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 62 ASN : amide:sc= 0 X(o=-0.3,f=-0.17) USER MOD Set 1.2: A 81 SER OG : rot 95:sc= -0.303 USER MOD Set 2.1: A 22 SER OG : rot 118:sc= 1.26 USER MOD Set 2.2: A 40 SER OG : rot 180:sc= 1.14 USER MOD Single : A 4 GLN : amide:sc= -2.84! C(o=-2.8!,f=-5.4!) USER MOD Single : A 5 HIS : no HD1:sc= -0.386 K(o=-0.39,f=-1.8) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.354 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -148:sc= -0.364 (180deg=-1.04) USER MOD Single : A 51 GLN : amide:sc= -2.09 K(o=-2.1,f=-2.9!) USER MOD Single : A 53 GLN : amide:sc=-0.00881 X(o=-0.0088,f=-0.086) USER MOD Single : A 55 ASN : amide:sc=-0.00424 X(o=-0.0042,f=0) USER MOD Single : A 60 MET CE :methyl -132:sc= -0.371 (180deg=-4.35!) USER MOD Single : A 65 SER OG : rot -105:sc= 0.982 USER MOD Single : A 66 MET CE :methyl 146:sc= -1.05 (180deg=-4.36!) USER MOD Single : A 68 ASN :FLIP amide:sc= -0.177 F(o=-0.94,f=-0.18) USER MOD Single : A 71 HIS : no HE2:sc= -1.92! X(o=-1.9!,f=-2.2) USER MOD Single : A 76 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.29) USER MOD Single : A 77 GLN : amide:sc= -0.545 X(o=-0.54,f=-0.092) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -0.466 K(o=-0.47,f=-1.1) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot -158:sc= -4.96! USER MOD ----------------------------------------------------------------- ATOM 134 N GLU A 3 3.211 5.656 -11.176 1.00 0.00 N ATOM 135 CA GLU A 3 3.065 4.582 -12.152 1.00 0.00 C ATOM 136 C GLU A 3 2.642 3.297 -11.450 1.00 0.00 C ATOM 137 O GLU A 3 3.063 3.036 -10.328 1.00 0.00 O ATOM 138 CB GLU A 3 4.379 4.364 -12.908 1.00 0.00 C ATOM 139 CG GLU A 3 4.213 4.331 -14.418 1.00 0.00 C ATOM 140 CD GLU A 3 4.656 5.619 -15.083 1.00 0.00 C ATOM 141 OE1 GLU A 3 4.366 6.702 -14.532 1.00 0.00 O ATOM 142 OE2 GLU A 3 5.294 5.546 -16.154 1.00 0.00 O ATOM 0 HA GLU A 3 2.296 4.864 -12.871 1.00 0.00 H new ATOM 0 HB2 GLU A 3 5.076 5.159 -12.645 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.826 3.426 -12.579 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.789 3.500 -14.825 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.167 4.143 -14.661 1.00 0.00 H new ATOM 149 N GLN A 4 1.801 2.505 -12.106 1.00 0.00 N ATOM 150 CA GLN A 4 1.315 1.259 -11.519 1.00 0.00 C ATOM 151 C GLN A 4 1.954 0.042 -12.175 1.00 0.00 C ATOM 152 O GLN A 4 2.036 -0.052 -13.400 1.00 0.00 O ATOM 153 CB GLN A 4 -0.207 1.180 -11.643 1.00 0.00 C ATOM 154 CG GLN A 4 -0.841 0.101 -10.779 1.00 0.00 C ATOM 155 CD GLN A 4 -2.354 0.092 -10.882 1.00 0.00 C ATOM 156 OE1 GLN A 4 -2.963 -0.943 -11.152 1.00 0.00 O ATOM 157 NE2 GLN A 4 -2.969 1.249 -10.668 1.00 0.00 N ATOM 0 H GLN A 4 1.442 2.701 -13.040 1.00 0.00 H new ATOM 0 HA GLN A 4 1.595 1.256 -10.466 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -0.634 2.146 -11.373 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.468 0.997 -12.685 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -0.454 -0.873 -11.077 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -0.551 0.255 -9.740 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -2.425 2.083 -10.447 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -3.986 1.304 -10.725 1.00 0.00 H new ATOM 166 N HIS A 5 2.405 -0.890 -11.339 1.00 0.00 N ATOM 167 CA HIS A 5 3.039 -2.111 -11.814 1.00 0.00 C ATOM 168 C HIS A 5 2.471 -3.333 -11.096 1.00 0.00 C ATOM 169 O HIS A 5 2.237 -3.303 -9.884 1.00 0.00 O ATOM 170 CB HIS A 5 4.553 -2.041 -11.601 1.00 0.00 C ATOM 171 CG HIS A 5 5.245 -1.102 -12.540 1.00 0.00 C ATOM 172 ND1 HIS A 5 4.992 0.253 -12.571 1.00 0.00 N ATOM 173 CD2 HIS A 5 6.188 -1.329 -13.485 1.00 0.00 C ATOM 174 CE1 HIS A 5 5.748 0.819 -13.496 1.00 0.00 C ATOM 175 NE2 HIS A 5 6.482 -0.119 -14.064 1.00 0.00 N ATOM 0 H HIS A 5 2.341 -0.819 -10.323 1.00 0.00 H new ATOM 0 HA HIS A 5 2.832 -2.207 -12.880 1.00 0.00 H new ATOM 0 HB2 HIS A 5 4.754 -1.731 -10.576 1.00 0.00 H new ATOM 0 HB3 HIS A 5 4.975 -3.039 -11.720 1.00 0.00 H new ATOM 0 HD2 HIS A 5 6.627 -2.283 -13.736 1.00 0.00 H new ATOM 0 HE1 HIS A 5 5.762 1.870 -13.744 1.00 0.00 H new ATOM 0 HE2 HIS A 5 7.159 0.031 -14.812 1.00 0.00 H new ATOM 184 N THR A 6 2.252 -4.405 -11.853 1.00 0.00 N ATOM 185 CA THR A 6 1.713 -5.642 -11.298 1.00 0.00 C ATOM 186 C THR A 6 2.810 -6.695 -11.163 1.00 0.00 C ATOM 187 O THR A 6 3.421 -7.098 -12.153 1.00 0.00 O ATOM 188 CB THR A 6 0.585 -6.179 -12.183 1.00 0.00 C ATOM 189 OG1 THR A 6 0.157 -5.194 -13.107 1.00 0.00 O ATOM 190 CG2 THR A 6 -0.628 -6.631 -11.397 1.00 0.00 C ATOM 0 H THR A 6 2.440 -4.441 -12.855 1.00 0.00 H new ATOM 0 HA THR A 6 1.313 -5.423 -10.308 1.00 0.00 H new ATOM 0 HB THR A 6 1.008 -7.042 -12.697 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.563 -5.558 -13.664 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.390 -7.000 -12.084 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.341 -7.428 -10.711 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.028 -5.791 -10.829 1.00 0.00 H new ATOM 198 N VAL A 7 3.058 -7.135 -9.933 1.00 0.00 N ATOM 199 CA VAL A 7 4.083 -8.141 -9.675 1.00 0.00 C ATOM 200 C VAL A 7 3.486 -9.385 -9.026 1.00 0.00 C ATOM 201 O VAL A 7 2.624 -9.289 -8.153 1.00 0.00 O ATOM 202 CB VAL A 7 5.196 -7.586 -8.766 1.00 0.00 C ATOM 203 CG1 VAL A 7 6.347 -8.574 -8.668 1.00 0.00 C ATOM 204 CG2 VAL A 7 5.681 -6.239 -9.279 1.00 0.00 C ATOM 0 H VAL A 7 2.564 -6.812 -9.101 1.00 0.00 H new ATOM 0 HA VAL A 7 4.511 -8.410 -10.641 1.00 0.00 H new ATOM 0 HB VAL A 7 4.786 -7.442 -7.766 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.124 -8.165 -8.022 1.00 0.00 H new ATOM 0 HG12 VAL A 7 5.985 -9.514 -8.250 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.758 -8.753 -9.661 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.467 -5.862 -8.625 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.074 -6.354 -10.289 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.850 -5.534 -9.291 1.00 0.00 H new ATOM 214 N THR A 8 3.951 -10.553 -9.460 1.00 0.00 N ATOM 215 CA THR A 8 3.465 -11.819 -8.921 1.00 0.00 C ATOM 216 C THR A 8 4.377 -12.323 -7.806 1.00 0.00 C ATOM 217 O THR A 8 5.550 -12.614 -8.037 1.00 0.00 O ATOM 218 CB THR A 8 3.368 -12.867 -10.031 1.00 0.00 C ATOM 219 OG1 THR A 8 2.790 -14.064 -9.542 1.00 0.00 O ATOM 220 CG2 THR A 8 4.708 -13.221 -10.642 1.00 0.00 C ATOM 0 H THR A 8 4.664 -10.649 -10.183 1.00 0.00 H new ATOM 0 HA THR A 8 2.472 -11.650 -8.504 1.00 0.00 H new ATOM 0 HB THR A 8 2.745 -12.413 -10.801 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.735 -14.721 -10.267 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.566 -13.969 -11.422 1.00 0.00 H new ATOM 0 HG22 THR A 8 5.158 -12.327 -11.074 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.365 -13.622 -9.870 1.00 0.00 H new ATOM 228 N LEU A 9 3.830 -12.420 -6.600 1.00 0.00 N ATOM 229 CA LEU A 9 4.596 -12.888 -5.450 1.00 0.00 C ATOM 230 C LEU A 9 4.190 -14.307 -5.065 1.00 0.00 C ATOM 231 O LEU A 9 3.055 -14.548 -4.652 1.00 0.00 O ATOM 232 CB LEU A 9 4.395 -11.947 -4.261 1.00 0.00 C ATOM 233 CG LEU A 9 4.726 -10.478 -4.533 1.00 0.00 C ATOM 234 CD1 LEU A 9 4.147 -9.589 -3.446 1.00 0.00 C ATOM 235 CD2 LEU A 9 6.232 -10.284 -4.638 1.00 0.00 C ATOM 0 H LEU A 9 2.860 -12.181 -6.393 1.00 0.00 H new ATOM 0 HA LEU A 9 5.650 -12.895 -5.726 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.357 -12.015 -3.935 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.013 -12.295 -3.433 1.00 0.00 H new ATOM 0 HG LEU A 9 4.274 -10.193 -5.483 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.393 -8.548 -3.657 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.064 -9.707 -3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.568 -9.873 -2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.451 -9.234 -4.832 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.704 -10.587 -3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.621 -10.892 -5.454 1.00 0.00 H new ATOM 247 N HIS A 10 5.124 -15.242 -5.200 1.00 0.00 N ATOM 248 CA HIS A 10 4.865 -16.638 -4.865 1.00 0.00 C ATOM 249 C HIS A 10 4.857 -16.838 -3.353 1.00 0.00 C ATOM 250 O HIS A 10 5.870 -16.628 -2.685 1.00 0.00 O ATOM 251 CB HIS A 10 5.918 -17.543 -5.507 1.00 0.00 C ATOM 252 CG HIS A 10 5.741 -17.713 -6.984 1.00 0.00 C ATOM 253 ND1 HIS A 10 5.858 -16.673 -7.880 1.00 0.00 N ATOM 254 CD2 HIS A 10 5.454 -18.813 -7.722 1.00 0.00 C ATOM 255 CE1 HIS A 10 5.651 -17.123 -9.105 1.00 0.00 C ATOM 256 NE2 HIS A 10 5.405 -18.419 -9.036 1.00 0.00 N ATOM 0 H HIS A 10 6.068 -15.059 -5.539 1.00 0.00 H new ATOM 0 HA HIS A 10 3.883 -16.905 -5.255 1.00 0.00 H new ATOM 0 HB2 HIS A 10 6.908 -17.129 -5.313 1.00 0.00 H new ATOM 0 HB3 HIS A 10 5.883 -18.522 -5.030 1.00 0.00 H new ATOM 0 HD2 HIS A 10 5.294 -19.813 -7.346 1.00 0.00 H new ATOM 0 HE1 HIS A 10 5.678 -16.532 -10.009 1.00 0.00 H new ATOM 0 HE2 HIS A 10 5.210 -19.028 -9.830 1.00 0.00 H new ATOM 265 N ARG A 11 3.710 -17.245 -2.820 1.00 0.00 N ATOM 266 CA ARG A 11 3.571 -17.473 -1.386 1.00 0.00 C ATOM 267 C ARG A 11 4.558 -18.531 -0.905 1.00 0.00 C ATOM 268 O ARG A 11 4.639 -19.622 -1.470 1.00 0.00 O ATOM 269 CB ARG A 11 2.140 -17.903 -1.054 1.00 0.00 C ATOM 270 CG ARG A 11 1.097 -16.842 -1.367 1.00 0.00 C ATOM 271 CD ARG A 11 0.231 -16.534 -0.156 1.00 0.00 C ATOM 272 NE ARG A 11 -0.233 -17.748 0.509 1.00 0.00 N ATOM 273 CZ ARG A 11 -0.689 -17.782 1.760 1.00 0.00 C ATOM 274 NH1 ARG A 11 -0.745 -16.669 2.483 1.00 0.00 N ATOM 275 NH2 ARG A 11 -1.090 -18.929 2.290 1.00 0.00 N ATOM 0 H ARG A 11 2.863 -17.424 -3.359 1.00 0.00 H new ATOM 0 HA ARG A 11 3.791 -16.538 -0.871 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.903 -18.809 -1.612 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.082 -18.156 0.005 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.593 -15.931 -1.701 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.467 -17.182 -2.189 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.798 -15.928 0.551 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.628 -15.940 -0.467 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.206 -18.622 -0.016 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.438 -15.783 2.081 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.095 -16.700 3.441 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.050 -19.787 1.740 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.439 -18.954 3.248 1.00 0.00 H new ATOM 289 N ALA A 12 5.307 -18.201 0.143 1.00 0.00 N ATOM 290 CA ALA A 12 6.288 -19.122 0.702 1.00 0.00 C ATOM 291 C ALA A 12 5.974 -19.442 2.161 1.00 0.00 C ATOM 292 O ALA A 12 5.263 -18.693 2.829 1.00 0.00 O ATOM 293 CB ALA A 12 7.689 -18.539 0.578 1.00 0.00 C ATOM 0 H ALA A 12 5.252 -17.302 0.622 1.00 0.00 H new ATOM 0 HA ALA A 12 6.240 -20.052 0.135 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.412 -19.237 0.999 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.920 -18.368 -0.473 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.739 -17.594 1.119 1.00 0.00 H new ATOM 299 N PRO A 13 6.502 -20.566 2.675 1.00 0.00 N ATOM 300 CA PRO A 13 6.275 -20.984 4.063 1.00 0.00 C ATOM 301 C PRO A 13 6.862 -19.998 5.067 1.00 0.00 C ATOM 302 O PRO A 13 7.933 -19.433 4.843 1.00 0.00 O ATOM 303 CB PRO A 13 6.990 -22.336 4.160 1.00 0.00 C ATOM 304 CG PRO A 13 7.985 -22.324 3.050 1.00 0.00 C ATOM 305 CD PRO A 13 7.363 -21.515 1.948 1.00 0.00 C ATOM 0 HA PRO A 13 5.212 -21.036 4.300 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.478 -22.456 5.127 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.288 -23.163 4.052 1.00 0.00 H new ATOM 0 HG2 PRO A 13 8.927 -21.882 3.375 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.207 -23.337 2.714 1.00 0.00 H new ATOM 0 HD2 PRO A 13 8.116 -21.000 1.351 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.787 -22.140 1.265 1.00 0.00 H new ATOM 313 N GLY A 14 6.156 -19.796 6.173 1.00 0.00 N ATOM 314 CA GLY A 14 6.622 -18.879 7.196 1.00 0.00 C ATOM 315 C GLY A 14 5.912 -17.541 7.143 1.00 0.00 C ATOM 316 O GLY A 14 5.769 -16.866 8.163 1.00 0.00 O ATOM 0 H GLY A 14 5.267 -20.252 6.380 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.471 -19.328 8.178 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.694 -18.723 7.078 1.00 0.00 H new ATOM 320 N PHE A 15 5.465 -17.157 5.952 1.00 0.00 N ATOM 321 CA PHE A 15 4.765 -15.891 5.770 1.00 0.00 C ATOM 322 C PHE A 15 3.667 -16.023 4.720 1.00 0.00 C ATOM 323 O PHE A 15 2.479 -15.977 5.042 1.00 0.00 O ATOM 324 CB PHE A 15 5.752 -14.795 5.364 1.00 0.00 C ATOM 325 CG PHE A 15 6.885 -14.621 6.333 1.00 0.00 C ATOM 326 CD1 PHE A 15 6.666 -14.065 7.584 1.00 0.00 C ATOM 327 CD2 PHE A 15 8.171 -15.013 5.996 1.00 0.00 C ATOM 328 CE1 PHE A 15 7.706 -13.904 8.478 1.00 0.00 C ATOM 329 CE2 PHE A 15 9.215 -14.854 6.886 1.00 0.00 C ATOM 330 CZ PHE A 15 8.983 -14.298 8.129 1.00 0.00 C ATOM 0 H PHE A 15 5.575 -17.704 5.098 1.00 0.00 H new ATOM 0 HA PHE A 15 4.302 -15.618 6.718 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.159 -15.029 4.380 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.216 -13.851 5.271 1.00 0.00 H new ATOM 0 HD1 PHE A 15 5.670 -13.754 7.863 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.359 -15.448 5.026 1.00 0.00 H new ATOM 0 HE1 PHE A 15 7.521 -13.470 9.450 1.00 0.00 H new ATOM 0 HE2 PHE A 15 10.212 -15.164 6.610 1.00 0.00 H new ATOM 0 HZ PHE A 15 9.798 -14.172 8.826 1.00 0.00 H new ATOM 340 N GLY A 16 4.070 -16.192 3.465 1.00 0.00 N ATOM 341 CA GLY A 16 3.105 -16.333 2.390 1.00 0.00 C ATOM 342 C GLY A 16 3.013 -15.095 1.519 1.00 0.00 C ATOM 343 O GLY A 16 3.863 -14.868 0.658 1.00 0.00 O ATOM 0 H GLY A 16 5.046 -16.234 3.173 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.379 -17.188 1.771 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.124 -16.548 2.814 1.00 0.00 H new ATOM 347 N PHE A 17 1.975 -14.294 1.740 1.00 0.00 N ATOM 348 CA PHE A 17 1.772 -13.074 0.963 1.00 0.00 C ATOM 349 C PHE A 17 2.958 -12.125 1.111 1.00 0.00 C ATOM 350 O PHE A 17 3.352 -11.457 0.155 1.00 0.00 O ATOM 351 CB PHE A 17 0.479 -12.362 1.386 1.00 0.00 C ATOM 352 CG PHE A 17 0.120 -12.542 2.836 1.00 0.00 C ATOM 353 CD1 PHE A 17 0.868 -11.932 3.832 1.00 0.00 C ATOM 354 CD2 PHE A 17 -0.964 -13.324 3.202 1.00 0.00 C ATOM 355 CE1 PHE A 17 0.540 -12.099 5.164 1.00 0.00 C ATOM 356 CE2 PHE A 17 -1.296 -13.494 4.532 1.00 0.00 C ATOM 357 CZ PHE A 17 -0.543 -12.880 5.514 1.00 0.00 C ATOM 0 H PHE A 17 1.262 -14.467 2.449 1.00 0.00 H new ATOM 0 HA PHE A 17 1.686 -13.364 -0.084 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.580 -11.297 1.178 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.343 -12.730 0.772 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.716 -11.320 3.564 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.556 -13.806 2.438 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.130 -11.619 5.930 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.143 -14.106 4.804 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.801 -13.011 6.554 1.00 0.00 H new ATOM 367 N GLY A 18 3.525 -12.071 2.312 1.00 0.00 N ATOM 368 CA GLY A 18 4.663 -11.202 2.555 1.00 0.00 C ATOM 369 C GLY A 18 4.262 -9.794 2.958 1.00 0.00 C ATOM 370 O GLY A 18 5.069 -9.053 3.523 1.00 0.00 O ATOM 0 H GLY A 18 3.218 -12.612 3.120 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.283 -11.636 3.340 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.276 -11.155 1.655 1.00 0.00 H new ATOM 374 N ILE A 19 3.021 -9.415 2.666 1.00 0.00 N ATOM 375 CA ILE A 19 2.531 -8.084 3.002 1.00 0.00 C ATOM 376 C ILE A 19 1.183 -8.154 3.712 1.00 0.00 C ATOM 377 O ILE A 19 0.577 -9.220 3.811 1.00 0.00 O ATOM 378 CB