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.559 -9.401 -4.995 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.082 -8.411 -4.917 1.00 0.00 H new ATOM 995 N ASN A 62 -4.685 -9.359 -7.945 1.00 0.00 N ATOM 996 CA ASN A 62 -5.185 -10.603 -8.520 1.00 0.00 C ATOM 997 C ASN A 62 -6.395 -10.346 -9.414 1.00 0.00 C ATOM 998 O ASN A 62 -7.294 -11.181 -9.514 1.00 0.00 O ATOM 999 CB ASN A 62 -5.558 -11.587 -7.410 1.00 0.00 C ATOM 1000 CG ASN A 62 -5.302 -13.028 -7.805 1.00 0.00 C ATOM 1001 OD1 ASN A 62 -4.344 -13.650 -7.346 1.00 0.00 O ATOM 1002 ND2 ASN A 62 -6.160 -13.568 -8.663 1.00 0.00 N ATOM 0 H ASN A 62 -3.694 -9.185 -8.115 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.392 -11.035 -9.130 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.986 -11.352 -6.513 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.611 -11.464 -7.158 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.038 -14.534 -8.966 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.941 -13.016 -9.019 1.00 0.00 H new ATOM 1009 N GLY A 63 -6.409 -9.186 -10.062 1.00 0.00 N ATOM 1010 CA GLY A 63 -7.512 -8.839 -10.938 1.00 0.00 C ATOM 1011 C GLY A 63 -8.644 -8.133 -10.211 1.00 0.00 C ATOM 1012 O GLY A 63 -9.650 -7.772 -10.821 1.00 0.00 O ATOM 0 H GLY A 63 -5.676 -8.480 -9.996 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.145 -8.197 -11.739 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.897 -9.745 -11.406 1.00 0.00 H new ATOM 1016 N VAL A 64 -8.481 -7.935 -8.904 1.00 0.00 N ATOM 1017 CA VAL A 64 -9.499 -7.267 -8.102 1.00 0.00 C ATOM 1018 C VAL A 64 -9.126 -5.812 -7.841 1.00 0.00 C ATOM 1019 O VAL A 64 -8.034 -5.517 -7.354 1.00 0.00 O ATOM 1020 CB VAL A 64 -9.706 -7.980 -6.752 1.00 0.00 C ATOM 1021 CG1 VAL A 64 -10.908 -7.402 -6.021 1.00 0.00 C ATOM 1022 CG2 VAL A 64 -9.868 -9.479 -6.958 1.00 0.00 C ATOM 0 H VAL A 64 -7.656 -8.227 -8.381 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.427 -7.305 -8.673 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.822 -7.815 -6.136 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.038 -7.918 -5.070 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.746 -6.340 -5.838 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.802 -7.533 -6.630 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.013 -9.965 -5.993 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.733 -9.668 -7.593 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -8.974 -9.879 -7.435 1.00 0.00 H new ATOM 1032 N SER A 65 -10.040 -4.904 -8.167 1.00 0.00 N ATOM 1033 CA SER A 65 -9.806 -3.478 -7.967 1.00 0.00 C ATOM 1034 C SER A 65 -9.534 -3.174 -6.498 1.00 0.00 C ATOM 1035 O SER A 65 -10.267 -3.621 -5.614 1.00 0.00 O ATOM 1036 CB SER A 65 -11.010 -2.669 -8.453 1.00 0.00 C ATOM 1037 OG SER A 65 -11.766 -3.399 -9.404 1.00 0.00 O ATOM 0 H SER A 65 -10.949 -5.130 -8.571 1.00 0.00 H new ATOM 0 HA SER A 65 -8.928 -3.194 -8.548 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.642 -2.407 -7.605 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.668 -1.734 -8.896 1.00 0.00 H new ATOM 0 HG SER A 65 -12.530 -2.860 -9.697 1.00 0.00 H new ATOM 1043 N MET A 66 -8.476 -2.411 -6.240 1.00 0.00 N ATOM 1044 CA MET A 66 -8.109 -2.050 -4.877 1.00 0.00 C ATOM 1045 C MET A 66 -8.479 -0.601 -4.574 1.00 0.00 C ATOM 1046 O MET A 66 -7.882 0.033 -3.704 1.00 0.00 O ATOM 1047 CB MET A 66 -6.610 -2.258 -4.656 1.00 0.00 C ATOM 1048 CG MET A 66 -6.193 -3.720 -4.658 1.00 0.00 C ATOM 1049 SD MET A 66 -6.281 -4.469 -3.020 1.00 0.00 S ATOM 1050 CE MET A 66 -7.951 -5.115 -3.033 1.00 0.00 C ATOM 0 H MET A 66 -7.859 -2.031 -6.958 1.00 0.00 H new ATOM 0 HA MET A 66 -8.665 -2.698 -4.199 1.00 0.00 H new ATOM 0 HB2 MET A 66 -6.059 -1.730 -5.435 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.325 -1.809 -3.705 1.00 0.00 H new ATOM 0 HG2 MET A 66 -6.834 -4.276 -5.342 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.174 -3.803 -5.037 1.00 0.00 H new ATOM 0 HE1 MET A 66 -8.557 -4.572 -2.308 1.00 0.00 H new ATOM 0 HE2 MET A 66 -8.380 -4.994 -4.028 1.00 0.00 H new ATOM 0 HE3 MET A 66 -7.934 -6.173 -2.772 1.00 0.00 H new ATOM 1060 N ASP A 67 -9.470 -0.083 -5.293 1.00 0.00 N ATOM 1061 CA ASP A 67 -9.918 1.291 -5.093 1.00 0.00 C ATOM 1062 C ASP A 67 -11.415 1.341 -4.802 1.00 0.00 C ATOM 1063 O ASP A 67 -12.057 2.374 -4.991 1.00 0.00 O ATOM 1064 CB ASP A 67 -9.597 2.138 -6.326 1.00 0.00 C ATOM 1065 CG ASP A 67 -10.186 1.556 -7.596 1.00 0.00 C ATOM 1066 OD1 ASP A 67 -11.270 0.940 -7.520 1.00 0.00 O ATOM 1067 OD2 ASP A 67 -9.563 1.714 -8.667 1.00 0.00 O ATOM 0 H ASP A 67 -9.977 -0.592 -6.017 1.00 0.00 H new ATOM 0 HA ASP A 67 -9.387 1.698 -4.232 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.981 3.148 -6.180 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.516 2.221 -6.435 1.00 0.00 H new ATOM 1072 N ASN A 68 -11.967 0.219 -4.344 1.00 0.00 N ATOM 1073 CA ASN A 68 -13.390 0.140 -4.027 1.00 0.00 C ATOM 1074 C ASN A 68 -13.779 -1.277 -3.615 1.00 0.00 C ATOM 1075 O ASN A 68 -14.714 -1.861 -4.164 1.00 0.00 O ATOM 1076 CB ASN A 68 -14.231 0.584 -5.228 1.00 0.00 C ATOM 1077 CG ASN A 68 -13.775 -0.058 -6.523 1.00 0.00 C ATOM 1078 OD1 ASN A 68 -12.993 -1.007 -6.517 1.00 0.00 O ATOM 1079 ND2 ASN A 68 -14.264 0.461 -7.644 1.00 0.00 N ATOM 0 H ASN A 68 -11.451 -0.646 -4.185 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.586 0.810 -3.189 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -15.276 0.332 -5.049 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.177 1.668 -5.325 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.993 0.072 -8.547 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.911 1.249 -7.602 1.00 0.00 H new ATOM 1086 N VAL A 69 -13.058 -1.826 -2.642 1.00 0.00 N ATOM 1087 CA VAL A 69 -13.332 -3.175 -2.158 1.00 0.00 C ATOM 1088 C VAL A 69 -13.129 -3.274 -0.650 1.00 0.00 C ATOM 1089 O VAL A 69 -12.244 -2.629 -0.087 1.00 0.00 O ATOM 1090 CB VAL A 69 -12.435 -4.216 -2.854 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -12.794 -4.332 -4.327 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -10.967 -3.858 -2.681 1.00 0.00 C ATOM 0 H VAL A 69 -12.281 -1.359 -2.174 1.00 0.00 H new ATOM 0 HA VAL A 69 -14.375 -3.387 -2.395 1.00 0.00 H new ATOM 0 HB VAL A 69 -12.605 -5.185 -2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.150 -5.072 -4.801 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -13.835 -4.641 -4.425 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -12.656 -3.366 -4.812 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.349 -4.605 -3.179 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -10.777 -2.879 -3.120 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -10.721 -3.834 -1.619 1.00 0.00 H new ATOM 1102 N GLU A 70 -13.957 -4.089 -0.004 1.00 0.00 N ATOM 1103 CA GLU A 70 -13.873 -4.279 1.440 1.00 0.00 C ATOM 1104 C GLU A 70 -12.575 -4.982 1.822 1.00 0.00 C ATOM 1105 O GLU A 70 -12.002 -5.726 1.026 1.00 0.00 O ATOM 1106 CB GLU A 70 -15.069 -5.093 1.936 1.00 0.00 C ATOM 1107 CG GLU A 70 -15.578 -4.657 3.301 1.00 0.00 C ATOM 1108 CD GLU A 70 -15.856 -5.830 4.221 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -16.741 -6.648 3.889 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -15.190 -5.932 5.272 1.00 0.00 O ATOM 0 H GLU A 70 -14.694 -4.629 -0.458 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.886 -3.297 1.912 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.880 -5.010 1.212 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.788 -6.145 1.981 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.842 -4.001 3.767 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -16.490 -4.074 3.175 1.00 0.00 H new ATOM 1117 N HIS A 71 -12.118 -4.744 3.048 1.00 0.00 N ATOM 1118 CA HIS A 71 -10.889 -5.358 3.538 1.00 0.00 C ATOM 1119 C HIS A 71 -10.995 -6.879 3.504 1.00 0.00 C ATOM 1120 O HIS A 71 -10.030 -7.574 3.182 1.00 0.00 O ATOM 1121 CB HIS A 71 -10.590 -4.887 4.962 1.00 0.00 C ATOM 1122 CG HIS A 71 -9.315 -5.439 5.523 1.00 0.00 C ATOM 1123 ND1 HIS A 71 -9.100 -6.359 6.492 1.00 0.00 N flip ATOM 1124 CD2 HIS A 71 -8.068 -5.045 5.087 1.00 0.00 C flip ATOM 1125 CE1 HIS A 71 -7.740 -6.502 6.621 1.00 0.00 C flip ATOM 1126 NE2 HIS A 71 -7.141 -5.699 5.763 1.00 0.00 N flip ATOM 0 H HIS A 71 -12.580 -4.131 3.719 1.00 0.00 H new ATOM 0 HA HIS A 71 -10.072 -5.052 2.885 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -10.540 -3.798 4.972 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -11.417 -5.174 5.612 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -9.814 -6.854 7.026 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -7.879 -4.315 4.313 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -7.242 -7.165 7.313 1.00 0.00 H new ATOM 1135 N ALA A 72 -12.176 -7.391 3.835 1.00 0.00 N ATOM 1136 CA ALA A 72 -12.413 -8.829 3.842 1.00 0.00 C ATOM 1137 C ALA A 72 -12.447 -9.384 2.422 1.00 0.00 C ATOM 1138 O ALA A 72 -11.983 -10.496 2.168 1.00 0.00 O ATOM 1139 CB ALA A 72 -13.713 -9.146 4.567 1.00 0.00 C ATOM 0 H ALA A 72 -12.985 -6.830 4.102 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.589 -9.307 4.372 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.878 -10.224 4.565 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.652 -8.790 5.596 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.542 -8.651 4.061 1.00 0.00 H new ATOM 1145 N PHE A 73 -12.998 -8.603 1.500 1.00 0.00 N ATOM 1146 CA PHE A 73 -13.091 -9.014 0.104 1.00 0.00 C ATOM 1147 C PHE A 73 -11.720 -8.977 -0.564 1.00 0.00 C ATOM 1148 O PHE A 73 -11.395 -9.831 -1.388 1.00 0.00 O ATOM 1149 CB PHE A 73 -14.066 -8.108 -0.653 1.00 0.00 C ATOM 1150 CG PHE A 73 -15.457 -8.668 -0.751 1.00 0.00 C ATOM 1151 CD1 PHE A 73 -16.346 -8.541 0.304 1.00 0.00 C ATOM 1152 CD2 PHE A 73 -15.874 -9.321 -1.900 1.00 0.00 C ATOM 1153 CE1 PHE A 73 -17.626 -9.054 0.215 1.00 0.00 C ATOM 1154 CE2 PHE A 73 -17.154 -9.837 -1.994 1.00 0.00 C ATOM 1155 CZ PHE A 73 -18.030 -9.703 -0.935 1.00 0.00 C ATOM 0 H PHE A 73 -13.388 -7.681 1.694 1.00 0.00 H new ATOM 0 HA PHE A 73 -13.463 -10.038 0.075 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -14.108 -7.139 -0.156 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -13.682 -7.935 -1.658 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -16.035 -8.035 1.206 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -15.192 -9.428 -2.731 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -18.310 -8.947 1.044 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -17.468 -10.344 -2.894 1.00 0.00 H new ATOM 0 HZ PHE A 73 -19.030 -10.105 -1.006 1.00 0.00 H new ATOM 1165 N ALA A 74 -10.922 -7.978 -0.203 1.00 0.00 N ATOM 1166 CA ALA A 74 -9.587 -7.825 -0.767 1.00 0.00 C ATOM 1167 C ALA A 74 -8.628 -8.870 -0.206 1.00 0.00 C ATOM 1168 O ALA A 74 -7.796 -9.416 -0.931 1.00 0.00 O ATOM 1169 CB ALA A 74 -9.059 -6.424 -0.497 1.00 0.00 C ATOM 0 H ALA A 74 -11.177 -7.262 0.478 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.656 -7.976 -1.844 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.061 -6.323 -0.923 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.724 -5.690 -0.952 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.013 -6.254 0.579 1.00 0.00 H new ATOM 1175 N VAL A 75 -8.744 -9.137 1.091 1.00 0.00 N ATOM 1176 CA VAL A 75 -7.882 -10.111 1.751 1.00 