ILE A 19 2.387 -7.203 1.745 1.00 0.00 C ATOM 379 CG1 ILE A 19 1.595 -7.940 0.661 1.00 0.00 C ATOM 380 CG2 ILE A 19 3.758 -6.792 1.226 1.00 0.00 C ATOM 381 CD1 ILE A 19 0.342 -7.212 0.229 1.00 0.00 C ATOM 0 H ILE A 19 2.338 -10.011 2.198 1.00 0.00 H new ATOM 0 HA ILE A 19 3.268 -7.638 3.670 1.00 0.00 H new ATOM 0 HB ILE A 19 1.837 -6.301 2.014 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.236 -8.090 -0.208 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.322 -8.929 1.030 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.640 -6.170 0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.285 -6.228 1.996 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.333 -7.683 0.971 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.168 -7.791 -0.540 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.319 -7.085 1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.609 -6.234 -0.171 1.00 0.00 H new ATOM 393 N ALA A 20 0.720 -7.010 4.204 1.00 0.00 N ATOM 394 CA ALA A 20 -0.557 -6.940 4.904 1.00 0.00 C ATOM 395 C ALA A 20 -1.437 -5.834 4.332 1.00 0.00 C ATOM 396 O ALA A 20 -0.988 -4.703 4.147 1.00 0.00 O ATOM 397 CB ALA A 20 -0.329 -6.722 6.392 1.00 0.00 C ATOM 0 H ALA A 20 1.210 -6.118 4.131 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.075 -7.888 4.762 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.290 -6.671 6.904 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.254 -7.550 6.796 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.213 -5.788 6.544 1.00 0.00 H new ATOM 403 N ILE A 21 -2.692 -6.169 4.055 1.00 0.00 N ATOM 404 CA ILE A 21 -3.637 -5.205 3.503 1.00 0.00 C ATOM 405 C ILE A 21 -4.193 -4.296 4.594 1.00 0.00 C ATOM 406 O ILE A 21 -4.456 -4.739 5.712 1.00 0.00 O ATOM 407 CB ILE A 21 -4.809 -5.912 2.795 1.00 0.00 C ATOM 408 CG1 ILE A 21 -4.283 -6.973 1.826 1.00 0.00 C ATOM 409 CG2 ILE A 21 -5.673 -4.898 2.061 1.00 0.00 C ATOM 410 CD1 ILE A 21 -3.438 -6.404 0.707 1.00 0.00 C ATOM 0 H ILE A 21 -3.079 -7.101 4.204 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.090 -4.605 2.776 1.00 0.00 H new ATOM 0 HB ILE A 21 -5.423 -6.407 3.547 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.692 -7.701 2.382 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -5.128 -7.511 1.395 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -6.497 -5.412 1.566 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.072 -4.176 2.774 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.070 -4.378 1.317 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.100 -7.213 0.059 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.031 -5.698 0.126 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.574 -5.891 1.129 1.00 0.00 H new ATOM 422 N SER A 22 -4.367 -3.020 4.262 1.00 0.00 N ATOM 423 CA SER A 22 -4.892 -2.048 5.214 1.00 0.00 C ATOM 424 C SER A 22 -5.833 -1.064 4.526 1.00 0.00 C ATOM 425 O SER A 22 -5.524 -0.540 3.455 1.00 0.00 O ATOM 426 CB SER A 22 -3.744 -1.291 5.885 1.00 0.00 C ATOM 427 OG SER A 22 -3.980 -1.130 7.273 1.00 0.00 O ATOM 0 H SER A 22 -4.152 -2.636 3.342 1.00 0.00 H new ATOM 0 HA SER A 22 -5.456 -2.589 5.974 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.810 -1.832 5.732 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.627 -0.313 5.417 1.00 0.00 H new ATOM 0 HG SER A 22 -3.280 -1.592 7.780 1.00 0.00 H new ATOM 433 N GLY A 23 -6.981 -0.818 5.148 1.00 0.00 N ATOM 434 CA GLY A 23 -7.949 0.101 4.581 1.00 0.00 C ATOM 435 C GLY A 23 -9.314 -0.533 4.398 1.00 0.00 C ATOM 436 O GLY A 23 -9.809 -1.225 5.287 1.00 0.00 O ATOM 0 H GLY A 23 -7.258 -1.239 6.035 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.041 0.972 5.229 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.585 0.458 3.617 1.00 0.00 H new ATOM 440 N GLY A 24 -9.924 -0.296 3.241 1.00 0.00 N ATOM 441 CA GLY A 24 -11.234 -0.855 2.964 1.00 0.00 C ATOM 442 C GLY A 24 -12.263 0.209 2.642 1.00 0.00 C ATOM 443 O GLY A 24 -12.330 1.240 3.312 1.00 0.00 O ATOM 0 H GLY A 24 -9.534 0.274 2.490 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.160 -1.549 2.127 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.569 -1.431 3.827 1.00 0.00 H new ATOM 447 N ARG A 25 -13.066 -0.037 1.612 1.00 0.00 N ATOM 448 CA ARG A 25 -14.095 0.911 1.203 1.00 0.00 C ATOM 449 C ARG A 25 -15.241 0.948 2.212 1.00 0.00 C ATOM 450 O ARG A 25 -15.931 1.959 2.343 1.00 0.00 O ATOM 451 CB ARG A 25 -14.630 0.551 -0.186 1.00 0.00 C ATOM 452 CG ARG A 25 -15.414 -0.752 -0.225 1.00 0.00 C ATOM 453 CD ARG A 25 -16.639 -0.639 -1.118 1.00 0.00 C ATOM 454 NE ARG A 25 -17.309 -1.926 -1.294 1.00 0.00 N ATOM 455 CZ ARG A 25 -18.165 -2.187 -2.280 1.00 0.00 C ATOM 456 NH1 ARG A 25 -18.460 -1.255 -3.177 1.00 0.00 N ATOM 457 NH2 ARG A 25 -18.729 -3.385 -2.367 1.00 0.00 N ATOM 0 H ARG A 25 -13.024 -0.884 1.046 1.00 0.00 H new ATOM 0 HA ARG A 25 -13.642 1.902 1.164 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -15.270 1.360 -0.539 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -13.793 0.481 -0.880 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -14.771 -1.554 -0.588 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -15.722 -1.023 0.785 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -17.338 0.077 -0.686 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -16.343 -0.248 -2.092 1.00 0.00 H new ATOM 0 HE ARG A 25 -17.109 -2.667 -0.622 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -18.030 -0.332 -3.114 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -19.117 -1.461 -3.930 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -18.507 -4.105 -1.679 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -19.385 -3.586 -3.122 1.00 0.00 H new ATOM 613 N SER A 36 -8.537 4.323 -2.110 1.00 0.00 N ATOM 614 CA SER A 36 -7.952 3.025 -2.426 1.00 0.00 C ATOM 615 C SER A 36 -7.350 2.377 -1.183 1.00 0.00 C ATOM 616 O SER A 36 -7.256 3.002 -0.127 1.00 0.00 O ATOM 617 CB SER A 36 -6.880 3.176 -3.506 1.00 0.00 C ATOM 618 OG SER A 36 -5.697 3.747 -2.974 1.00 0.00 O ATOM 0 HA SER A 36 -8.747 2.379 -2.798 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.655 2.201 -3.938 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.259 3.802 -4.314 1.00 0.00 H new ATOM 0 HG SER A 36 -5.027 3.832 -3.684 1.00 0.00 H new ATOM 624 N ILE A 37 -6.944 1.118 -1.320 1.00 0.00 N ATOM 625 CA ILE A 37 -6.351 0.379 -0.212 1.00 0.00 C ATOM 626 C ILE A 37 -4.863 0.686 -0.078 1.00 0.00 C ATOM 627 O ILE A 37 -4.213 1.084 -1.045 1.00 0.00 O ATOM 628 CB ILE A 37 -6.536 -1.140 -0.387 1.00 0.00 C ATOM 629 CG1 ILE A 37 -7.977 -1.461 -0.794 1.00 0.00 C ATOM 630 CG2 ILE A 37 -6.169 -1.870 0.896 1.00 0.00 C ATOM 631 CD1 ILE A 37 -9.001 -1.063 0.247 1.00 0.00 C ATOM 0 H ILE A 37 -7.015 0.588 -2.189 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.868 0.699 0.693 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.871 -1.481 -1.180 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.204 -0.950 -1.730 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.062 -2.531 -0.986 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.305 -2.942 0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.128 -1.666 1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.811 -1.526 1.707 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.999 -1.320 -0.108 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.799 -1.594 1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.943 0.011 0.422 1.00 0.00 H new ATOM 643 N VAL A 38 -4.329 0.499 1.125 1.00 0.00 N ATOM 644 CA VAL A 38 -2.918 0.757 1.386 1.00 0.00 C ATOM 645 C VAL A 38 -2.255 -0.441 2.060 1.00 0.00 C ATOM 646 O VAL A 38 -2.933 -1.346 2.546 1.00 0.00 O ATOM 647 CB VAL A 38 -2.728 1.998 2.277 1.00 0.00 C ATOM 648 CG1 VAL A 38 -2.761 3.269 1.442 1.00 0.00 C ATOM 649 CG2 VAL A 38 -3.784 2.044 3.373 1.00 0.00 C ATOM 0 H VAL A 38 -4.853 0.169 1.935 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.447 0.936 0.419 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.750 1.928 2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.625 4.134 2.091 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.960 3.240 0.703 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.722 3.345 0.933 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.630 2.929 3.990 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.775 2.084 2.922 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.704 1.151 3.993 1.00 0.00 H new ATOM 659 N ILE A 39 -0.926 -0.437 2.086 1.00 0.00 N ATOM 660 CA ILE A 39 -0.170 -1.521 2.700 1.00 0.00 C ATOM 661 C ILE A 39 0.027 -1.275 4.192 1.00 0.00 C ATOM 662 O ILE A 39 0.658 -0.297 4.592 1.00 0.00 O ATOM 663 CB ILE A 39 1.209 -1.695 2.034 1.00 0.00 C ATOM 664 CG1 ILE A 39 1.064 -1.722 0.511 1.00 0.00 C ATOM 665 CG2 ILE A 39 1.881 -2.966 2.530 1.00 0.00 C ATOM 666 CD1 ILE A 39 0.271 -2.904 0.000 1.00 0.00 C ATOM 0 H ILE A 39 -0.351 0.306 1.689 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.751 -2.432 2.556 1.00 0.00 H new ATOM 0 HB ILE A 39 1.837 -0.846 2.306 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.580 -0.802 0.184 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.056 -1.738 0.060 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.854 -3.074 2.050 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.014 -2.910 3.610 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.258 -3.826 2.285 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.209 -2.858 -1.087 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.765 -3.829 0.296 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.734 -2.878 0.422 1.00 0.00 H new ATOM 678 N SER A 40 -0.515 -2.170 5.011 1.00 0.00 N ATOM 679 CA SER A 40 -0.401 -2.051 6.460 1.00 0.00 C ATOM 680 C SER A 40 1.057 -2.141 6.902 1.00 0.00 C ATOM 681 O SER A 40 1.629 -1.168 7.393 1.00 0.00 O ATOM 682 CB SER A 40 -1.225 -3.141 7.149 1.00 0.00 C ATOM 683 OG SER A 40 -1.982 -2.607 8.221 1.00 0.00 O ATOM 0 H SER A 40 -1.038 -2.987 4.696 1.00 0.00 H new ATOM 0 HA SER A 40 -0.789 -1.075 6.751 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.893 -3.608 6.425 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.562 -3.922 7.521 1.00 0.00 H new ATOM 0 HG SER A 40 -2.501 -3.323 8.644 1.00 0.00 H new ATOM 689 N ASP A 41 1.652 -3.316 6.724 1.00 0.00 N ATOM 690 CA ASP A 41 3.043 -3.535 7.106 1.00 0.00 C ATOM 691 C ASP A 41 3.598 -4.790 6.440 1.00 0.00 C ATOM 692 O ASP A 41 2.848 -5.699 6.085 1.00 0.00 O ATOM 693 CB ASP A 41 3.164 -3.650 8.628 1.00 0.00 C ATOM 694 CG ASP A 41 3.789 -2.417 9.252 1.00 0.00 C ATOM 695 OD1 ASP A 41 4.744 -1.872 8.661 1.00 0.00 O ATOM 696 OD2 ASP A 41 3.323 -1.998 10.332 1.00 0.00 O ATOM 0 H ASP A 41 1.193 -4.131 6.318 1.00 0.00 H new ATOM 0 HA ASP A 41 3.627 -2.679 6.768 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.175 -3.810 9.058 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.765 -4.525 8.877 1.00 0.00 H new ATOM 701 N VAL A 42 4.915 -4.832 6.270 1.00 0.00 N ATOM 702 CA VAL A 42 5.568 -5.976 5.644 1.00 0.00 C ATOM 703 C VAL A 42 6.610 -6.595 6.569 1.00 0.00 C ATOM 704 O VAL A 42 7.299 -5.891 7.307 1.00 0.00 O ATOM 705 CB VAL A 42 6.251 -5.578 4.322 1.00 0.00 C ATOM 706 CG1 VAL A 42 5.217 -5.159 3.290 1.00 0.00 C ATOM 707 CG2 VAL A 42 7.263 -4.467 4.558 1.00 0.00 C ATOM 0 H VAL A 42 5.551 -4.088 6.557 1.00 0.00 H new ATOM 0 HA VAL A 42 4.787 -6.708 5.440 1.00 0.00 H new ATOM 0 HB VAL A 42 6.783 -6.446 3.934 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.719 -4.882 2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.536 -5.989 3.099 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.653 -4.306 3.666 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.736 -4.199 3.613 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.756 -3.595 4.971 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.023 -4.810 5.259 1.00 0.00 H new ATOM 717 N LEU A 43 6.719 -7.919 6.520 1.00 0.00 N ATOM 718 CA LEU A 43 7.681 -8.639 7.350 1.00 0.00 C ATOM 719 C LEU A 43 9.113 -8.324 6.925 1.00 0.00 C ATOM 720 O LEU A 43 10.040 -8.403 7.730 1.00 0.00 O ATOM 721 CB LEU A 43 7.438 -10.149 7.271 1.00 0.00 C ATOM 722 CG LEU A 43 7.007 -10.672 5.896 1.00 0.00 C ATOM 723 CD1 LEU A 43 7.819 -11.900 5.510 1.00 0.00 C ATOM 724 CD2 LEU A 43 5.519 -10.991 5.891 1.00 0.00 C ATOM 0 H LEU A 43 6.154 -8.515 5.915 1.00 0.00 H new ATOM 0 HA LEU A 43 7.543 -8.310 8.380 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.352 -10.663 7.567 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.672 -10.416 7.999 1.00 0.00 H new ATOM 0 HG LEU A 43 7.195 -9.893 5.157 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.498 -12.256 4.531 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.877 -11.640 5.472 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.665 -12.685 6.250 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.230 -11.361 4.907 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.308 -11.752 6.642 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.953 -10.088 6.120 1.00 0.00 H new ATOM 736 N LYS A 44 9.286 -7.969 5.654 1.00 0.00 N ATOM 737 CA LYS A 44 10.605 -7.645 5.123 1.00 0.00 C ATOM 738 C LYS A 44 11.497 -8.883 5.090 1.00 0.00 C ATOM 739 O LYS A 44 12.716 -8.785 5.229 1.00 0.00 O ATOM 740 CB LYS A 44 11.266 -6.547 5.960 1.00 0.00 C ATOM 741 CG LYS A 44 12.212 -5.661 5.164 1.00 0.00 C ATOM 742 CD LYS A 44 13.635 -5.743 5.694 1.00 0.00 C ATOM 743 CE LYS A 44 13.803 -4.925 6.965 1.00 0.00 C ATOM 744 NZ LYS A 44 13.213 -3.564 6.831 1.00 0.00 N ATOM 0 H LYS A 44 8.529 -7.899 4.974 1.00 0.00 H new ATOM 0 HA LYS A 44 10.477 -7.283 4.103 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.490 -5.926 6.407 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.817 -7.008 6.780 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.196 -5.960 4.116 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.866 -4.628 5.206 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.891 -6.784 5.893 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.329 -5.384 4.934 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.329 -5.446 7.797 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.863 -4.839 7.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.761 -2.890 7.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 13.237 -3.272 5.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.228 -3.578 7.163 1.00 0.00 H new ATOM 758 N GLY A 45 10.879 -10.044 4.907 1.00 0.00 N ATOM 759 CA GLY A 45 11.630 -11.285 4.859 1.00 0.00 C ATOM 760 C GLY A 45 10.996 -12.319 3.947 1.00 0.00 C ATOM 761 O GLY A 45 11.287 -13.511 4.052 1.00 0.00 O ATOM 0 H GLY A 45 9.871 -10.148 4.791 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.644 -11.078 4.517 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.711 -11.695 5.866 1.00 0.00 H new ATOM 765 N GLY A 46 10.125 -11.864 3.049 1.00 0.00 N ATOM 766 CA GLY A 46 9.465 -12.774 2.130 1.00 0.00 C ATOM 767 C GLY A 46 9.388 -12.219 0.719 1.00 0.00 C ATOM 768 O GLY A 46 10.034 -11.219 0.408 1.00 0.00 O ATOM 0 H GLY A 46 9.866 -10.883 2.942 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.001 -13.723 2.115 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.458 -12.983 2.491 1.00 0.00 H new ATOM 772 N PRO A 47 8.597 -12.853 -0.165 1.00 0.00 N ATOM 773 CA PRO A 47 8.447 -12.404 -1.553 1.00 0.00 C ATOM 774 C PRO A 47 8.094 -10.924 -1.648 1.00 0.00 C ATOM 775 O PRO A 47 8.416 -10.260 -2.634 1.00 0.00 O ATOM 776 CB PRO A 47 7.297 -13.263 -2.083 1.00 0.00 C ATOM 777 CG PRO A 47 7.325 -14.492 -1.242 1.00 0.00 C ATOM 778 CD PRO A 47 7.789 -14.053 0.119 1.00 0.00 C ATOM 0 HA PRO A 47 9.373 -12.513 -2.118 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.342 -12.745 -1.995 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.434 -13.502 -3.138 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.338 -14.951 -1.188 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.000 -15.237 -1.663 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.949 -13.826 0.776 1.00 0.00 H new ATOM 0 HD3 PRO A 47 8.378 -14.827 0.611 1.00 0.00 H new ATOM 786 N ALA A 48 7.430 -10.412 -0.617 1.00 0.00 N ATOM 787 CA ALA A 48 7.034 -9.010 -0.582 1.00 0.00 C ATOM 788 C ALA A 48 7.803 -8.252 0.494 1.00 0.00 C ATOM 789 O ALA A 48 7.273 -7.333 1.120 1.00 0.00 O ATOM 790 CB ALA A 48 5.536 -8.892 -0.346 1.00 0.00 C ATOM 0 H ALA A 48 7.155 -10.948 0.206 1.00 0.00 H new ATOM 0 HA ALA A 48 7.275 -8.564 -1.547 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.253 -7.840 -0.322 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.000 -9.393 -1.152 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.280 -9.358 0.605 1.00 0.00 H new ATOM 796 N GLU A 49 9.054 -8.646 0.707 1.00 0.00 N ATOM 797 CA GLU A 49 9.899 -8.006 1.709 1.00 0.00 C ATOM 798 C GLU A 49 10.032 -6.510 1.441 1.00 0.00 C ATOM 799 O GLU A 49 9.859 -5.691 2.344 1.00 0.00 O ATOM 800 CB GLU A 49 11.284 -8.657 1.729 1.00 0.00 C ATOM 801 CG GLU A 49 11.982 -8.641 0.380 1.00 0.00 C ATOM 802 CD GLU A 49 13.265 -9.451 0.378 1.00 0.00 C ATOM 803 OE1 GLU A 49 14.133 -9.191 1.237 1.00 0.00 O ATOM 804 OE2 GLU A 49 13.400 -10.346 -0.483 1.00 0.00 O ATOM 0 H GLU A 49 9.506 -9.406 0.199 1.00 0.00 H new ATOM 0 HA GLU A 49 9.426 -8.139 2.682 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.909 -8.141 2.458 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.187 -9.689 2.066 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.307 -9.035 -0.379 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.206 -7.611 0.103 1.00 0.00 H new ATOM 811 N GLY A 50 10.341 -6.161 0.197 1.00 0.00 N ATOM 812 CA GLY A 50 10.492 -4.764 -0.163 1.00 0.00 C ATOM 813 C GLY A 50 9.860 -4.436 -1.501 1.00 0.00 C ATOM 814 O GLY A 50 10.352 -3.579 -2.235 1.00 0.00 O ATOM 0 H GLY A 50 10.489 -6.820 -0.567 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.040 -4.142 0.610 1.00 0.00 H new ATOM 0 HA3 GLY A 50 11.552 -4.513 -0.195 1.00 0.00 H new ATOM 818 N GLN A 51 8.764 -5.118 -1.819 1.00 0.00 N ATOM 819 CA GLN A 51 8.063 -4.894 -3.078 1.00 0.00 C ATOM 820 C GLN A 51 6.800 -4.067 -2.855 1.00 0.00 C ATOM 821 O GLN A 51 6.510 -3.142 -3.615 1.00 0.00 O ATOM 822 CB GLN A 51 7.708 -6.231 -3.733 1.00 0.00 C ATOM 823 CG GLN A 51 8.355 -6.432 -5.094 1.00 0.00 C ATOM 824 CD GLN A 51 7.563 -5.788 -6.215 1.00 0.00 C ATOM 825 OE1 GLN A 51 6.334 -5.738 -6.174 1.00 0.00 O ATOM 826 NE2 GLN A 51 8.266 -5.290 -7.226 1.00 0.00 N ATOM 0 H GLN A 51 8.343 -5.830 -1.222 1.00 0.00 H new ATOM 0 HA GLN A 51 8.725 -4.339 -3.743 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.012 -7.042 -3.072 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.625 -6.297 -3.841 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.362 -6.015 -5.079 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.455 -7.499 -5.291 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.284 -5.353 -7.219 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.788 -4.844 -8.009 1.00 0.00 H new ATOM 835 N LEU A 52 6.055 -4.405 -1.808 1.00 0.00 N ATOM 836 CA LEU A 52 4.823 -3.693 -1.484 1.00 0.00 C ATOM 837 C LEU A 52 4.900 -3.089 -0.086 1.00 0.00 C ATOM 838 O LEU A 52 4.962 -3.810 0.910 1.00 0.00 O ATOM 839 CB LEU A 52 3.621 -4.636 -1.580 1.00 0.00 C ATOM 840 CG LEU A 52 3.665 -5.631 -2.742 1.00 0.00 C ATOM 841 CD1 LEU A 52 2.861 -6.877 -2.408 1.00 0.00 C ATOM 842 CD2 LEU A 52 3.144 -4.983 -4.015 1.00 0.00 C ATOM 0 H LEU A 52 6.282 -5.167 -1.169 1.00 0.00 H new ATOM 0 HA LEU A 52 4.698 -2.885 -2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.542 -5.194 -0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.715 -4.036 -1.670 1.00 0.00 H new ATOM 0 HG LEU A 52 4.701 -5.926 -2.905 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.904 -7.573 -3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.278 -7.352 -1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.824 -6.601 -2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.182 -5.704 -4.832 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.114 -4.660 -3.864 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.762 -4.120 -4.263 1.00 0.00 H new ATOM 854 N GLN A 53 4.897 -1.762 -0.017 1.00 0.00 N ATOM 855 CA GLN A 53 4.967 -1.062 1.261 1.00 0.00 C ATOM 856 C GLN A 53 4.135 0.214 1.230 1.00 0.00 C ATOM 857 O GLN A 53 3.608 0.598 0.185 1.00 0.00 O ATOM 858 CB GLN A 53 6.421 -0.730 1.605 1.00 0.00 C ATOM 859 CG GLN A 53 7.088 0.197 0.601 1.00 0.00 C ATOM 860 CD GLN A 53 8.364 -0.386 0.025 1.00 0.00 C ATOM 861 OE1 GLN A 53 8.393 -1.536 -0.412 1.00 0.00 O ATOM 862 NE2 GLN A 53 9.429 0.408 0.023 1.00 0.00 N ATOM 0 H GLN A 53 4.847 -1.149 -0.831 1.00 0.00 H new ATOM 0 HA GLN A 53 4.560 -1.719 2.029 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.456 -0.268 2.592 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.992 -1.657 1.666 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.392 0.409 -0.210 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.313 1.148 1.084 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.360 1.355 0.396 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.316 0.071 -0.351 1.00 0.00 H new ATOM 871 N GLU A 54 4.020 0.870 2.382 1.00 0.00 N ATOM 872 CA GLU A 54 3.250 2.106 2.490 1.00 0.00 C ATOM 873 C GLU A 54 3.635 3.092 1.391 1.00 0.00 C ATOM 874 O GLU A 54 2.811 3.887 0.939 1.00 0.00 O ATOM 875 CB GLU A 54 3.463 2.745 3.863 1.00 0.00 C ATOM 876 CG GLU A 54 2.208 3.379 4.441 1.00 0.00 C ATOM 877 CD GLU A 54 2.502 4.283 5.622 1.00 0.00 C ATOM 878 OE1 GLU A 54 3.603 4.871 5.661 1.00 0.00 O ATOM 879 OE2 GLU A 54 1.631 4.404 6.508 1.00 0.00 O ATOM 0 H GLU A 54 4.451 0.566 3.255 1.00 0.00 H new ATOM 0 HA GLU A 54 2.196 1.856 2.371 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.828 1.986 4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.240 3.505 3.784 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.705 3.955 3.664 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.519 2.594 4.752 1.00 0.00 H new ATOM 886 N ASN A 55 4.893 3.032 0.962 1.00 0.00 N ATOM 887 CA ASN A 55 5.385 3.917 -0.086 1.00 0.00 C ATOM 888 C ASN A 55 4.719 3.593 -1.421 1.00 0.00 C ATOM 889 O ASN A 55 4.517 4.474 -2.256 1.00 0.00 O ATOM 890 CB ASN A 55 6.904 3.792 -0.218 1.00 0.00 C ATOM 891 CG ASN A 55 7.551 5.080 -0.689 1.00 0.00 C ATOM 892 OD1 ASN A 55 8.019 5.172 -1.824 1.00 0.00 O ATOM 893 ND2 ASN A 55 7.583 6.081 0.183 1.00 0.00 N ATOM 0 H ASN A 55 5.588 2.380 1.325 1.00 0.00 H new ATOM 0 HA ASN A 55 5.136 4.942 0.189 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.327 3.507 0.745 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.140 2.992 -0.920 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.008 6.971 -0.078 1.00 0.00 H new ATOM 0 HD22 ASN A 55 7.183 5.960 1.113 1.00 0.00 H new ATOM 900 N ASP A 56 4.378 2.322 -1.610 1.00 0.00 N ATOM 901 CA ASP A 56 3.731 1.878 -2.838 1.00 0.00 C ATOM 902 C ASP A 56 2.228 1.734 -2.632 1.00 0.00 C ATOM 903 O ASP A 56 1.775 0.905 -1.842 1.00 0.00 O ATOM 904 CB ASP A 56 4.324 0.544 -3.299 1.00 0.00 C ATOM 905 CG ASP A 56 5.840 0.533 -3.241 1.00 0.00 C ATOM 906 OD1 ASP A 56 6.439 1.625 -3.148 1.00 0.00 O ATOM 907 OD2 ASP A 56 6.428 -0.568 -3.286 1.00 0.00 O ATOM 0 H ASP A 56 4.539 1.582 -0.927 1.00 0.00 H new ATOM 0 HA ASP A 56 3.907 2.630 -3.607 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.934 -0.259 -2.674 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.001 0.339 -4.320 1.00 0.00 H new ATOM 912 N ARG A 