0.00 C ATOM 1177 C VAL A 75 -8.234 -11.539 1.344 1.00 0.00 C ATOM 1178 O VAL A 75 -7.354 -12.337 1.027 1.00 0.00 O ATOM 1179 CB VAL A 75 -7.966 -9.986 3.287 1.00 0.00 C ATOM 1180 CG1 VAL A 75 -9.377 -10.272 3.775 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -6.963 -10.916 3.956 1.00 0.00 C ATOM 0 H VAL A 75 -9.426 -8.693 1.706 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.863 -9.894 1.430 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.716 -8.961 3.561 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.413 -10.178 4.860 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -10.069 -9.559 3.326 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.663 -11.284 3.489 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.038 -10.813 5.039 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.178 -11.947 3.674 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.955 -10.655 3.635 1.00 0.00 H new ATOM 1191 N GLN A 76 -9.525 -11.860 1.357 1.00 0.00 N ATOM 1192 CA GLN A 76 -9.981 -13.197 0.992 1.00 0.00 C ATOM 1193 C GLN A 76 -9.578 -13.543 -0.438 1.00 0.00 C ATOM 1194 O GLN A 76 -9.299 -14.700 -0.751 1.00 0.00 O ATOM 1195 CB GLN A 76 -11.500 -13.301 1.147 1.00 0.00 C ATOM 1196 CG GLN A 76 -12.272 -12.387 0.212 1.00 0.00 C ATOM 1197 CD GLN A 76 -12.572 -13.038 -1.124 1.00 0.00 C ATOM 1198 OE1 GLN A 76 -12.085 -14.129 -1.420 1.00 0.00 O ATOM 1199 NE2 GLN A 76 -13.378 -12.369 -1.940 1.00 0.00 N ATOM 0 H GLN A 76 -10.271 -11.215 1.616 1.00 0.00 H new ATOM 0 HA GLN A 76 -9.504 -13.910 1.664 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.805 -14.332 0.967 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.769 -13.064 2.176 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -13.208 -12.094 0.687 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -11.699 -11.475 0.047 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -13.759 -11.467 -1.654 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -13.616 -12.757 -2.853 1.00 0.00 H new ATOM 1208 N GLN A 77 -9.553 -12.534 -1.304 1.00 0.00 N ATOM 1209 CA GLN A 77 -9.187 -12.736 -2.701 1.00 0.00 C ATOM 1210 C GLN A 77 -7.692 -13.006 -2.845 1.00 0.00 C ATOM 1211 O GLN A 77 -7.287 -13.964 -3.504 1.00 0.00 O ATOM 1212 CB GLN A 77 -9.577 -11.512 -3.532 1.00 0.00 C ATOM 1213 CG GLN A 77 -10.999 -11.567 -4.066 1.00 0.00 C ATOM 1214 CD GLN A 77 -11.064 -12.056 -5.500 1.00 0.00 C ATOM 1215 OE1 GLN A 77 -11.742 -11.463 -6.340 1.00 0.00 O ATOM 1216 NE2 GLN A 77 -10.359 -13.144 -5.787 1.00 0.00 N ATOM 0 H GLN A 77 -9.782 -11.570 -1.063 1.00 0.00 H new ATOM 0 HA GLN A 77 -9.729 -13.608 -3.068 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -9.462 -10.617 -2.921 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -8.886 -11.417 -4.370 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -11.595 -12.225 -3.434 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -11.445 -10.575 -4.004 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -9.811 -13.603 -5.059 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -10.365 -13.520 -6.735 1.00 0.00 H new ATOM 1225 N LEU A 78 -6.878 -12.154 -2.232 1.00 0.00 N ATOM 1226 CA LEU A 78 -5.427 -12.301 -2.300 1.00 0.00 C ATOM 1227 C LEU A 78 -4.965 -13.561 -1.572 1.00 0.00 C ATOM 1228 O LEU A 78 -3.958 -14.166 -1.942 1.00 0.00 O ATOM 1229 CB LEU A 78 -4.737 -11.068 -1.708 1.00 0.00 C ATOM 1230 CG LEU A 78 -5.156 -10.707 -0.281 1.00 0.00 C ATOM 1231 CD1 LEU A 78 -4.423 -11.576 0.729 1.00 0.00 C ATOM 1232 CD2 LEU A 78 -4.893 -9.232 -0.008 1.00 0.00 C ATOM 0 H LEU A 78 -7.196 -11.355 -1.683 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.149 -12.394 -3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.660 -11.233 -1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.937 -10.214 -2.355 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.225 -10.893 -0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.735 -11.304 1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.660 -12.624 0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.348 -11.424 0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.196 -8.991 1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.830 -9.023 -0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.464 -8.625 -0.710 1.00 0.00 H new ATOM 1244 N ARG A 79 -5.702 -13.951 -0.537 1.00 0.00 N ATOM 1245 CA ARG A 79 -5.358 -15.140 0.237 1.00 0.00 C ATOM 1246 C ARG A 79 -5.586 -16.412 -0.574 1.00 0.00 C ATOM 1247 O ARG A 79 -4.963 -17.443 -0.316 1.00 0.00 O ATOM 1248 CB ARG A 79 -6.181 -15.193 1.527 1.00 0.00 C ATOM 1249 CG ARG A 79 -5.433 -15.798 2.702 1.00 0.00 C ATOM 1250 CD ARG A 79 -4.654 -14.740 3.470 1.00 0.00 C ATOM 1251 NE ARG A 79 -4.687 -14.975 4.911 1.00 0.00 N ATOM 1252 CZ ARG A 79 -5.737 -14.701 5.683 1.00 0.00 C ATOM 1253 NH1 ARG A 79 -6.840 -14.183 5.157 1.00 0.00 N ATOM 1254 NH2 ARG A 79 -5.684 -14.946 6.985 1.00 0.00 N ATOM 0 H ARG A 79 -6.538 -13.464 -0.215 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.299 -15.078 0.489 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.496 -14.183 1.789 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -7.087 -15.772 1.347 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.140 -16.289 3.371 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -4.748 -16.566 2.343 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -3.619 -14.732 3.128 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -5.069 -13.756 3.254 1.00 0.00 H new ATOM 0 HE ARG A 79 -3.857 -15.372 5.352 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.887 -13.993 4.156 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.641 -13.975 5.754 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.839 -15.344 7.395 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -6.488 -14.736 7.577 1.00 0.00 H new ATOM 1268 N LYS A 80 -6.481 -16.336 -1.555 1.00 0.00 N ATOM 1269 CA LYS A 80 -6.788 -17.487 -2.398 1.00 0.00 C ATOM 1270 C LYS A 80 -5.569 -17.920 -3.212 1.00 0.00 C ATOM 1271 O LYS A 80 -5.527 -19.035 -3.732 1.00 0.00 O ATOM 1272 CB LYS A 80 -7.952 -17.162 -3.337 1.00 0.00 C ATOM 1273 CG LYS A 80 -9.317 -17.463 -2.741 1.00 0.00 C ATOM 1274 CD LYS A 80 -10.406 -17.436 -3.801 1.00 0.00 C ATOM 1275 CE LYS A 80 -11.757 -17.080 -3.203 1.00 0.00 C ATOM 1276 NZ LYS A 80 -12.876 -17.380 -4.140 1.00 0.00 N ATOM 0 H LYS A 80 -7.005 -15.492 -1.785 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.072 -18.312 -1.745 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -7.907 -16.107 -3.606 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -7.834 -17.731 -4.259 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -9.298 -18.442 -2.262 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.545 -16.733 -1.965 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -10.146 -16.711 -4.573 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.467 -18.410 -4.286 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -11.901 -17.635 -2.276 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.773 -16.021 -2.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.780 -17.123 -3.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.753 -16.831 -5.