57 1.456 2.550 -3.343 1.00 0.00 N ATOM 913 CA ARG A 57 0.002 2.514 -3.232 1.00 0.00 C ATOM 914 C ARG A 57 -0.584 1.386 -4.077 1.00 0.00 C ATOM 915 O ARG A 57 -0.401 1.349 -5.294 1.00 0.00 O ATOM 916 CB ARG A 57 -0.597 3.855 -3.662 1.00 0.00 C ATOM 917 CG ARG A 57 -1.689 4.359 -2.732 1.00 0.00 C ATOM 918 CD ARG A 57 -2.391 5.578 -3.307 1.00 0.00 C ATOM 919 NE ARG A 57 -1.563 6.778 -3.220 1.00 0.00 N ATOM 920 CZ ARG A 57 -1.416 7.499 -2.111 1.00 0.00 C ATOM 921 NH1 ARG A 57 -2.037 7.143 -0.993 1.00 0.00 N ATOM 922 NH2 ARG A 57 -0.645 8.577 -2.118 1.00 0.00 N ATOM 0 H ARG A 57 1.812 3.243 -4.001 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.252 2.328 -2.188 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.198 4.599 -3.713 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.005 3.756 -4.668 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.417 3.566 -2.560 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.256 4.610 -1.763 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.648 5.390 -4.349 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -3.326 5.743 -2.772 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.068 7.081 -4.059 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.630 6.313 -0.981 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.921 7.699 -0.146 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.164 8.854 -2.974 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.533 9.129 -1.268 1.00 0.00 H new ATOM 936 N VAL A 58 -1.291 0.471 -3.422 1.00 0.00 N ATOM 937 CA VAL A 58 -1.907 -0.656 -4.112 1.00 0.00 C ATOM 938 C VAL A 58 -3.203 -0.234 -4.797 1.00 0.00 C ATOM 939 O VAL A 58 -4.058 0.409 -4.187 1.00 0.00 O ATOM 940 CB VAL A 58 -2.199 -1.818 -3.141 1.00 0.00 C ATOM 941 CG1 VAL A 58 -3.172 -1.382 -2.056 1.00 0.00 C ATOM 942 CG2 VAL A 58 -2.735 -3.028 -3.897 1.00 0.00 C ATOM 0 H VAL A 58 -1.451 0.488 -2.415 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.197 -0.997 -4.865 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.264 -2.105 -2.660 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.364 -2.217 -1.382 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.742 -0.553 -1.493 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.108 -1.063 -2.514 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.935 -3.837 -3.194 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.658 -2.757 -4.410 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.996 -3.357 -4.628 1.00 0.00 H new ATOM 952 N ALA A 59 -3.340 -0.594 -6.069 1.00 0.00 N ATOM 953 CA ALA A 59 -4.532 -0.247 -6.836 1.00 0.00 C ATOM 954 C ALA A 59 -5.321 -1.491 -7.234 1.00 0.00 C ATOM 955 O ALA A 59 -6.533 -1.426 -7.437 1.00 0.00 O ATOM 956 CB ALA A 59 -4.147 0.552 -8.072 1.00 0.00 C ATOM 0 H ALA A 59 -2.642 -1.125 -6.590 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.173 0.365 -6.201 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.045 0.805 -8.636 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.638 1.467 -7.770 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.481 -0.043 -8.697 1.00 0.00 H new ATOM 962 N MET A 60 -4.629 -2.620 -7.347 1.00 0.00 N ATOM 963 CA MET A 60 -5.274 -3.872 -7.725 1.00 0.00 C ATOM 964 C MET A 60 -4.556 -5.066 -7.102 1.00 0.00 C ATOM 965 O MET A 60 -3.346 -5.030 -6.881 1.00 0.00 O ATOM 966 CB MET A 60 -5.301 -4.017 -9.247 1.00 0.00 C ATOM 967 CG MET A 60 -6.112 -5.207 -9.731 1.00 0.00 C ATOM 968 SD MET A 60 -5.789 -5.611 -11.458 1.00 0.00 S ATOM 969 CE MET A 60 -7.444 -5.527 -12.141 1.00 0.00 C ATOM 0 H MET A 60 -3.625 -2.694 -7.183 1.00 0.00 H new ATOM 0 HA MET A 60 -6.297 -3.851 -7.350 1.00 0.00 H new ATOM 0 HB2 MET A 60 -5.712 -3.106 -9.683 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.279 -4.112 -9.613 1.00 0.00 H new ATOM 0 HG2 MET A 60 -5.884 -6.074 -9.110 1.00 0.00 H new ATOM 0 HG3 MET A 60 -7.173 -4.994 -9.604 1.00 0.00 H new ATOM 0 HE1 MET A 60 -7.634 -6.414 -12.745 1.00 0.00 H new ATOM 0 HE2 MET A 60 -8.170 -5.479 -11.330 1.00 0.00 H new ATOM 0 HE3 MET A 60 -7.536 -4.637 -12.764 1.00 0.00 H new ATOM 979 N VAL A 61 -5.313 -6.123 -6.822 1.00 0.00 N ATOM 980 CA VAL A 61 -4.752 -7.329 -6.226 1.00 0.00 C ATOM 981 C VAL A 61 -5.400 -8.580 -6.811 1.00 0.00 C ATOM 982 O VAL A 61 -6.610 -8.775 -6.697 1.00 0.00 O ATOM 983 CB VAL A 61 -4.932 -7.338 -4.697 1.00 0.00 C ATOM 984 CG1 VAL A 61 -4.183 -8.508 -4.076 1.00 0.00 C ATOM 985 CG2 VAL A 61 -4.466 -6.020 -4.097 1.00 0.00 C ATOM 0 H VAL A 61 -6.317 -6.168 -6.999 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.687 -7.331 -6.457 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.993 -7.458 -4.476 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.323 -8.497 -2.995 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.568 -9.443 -4.482 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.121 -8.423 -4.306 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.601 -6.045 -3.016 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.412 -5.868 -4.328 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.051 -5.202 -4.517 1.00 0.00 H new ATOM 995 N ASN A 62 -4.587 -9.425 -7.436 1.00 0.00 N ATOM 996 CA ASN A 62 -5.082 -10.657 -8.039 1.00 0.00 C ATOM 997 C ASN A 62 -6.151 -10.361 -9.087 1.00 0.00 C ATOM 998 O ASN A 62 -7.078 -11.147 -9.281 1.00 0.00 O ATOM 999 CB ASN A 62 -5.650 -11.584 -6.962 1.00 0.00 C ATOM 1000 CG ASN A 62 -5.354 -13.044 -7.241 1.00 0.00 C ATOM 1001 OD1 ASN A 62 -6.001 -13.673 -8.078 1.00 0.00 O ATOM 1002 ND2 ASN A 62 -4.369 -13.593 -6.537 1.00 0.00 N ATOM 0 H ASN A 62 -3.583 -9.279 -7.538 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.245 -11.152 -8.531 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.232 -11.310 -5.993 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.729 -11.441 -6.895 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.124 -14.573 -6.681 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.858 -13.035 -5.853 1.00 0.00 H new ATOM 1009 N GLY A 63 -6.014 -9.222 -9.758 1.00 0.00 N ATOM 1010 CA GLY A 63 -6.976 -8.843 -10.777 1.00 0.00 C ATOM 1011 C GLY A 63 -8.185 -8.119 -10.209 1.00 0.00 C ATOM 1012 O GLY A 63 -9.125 -7.807 -10.940 1.00 0.00 O ATOM 0 H GLY A 63 -5.255 -8.555 -9.615 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.487 -8.202 -11.511 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.309 -9.736 -11.305 1.00 0.00 H new ATOM 1016 N VAL A 64 -8.164 -7.852 -8.906 1.00 0.00 N ATOM 1017 CA VAL A 64 -9.271 -7.163 -8.252 1.00 0.00 C ATOM 1018 C VAL A 64 -8.894 -5.726 -7.905 1.00 0.00 C ATOM 1019 O VAL A 64 -7.867 -5.479 -7.274 1.00 0.00 O ATOM 1020 CB VAL A 64 -9.707 -7.891 -6.967 1.00 0.00 C ATOM 1021 CG1 VAL A 64 -10.979 -7.274 -6.407 1.00 0.00 C ATOM 1022 CG2 VAL A 64 -9.900 -9.376 -7.234 1.00 0.00 C ATOM 0 H VAL A 64 -7.395 -8.102 -8.284 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.102 -7.159 -8.957 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.918 -7.778 -6.223 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.271 -7.802 -5.499 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.802 -6.224 -6.175 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.777 -7.353 -7.145 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.208 -9.874 -6.315 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.668 -9.512 -7.995 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -8.962 -9.808 -7.584 1.00 0.00 H new ATOM 1032 N SER A 65 -9.733 -4.783 -8.322 1.00 0.00 N ATOM 1033 CA SER A 65 -9.489 -3.371 -8.054 1.00 0.00 C ATOM 1034 C SER A 65 -9.498 -3.092 -6.555 1.00 0.00 C ATOM 1035 O SER A 65 -10.281 -3.679 -5.808 1.00 0.00 O ATOM 1036 CB SER A 65 -10.543 -2.509 -8.755 1.00 0.00 C ATOM 1037 OG SER A 65 -9.954 -1.703 -9.763 1.00 0.00 O ATOM 0 H SER A 65 -10.587 -4.971 -8.847 1.00 0.00 H new ATOM 0 HA