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.877 -18.395 -4.365 1.00 0.00 H new ATOM 1290 N SER A 81 -4.579 -17.035 -3.321 1.00 0.00 N ATOM 1291 CA SER A 81 -3.365 -17.335 -4.073 1.00 0.00 C ATOM 1292 C SER A 81 -2.749 -18.656 -3.618 1.00 0.00 C ATOM 1293 O SER A 81 -2.884 -19.679 -4.291 1.00 0.00 O ATOM 1294 CB SER A 81 -2.348 -16.203 -3.912 1.00 0.00 C ATOM 1295 OG SER A 81 -2.805 -15.015 -4.537 1.00 0.00 O ATOM 0 H SER A 81 -4.595 -16.107 -2.898 1.00 0.00 H new ATOM 0 HA SER A 81 -3.635 -17.427 -5.125 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.172 -16.016 -2.853 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.394 -16.502 -4.346 1.00 0.00 H new ATOM 0 HG SER A 81 -3.305 -14.476 -3.889 1.00 0.00 H new ATOM 1301 N GLY A 82 -2.073 -18.628 -2.473 1.00 0.00 N ATOM 1302 CA GLY A 82 -1.449 -19.831 -1.950 1.00 0.00 C ATOM 1303 C GLY A 82 0.023 -19.919 -2.298 1.00 0.00 C ATOM 1304 O GLY A 82 0.840 -20.324 -1.471 1.00 0.00 O ATOM 0 H GLY A 82 -1.946 -17.795 -1.898 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.565 -19.855 -0.866 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.965 -20.706 -2.345 1.00 0.00 H new ATOM 1308 N LYS A 83 0.363 -19.539 -3.525 1.00 0.00 N ATOM 1309 CA LYS A 83 1.748 -19.576 -3.981 1.00 0.00 C ATOM 1310 C LYS A 83 1.906 -18.817 -5.294 1.00 0.00 C ATOM 1311 O LYS A 83 2.745 -19.163 -6.127 1.00 0.00 O ATOM 1312 CB LYS A 83 2.212 -21.023 -4.156 1.00 0.00 C ATOM 1313 CG LYS A 83 3.715 -21.161 -4.348 1.00 0.00 C ATOM 1314 CD LYS A 83 4.055 -21.997 -5.573 1.00 0.00 C ATOM 1315 CE LYS A 83 4.998 -21.259 -6.510 1.00 0.00 C ATOM 1316 NZ LYS A 83 4.963 -21.818 -7.890 1.00 0.00 N ATOM 0 H LYS A 83 -0.301 -19.202 -4.222 1.00 0.00 H new ATOM 0 HA LYS A 83 2.367 -19.094 -3.225 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.911 -21.601 -3.282 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.703 -21.458 -5.016 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.161 -20.171 -4.448 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.154 -21.620 -3.462 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.514 -22.935 -5.259 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.139 -22.253 -6.105 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.728 -20.204 -6.539 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.015 -21.317 -6.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.620 -21.287 -8.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.246 -22.819 -7.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.999 -21.740 -8.272 1.00 0.00 H new ATOM 1330 N ASN A 84 1.096 -17.778 -5.470 1.00 0.00 N ATOM 1331 CA ASN A 84 1.142 -16.965 -6.679 1.00 0.00 C ATOM 1332 C ASN A 84 0.142 -15.816 -6.592 1.00 0.00 C ATOM 1333 O ASN A 84 -0.875 -15.809 -7.285 1.00 0.00 O ATOM 1334 CB ASN A 84 0.846 -17.822 -7.912 1.00 0.00 C ATOM 1335 CG ASN A 84 1.125 -17.087 -9.208 1.00 0.00 C ATOM 1336 OD1 ASN A 84 2.366 -16.649 -9.385 1.00 0.00 O flip ATOM 1337 ND2 ASN A 84 0.234 -16.915 -10.041 1.00 0.00 N flip ATOM 0 H ASN A 84 0.398 -17.479 -4.789 1.00 0.00 H new ATOM 0 HA ASN A 84 2.145 -16.549 -6.771 1.00 0.00 H new ATOM 0 HB2 ASN A 84 1.450 -18.728 -7.874 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -0.198 -18.134 -7.892 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -0.706 -17.269 -9.863 1.00 0.00 H new ATOM 0 HD22 ASN A 84 0.436 -16.419 -10.909 1.00 0.00 H new ATOM 1344 N ALA A 85 0.439 -14.845 -5.735 1.00 0.00 N ATOM 1345 CA ALA A 85 -0.432 -13.693 -5.555 1.00 0.00 C ATOM 1346 C ALA A 85 0.135 -12.464 -6.256 1.00 0.00 C ATOM 1347 O ALA A 85 1.137 -11.897 -5.820 1.00 0.00 O ATOM 1348 CB ALA A 85 -0.631 -13.410 -4.073 1.00 0.00 C ATOM 0 H ALA A 85 1.278 -14.834 -5.154 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.398 -13.924 -6.004 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.284 -12.546 -3.952 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.085 -14.278 -3.595 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.334 -13.203 -3.609 1.00 0.00 H new ATOM 1354 N LYS A 86 -0.508 -12.056 -7.344 1.00 0.00 N ATOM 1355 CA LYS A 86 -0.061 -10.894 -8.100 1.00 0.00 C ATOM 1356 C LYS A 86 -0.801 -9.638 -7.649 1.00 0.00 C ATOM 1357 O LYS A 86 -2.023 -9.644 -7.499 1.00 0.00 O ATOM 1358 CB LYS A 86 -0.251 -11.125 -9.605 1.00 0.00 C ATOM 1359 CG LYS A 86 -1.609 -10.689 -10.138 1.00 0.00 C ATOM 1360 CD LYS A 86 -1.997 -11.470 -11.383 1.00 0.00 C ATOM 1361 CE LYS A 86 -1.293 -10.934 -12.619 1.00 0.00 C ATOM 1362 NZ LYS A 86 -1.208 -11.956 -13.698 1.00 0.00 N ATOM 0 H LYS A 86 -1.339 -12.512 -7.721 1.00 0.00 H new ATOM 0 HA LYS A 86 1.002 -10.749 -7.907 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.528 -10.587 -10.145 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.113 -12.185 -9.819 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.366 -10.832 -9.367 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.586 -9.624 -10.368 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.745 -12.522 -11.247 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.076 -11.416 -11.526 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.827 -10.059 -12.990 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -0.289 -10.605 -12.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.721 -11.550 -14.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -0.677 -12.781 -13.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.167 -12.251 -13.973 1.00 0.00 H new ATOM 1376 N ILE A 87 -0.052 -8.564 -7.432 1.00 0.00 N ATOM 1377 CA ILE A 87 -0.636 -7.303 -6.995 1.00 0.00 C ATOM 1378 C ILE A 87 -0.143 -6.139 -7.847 1.00 0.00 C ATOM 1379 O ILE A 87 1.043 -6.044 -8.161 1.00 0.00 O ATOM 1380 CB ILE A 87 -0.310 -7.015 -5.517 1.00 0.00 C ATOM 1381 CG1 ILE A 87 -0.601 -8.247 -4.657 1.00 0.00 C ATOM 1382 CG2 ILE A 87 -1.103 -5.814 -5.024 1.00 0.00 C ATOM 1383 CD1 ILE A 87 0.645 -8.988 -4.221 1.00 0.00 C ATOM 0 H ILE A 87 0.961 -8.541 -7.552 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.715 -7.401 -7.111 1.00 0.00 H new ATOM 0 HB ILE A 87 0.751 -6.782 -5.433 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.159 -7.939 -3.773 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.242 -8.928 -5.217 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.862 -5.623 -3.978 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.847 -4.939 -5.621 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.169 -6.018 -5.119 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.363 -9.849 -3.615 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.193 -9.327 -5.100 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.277 -8.322 -3.633 1.00 0.00 H new ATOM 1395 N THR A 88 -1.062 -5.252 -8.210 1.00 0.00 N ATOM 1396 CA THR A 88 -0.723 -4.086 -9.017 1.00 0.00 C ATOM 1397 C THR A 88 -0.549 -2.861 -8.127 1.00 0.00 C ATOM 1398 O THR A 88 -1.470 -2.467 -7.411 1.00 0.00 O ATOM 1399 CB THR A 88 -1.810 -3.826 -10.062 1.00 0.00 C ATOM 1400 OG1 THR A 88 -2.597 -4.987 -10.269 1.00 0.00 O ATOM 1401 CG2 THR A 88 -1.258 -3.402 -11.406 1.00 0.00 C ATOM 0 H THR A 88 -2.048 -5.318 -7.958 1.00 0.00 H new ATOM 0 HA THR A 88 0.217 -4.283 -9.532 1.00 0.00 H new ATOM 0 HB THR A 88 -2.409 -3.010 -9.658 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.931 -4.996 -11.190 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.081 -3.234 -12.101 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.687 -2.481 -11.291 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.608 -4.185 -11.796 1.00 0.00 H new ATOM 1409 N ILE A 89 0.638 -2.266 -8.168 1.00 0.00 N ATOM 1410 CA ILE A 89 0.925 -1.089 -7.354 1.00 0.00 C ATOM 1411 C ILE A 89 1.607 -0.001 -8.172 1.00 0.00 C ATOM 1412 O ILE A 89 2.034 -0.236 -9.302 1.00 0.00 O ATOM 1413 CB ILE A 89 1.818 -1.445 -6.150 1.00 0.00 C ATOM 1414 CG1 ILE A 89 3.114 -2.108 -6.623 1.00 0.00 C ATOM 1415 CG2 ILE A 89 1.071 -2.356 -5.188 1.00 0.00 C ATOM 1416 CD1 ILE A 89 4.278 -1.147 -6.733 1.00 0.00 C ATOM 0 H ILE A 89 1.414 -2.577 -8.753 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.033 -0.717 -6.992 1.00 0.00 H new ATOM 0 HB ILE A 89 2.075 -0.525 -5.624 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.377 -2.908 -5.931 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.942 -2.571 -7.595 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.715 -2.599 -4.343 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.175 -1.849 -4.828 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.787 -3.274 -5.703 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.163 -1.685 -7.073 1.00 0.00 H new ATOM 0 HD12 ILE A 89 4.034 -0.361 -7.447 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.476 -0.702 -5.758 1.00 0.00 H new ATOM 1428 N ARG A 90 1.708 1.192 -7.593 1.00 0.00 N ATOM 1429 CA ARG A 90 2.343 2.313 -8.272 1.00 0.00 C ATOM 1430 C ARG A 90 3.339 3.019 -7.360 1.00 0.00 C ATOM 1431 O ARG A 90 3.073 3.234 -6.177 1.00 0.00 O ATOM 1432 CB ARG A 90 1.292 3.311 -8.764 1.00 0.00 C ATOM 1433 CG ARG A 90 0.135 2.669 -9.507 1.00 0.00 C ATOM 1434 CD ARG A 90 -1.098 2.543 -8.629 1.00 0.00 C ATOM 1435 NE ARG A 90 -1.576 3.843 -8.163 1.00 0.00 N ATOM 1436 CZ ARG A 90 -2.325 4.666 -8.895 1.00 0.00 C ATOM 1437 NH1 ARG A 90 -2.678 4.332 -10.130 1.00 0.00 N ATOM 1438 NH2 ARG A 90 -2.720 5.826 -8.391 1.00 0.00 N ATOM 0 H ARG A 90 1.359 1.405 -6.659 1.00 0.00 H new ATOM 0 HA ARG A 90 2.884 1.914 -9.130 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.901 3.863 -7.909 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.773 4.037 -9.419 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.106 3.263 -10.388 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.433 1.682 -9.860 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.891 2.045 -9.187 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -0.868 1.913 -7.770 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.321 4.138 -7.221 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.376 3.441 -10.523 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.252 4.966 -10.686 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -2.450 6.088 -7.443 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.294 6.457 -8.951 1.00 0.00 H new ATOM 1452 N ARG A 91 4.486 3.381 -7.925 1.00 0.00 N ATOM 1453 CA ARG A 91 5.531 4.069 -7.174 1.00 0.00 C ATOM 1454 C ARG A 91 6.306 5.023 -8.078 1.00 0.00 C ATOM 1455 O ARG A 91 6.328 4.857 -9.298 1.00 0.00 O ATOM 1456 CB ARG A 91 6.494 3.061 -6.533 1.00 0.00 C ATOM 1457 CG ARG A 91 6.501 1.694 -7.202 1.00 0.00 C ATOM 1458 CD ARG A 91 7.060 1.765 -8.615 1.00 0.00 C ATOM 1459 NE ARG A 91 8.355 2.438 -8.659 1.00 0.00 N ATOM 1460 CZ ARG A 91 8.948 2.832 -9.784 1.00 0.00 C ATOM 1461 NH1 ARG A 91 8.366 2.623 -10.958 1.00 0.00 N ATOM 1462 NH2 ARG A 91 10.127 3.437 -9.736 1.00 0.00 N ATOM 0 H ARG A 91 4.716 3.209 -8.904 1.00 0.00 H new ATOM 0 HA ARG A 91 5.050 4.646 -6.384 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.503 3.472 -6.560 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.228 2.938 -5.483 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.097 1.001 -6.609 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.486 1.297 -7.231 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.162 0.756 -9.015 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.355 2.293 -9.257 1.00 0.00 H new ATOM 0 HE ARG A 91 8.833 2.617 -7.776 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.459 2.158 -11.002 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.825 2.927 -11.816 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.580 3.601 -8.837 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.581 3.739 -10.598 1.00 0.00 H new