SER A 65 -8.504 -3.116 -8.445 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.306 -3.150 -9.197 1.00 0.00 H new ATOM 0 HB3 SER A 65 -11.044 -1.874 -8.024 1.00 0.00 H new ATOM 0 HG SER A 65 -9.899 -0.776 -9.450 1.00 0.00 H new ATOM 1043 N MET A 66 -8.623 -2.190 -6.120 1.00 0.00 N ATOM 1044 CA MET A 66 -8.529 -1.831 -4.711 1.00 0.00 C ATOM 1045 C MET A 66 -8.936 -0.378 -4.489 1.00 0.00 C ATOM 1046 O MET A 66 -8.445 0.282 -3.574 1.00 0.00 O ATOM 1047 CB MET A 66 -7.106 -2.057 -4.199 1.00 0.00 C ATOM 1048 CG MET A 66 -6.702 -3.522 -4.147 1.00 0.00 C ATOM 1049 SD MET A 66 -7.810 -4.512 -3.128 1.00 0.00 S ATOM 1050 CE MET A 66 -8.185 -5.860 -4.247 1.00 0.00 C ATOM 0 H MET A 66 -7.968 -1.694 -6.725 1.00 0.00 H new ATOM 0 HA MET A 66 -9.215 -2.470 -4.154 1.00 0.00 H new ATOM 0 HB2 MET A 66 -6.408 -1.519 -4.841 1.00 0.00 H new ATOM 0 HB3 MET A 66 -7.016 -1.628 -3.201 1.00 0.00 H new ATOM 0 HG2 MET A 66 -6.687 -3.927 -5.159 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.687 -3.601 -3.757 1.00 0.00 H new ATOM 0 HE1 MET A 66 -8.311 -6.781 -3.678 1.00 0.00 H new ATOM 0 HE2 MET A 66 -9.105 -5.639 -4.787 1.00 0.00 H new ATOM 0 HE3 MET A 66 -7.367 -5.981 -4.958 1.00 0.00 H new ATOM 1060 N ASP A 67 -9.838 0.112 -5.333 1.00 0.00 N ATOM 1061 CA ASP A 67 -10.314 1.487 -5.230 1.00 0.00 C ATOM 1062 C ASP A 67 -11.776 1.533 -4.788 1.00 0.00 C ATOM 1063 O ASP A 67 -12.446 2.554 -4.940 1.00 0.00 O ATOM 1064 CB ASP A 67 -10.152 2.207 -6.570 1.00 0.00 C ATOM 1065 CG ASP A 67 -10.735 1.415 -7.724 1.00 0.00 C ATOM 1066 OD1 ASP A 67 -10.249 0.294 -7.981 1.00 0.00 O ATOM 1067 OD2 ASP A 67 -11.679 1.917 -8.372 1.00 0.00 O ATOM 0 H ASP A 67 -10.254 -0.422 -6.096 1.00 0.00 H new ATOM 0 HA ASP A 67 -9.712 1.994 -4.476 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.639 3.181 -6.518 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.094 2.390 -6.756 1.00 0.00 H new ATOM 1072 N ASN A 68 -12.265 0.421 -4.242 1.00 0.00 N ATOM 1073 CA ASN A 68 -13.647 0.340 -3.781 1.00 0.00 C ATOM 1074 C ASN A 68 -13.937 -1.031 -3.177 1.00 0.00 C ATOM 1075 O ASN A 68 -15.024 -1.580 -3.354 1.00 0.00 O ATOM 1076 CB ASN A 68 -14.611 0.614 -4.937 1.00 0.00 C ATOM 1077 CG ASN A 68 -14.458 -0.387 -6.065 1.00 0.00 C ATOM 1078 OD1 ASN A 68 -13.498 -0.142 -6.949 1.00 0.00 O flip ATOM 1079 ND2 ASN A 68 -15.195 -1.370 -6.143 1.00 0.00 N flip ATOM 0 H ASN A 68 -11.725 -0.434 -4.109 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.792 1.097 -3.010 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -15.636 0.586 -4.567 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.438 1.619 -5.321 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -15.920 -1.520 -5.442 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -15.080 -2.034 -6.909 1.00 0.00 H new ATOM 1086 N VAL A 69 -12.958 -1.579 -2.463 1.00 0.00 N ATOM 1087 CA VAL A 69 -13.112 -2.886 -1.835 1.00 0.00 C ATOM 1088 C VAL A 69 -12.643 -2.857 -0.385 1.00 0.00 C ATOM 1089 O VAL A 69 -11.795 -2.046 -0.013 1.00 0.00 O ATOM 1090 CB VAL A 69 -12.326 -3.977 -2.591 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -12.808 -5.361 -2.185 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -12.446 -3.783 -4.096 1.00 0.00 C ATOM 0 H VAL A 69 -12.051 -1.139 -2.305 1.00 0.00 H new ATOM 0 HA VAL A 69 -14.175 -3.126 -1.870 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.273 -3.889 -2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.242 -6.117 -2.729 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -12.661 -5.498 -1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -13.867 -5.461 -2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -11.884 -4.563 -4.609 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -13.495 -3.839 -4.388 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.045 -2.807 -4.370 1.00 0.00 H new ATOM 1102 N GLU A 70 -13.197 -3.751 0.427 1.00 0.00 N ATOM 1103 CA GLU A 70 -12.833 -3.830 1.836 1.00 0.00 C ATOM 1104 C GLU A 70 -11.553 -4.639 2.017 1.00 0.00 C ATOM 1105 O GLU A 70 -11.274 -5.558 1.246 1.00 0.00 O ATOM 1106 CB GLU A 70 -13.969 -4.460 2.645 1.00 0.00 C ATOM 1107 CG GLU A 70 -13.688 -4.532 4.137 1.00 0.00 C ATOM 1108 CD GLU A 70 -14.890 -4.149 4.977 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -15.824 -4.972 5.087 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -14.899 -3.026 5.525 1.00 0.00 O ATOM 0 H GLU A 70 -13.899 -4.430 0.133 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.659 -2.818 2.200 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -14.881 -3.885 2.483 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.156 -5.466 2.270 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.377 -5.544 4.396 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.856 -3.871 4.378 1.00 0.00 H new ATOM 1117 N HIS A 71 -10.776 -4.292 3.040 1.00 0.00 N ATOM 1118 CA HIS A 71 -9.523 -4.989 3.319 1.00 0.00 C ATOM 1119 C HIS A 71 -9.742 -6.499 3.393 1.00 0.00 C ATOM 1120 O HIS A 71 -8.908 -7.280 2.932 1.00 0.00 O ATOM 1121 CB HIS A 71 -8.905 -4.481 4.623 1.00 0.00 C ATOM 1122 CG HIS A 71 -9.708 -4.812 5.843 1.00 0.00 C ATOM 1123 ND1 HIS A 71 -10.419 -3.870 6.555 1.00 0.00 N ATOM 1124 CD2 HIS A 71 -9.910 -5.991 6.478 1.00 0.00 C ATOM 1125 CE1 HIS A 71 -11.022 -4.454 7.577 1.00 0.00 C ATOM 1126 NE2 HIS A 71 -10.729 -5.741 7.552 1.00 0.00 N ATOM 0 H HIS A 71 -10.991 -3.534 3.688 1.00 0.00 H new ATOM 0 HA HIS A 71 -8.834 -4.782 2.500 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -7.907 -4.906 4.730 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -8.786 -3.399 4.560 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -10.472 -2.877 6.329 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -9.503 -6.950 6.193 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -11.647 -3.962 8.307 1.00 0.00 H new ATOM 1135 N ALA A 72 -10.868 -6.901 3.973 1.00 0.00 N ATOM 1136 CA ALA A 72 -11.197 -8.315 4.104 1.00 0.00 C ATOM 1137 C ALA A 72 -11.406 -8.955 2.737 1.00 0.00 C ATOM 1138 O ALA A 72 -10.974 -10.083 2.493 1.00 0.00 O ATOM 1139 CB ALA A 72 -12.438 -8.490 4.966 1.00 0.00 C ATOM 0 H ALA A 72 -11.568 -6.267 4.360 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.359 -8.816 4.588 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.672 -9.551 5.055 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -12.254 -8.074 5.957 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -13.278 -7.971 4.504 1.00 0.00 H new ATOM 1145 N PHE A 73 -12.070 -8.225 1.845 1.00 0.00 N ATOM 1146 CA PHE A 73 -12.336 -8.718 0.500 1.00 0.00 C ATOM 1147 C PHE A 73 -11.042 -8.838 -0.299 1.00 0.00 C ATOM 1148 O PHE A 73 -10.880 -9.755 -1.105 1.00 0.00 O ATOM 1149 CB PHE A 73 -13.312 -7.789 -0.222 1.00 0.00 C ATOM 1150 CG PHE A 73 -14.755 -8.145 -0.002 1.00 0.00 C ATOM 1151 CD1 PHE A 73 -15.182 -9.458 -0.109 1.00 0.00 C ATOM 1152 CD2 PHE A 73 -15.683 -7.165 0.312 1.00 0.00 C ATOM 1153 CE1 PHE A 73 -16.509 -9.788 0.093 1.00 0.00 C ATOM 1154 CE2 PHE A 73 -17.011 -7.489 0.516 1.00 0.00 C ATOM 1155 CZ PHE A 73 -17.424 -8.803 0.406 1.00 0.00 C ATOM 0 H PHE A 73 -12.433 -7.290 2.031 1.00 0.00 H new ATOM 0 HA PHE A 73 -12.784 -9.708 0.583 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -13.143 -6.766 0.114 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -13.100 -7.812 -1.291 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -14.470 -10.233 -0.353 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -15.365 -6.136 0.398 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -16.830 -10.816 0.006 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -17.725 -6.716 0.761 1.00 0.00 H new ATOM 0 HZ PHE A 73 -18.461 -9.059 0.565 1.00 0.00 H new ATOM 1165 N ALA A 74 -10.124 -7.905 -0.070 1.00 0.00 N ATOM 1166 CA ALA A 74 -8.845 -7.903 -0.768 1.00 0.00 C ATOM 1167 C ALA A 74 -7.928 -9.010 -0.252 1.00 0.00 C ATOM 1168 O ALA A 74 -7.302 -9.724 -1.036 1.00 0.00 O ATOM 1169 CB ALA A 74 -8.169 -6.548 -0.623 1.00 0.00 C ATOM 0 H ALA A 74 -10.243 -7.140 0.594 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.038 -8.093 -1.824 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.214 -6.560 -1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.809 -5.775 -1.049 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.999 -6.337 0.433 1.00 0.00 H new ATOM 1175 N VAL A 75 -7.851 -9.144 1.068 1.00 0.00 N ATOM 1176 CA VAL A 75 -7.005 -10.161 1.685 1.00 0.00 C ATOM 1177 C VAL A 75 -7.496 -11.568 1.354 1.00 0.00 C ATOM 1178 O VAL A 75 -6.700 -12.457 1.054 1.00 0.00 O ATOM 1179 CB VAL A 75 -6.947 -9.990 3.216 1.00 0.00 C ATOM 1180 CG1 VAL A 75 -8.328 -10.154 3.829 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -5.960 -10.975 3.830 1.00 0.00 C ATOM 0 H VAL A 75 -8.363 -8.562 1.731 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.004 -10.029 1.275 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.599 -8.980 3.434 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.263 -10.029 4.910 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.001 -9.402 3.417 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.712 -11.148 3.601 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.934 -10.838 4.911 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.273 -11.994 3.601 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.966 -10.799 3.418 1.00 0.00 H new ATOM 1191 N GLN A 76 -8.808 -11.768 1.415 1.00 0.00 N ATOM 1192 CA GLN A 76 -9.392 -13.072 1.120 1.00 0.00 C ATOM 1193 C GLN A 76 -9.075 -13.503 -0.309 1.00 0.00 C ATOM 1194 O GLN A 76 -8.973 -14.695 -0.599 1.00 0.00 O ATOM 1195 CB GLN A 76 -10.908 -13.038 1.334 1.00 0.00 C ATOM 1196 CG GLN A 76 -11.644 -12.159 0.338 1.00 0.00 C ATOM 1197 CD GLN A 76 -13.143 -12.381 0.359 1.00 0.00 C ATOM 1198 OE1 GLN A 76 -13.777 -12.316 1.412 1.00 0.00 O ATOM 1199 NE2 GLN A 76 -13.719 -12.646 -0.808 1.00 0.00 N ATOM 0 H GLN A 76 -9.485 -11.047 1.665 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.953 -13.800 1.803 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.299 -14.053 1.267 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.116 -12.682 2.343 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.433 -11.112 0.557 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -11.265 -12.357 -0.665 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -13.155 -12.690 -1.657 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -14.725 -12.805 -0.856 1.00 0.00 H new ATOM 1208 N GLN A 77 -8.924 -12.526 -1.198 1.00 0.00 N ATOM 1209 CA GLN A 77 -8.623 -12.806 -2.598 1.00 0.00 C ATOM 1210 C GLN A 77 -7.187 -13.294 -2.765 1.00 0.00 C ATOM 1211 O GLN A 77 -6.940 -14.317 -3.405 1.00 0.00 O ATOM 1212 CB GLN A 77 -8.852 -11.555 -3.448 1.00 0.00 C ATOM 1213 CG GLN A 77 -10.224 -11.505 -4.102 1.00 0.00 C ATOM 1214 CD GLN A 77 -10.346 -12.460 -5.273 1.00 0.00 C ATOM 1215 OE1 GLN A 77 -11.256 -13.288 -5.322 1.00 0.00 O ATOM 1216 NE2 GLN A 77 -9.426 -12.348 -6.225 1.00 0.00 N ATOM 0 H GLN A 77 -9.005 -11.534 -0.974 1.00 0.00 H new ATOM 0 HA GLN A 77 -9.293 -13.596 -2.935 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.725 -10.672 -2.821 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -8.087 -11.508 -4.223 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -10.985 -11.746 -3.360 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -10.423 -10.489 -4.444 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -8.690 -11.647 -6.143 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -9.456 -12.963 -7.038 1.00 0.00 H new ATOM 1225 N LEU A 78 -6.242 -12.558 -2.190 1.00 0.00 N ATOM 1226 CA LEU A 78 -4.831 -12.919 -2.280 1.00 0.00 C ATOM 1227 C LEU A 78 -4.543 -14.197 -1.499 1.00 0.00 C ATOM 1228 O LEU A 78 -3.652 -14.968 -1.857 1.00 0.00 O ATOM 1229 CB LEU A 78 -3.951 -11.778 -1.763 1.00 0.00 C ATOM 1230 CG LEU A 78 -4.244 -11.326 -0.331 1.00 0.00 C ATOM 1231 CD1 LEU A 78 -3.683 -12.324 0.673 1.00 0.00 C ATOM 1232 CD2 LEU A 78 -3.671 -9.938 -0.086 1.00 0.00 C ATOM 0 H LEU A 78 -6.427 -11.708 -1.657 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.597 -13.097 -3.330 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.908 -12.090 -1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.066 -10.922 -2.428 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.325 -11.281 -0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.902 -11.984 1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.141 -13.300 0.511 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.604 -12.404 0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.888 -9.630 0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.592 -9.958 -0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.123 -9.230 -0.781 1.00 0.00 H new ATOM 1244 N ARG A 79 -5.303 -14.418 -0.431 1.00 0.00 N ATOM 1245 CA ARG A 79 -5.128 -15.604 0.398 1.00 0.00 C ATOM 1246 C ARG A 79 -5.441 -16.872 -0.390 1.00 0.00 C ATOM 1247 O ARG A 79 -4.896 -17.939 -0.111 1.00 0.00 O ATOM 1248 CB ARG A 79 -6.023 -15.524 1.635 1.00 0.00 C ATOM 1249 CG ARG A 79 -5.866 -16.706 2.578 1.00 0.00 C ATOM 1250 CD ARG A 79 -6.022 -16.284 4.031 1.00 0.00 C ATOM 1251 NE ARG A 79 -6.012 -17.429 4.938 1.00 0.00 N ATOM 1252 CZ ARG A 79 -6.385 -17.368 6.214 1.00 0.00 C ATOM 1253 NH1 ARG A 79 -6.798 -16.220 6.737 1.00 0.00 N ATOM 1254 NH2 ARG A 79 -6.344 -18.456 6.970 1.00 0.00 N ATOM 0 H ARG A 79 -6.045 -13.791 -0.120 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.086 -15.644 0.714 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -5.798 -14.605 2.177 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -7.063 -15.460 1.317 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.609 -17.466 2.337 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -4.886 -17.161 2.433 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -5.215 -15.602 4.299 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -6.956 -15.735 4.151 1.00 0.00 H new ATOM 0 HE ARG A 79 -5.701 -18.329 4.572 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.831 -15.379 6.160 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.083 -16.179 7.716 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -6.026 -19.341 6.574 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -6.630 -18.409 7.948 1.00 0.00 H new ATOM 1268 N LYS A 80 -6.326 -16.747 -1.375 1.00 0.00 N ATOM 1269 CA LYS A 80 -6.714 -17.883 -2.203 1.00 0.00 C ATOM 1270 C LYS A 80 -5.555 -18.348 -3.082 1.00 0.00 C ATOM 1271 O LYS A 80 -5.532 -19.492 -3.537 1.00 0.00 O ATOM 1272 CB LYS A 80 -7.914 -17.515 -3.077 1.00 0.00 C ATOM 1273 CG LYS A 80 -8.754 -18.713 -3.492 1.00 0.00 C ATOM 1274 CD LYS A 80 -9.799 -18.329 -4.527 1.00 0.00 C ATOM 1275 CE LYS A 80 -10.321 -19.548 -5.269 1.00 0.00 C ATOM 1276 NZ LYS A 80 -9.491 -19.871 -6.462 1.00 0.00 N ATOM 0 H LYS A 80 -6.787 -15.871 -1.619 1.00 0.00 H new ATOM 0 HA LYS A 80 -6.990 -18.702 -1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.544 -16.810 -2.536 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -7.558 -17.004 -3.971 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.106 -19.490 -3.898 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.246 -19.135 -2.616 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -10.627 -17.818 -4.037 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -9.367 -17.626 -5.239 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -10.336 -20.404 -4.595 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.350 -19.370 -5.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.881 -20.709 -6.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.497 -19.064 -7.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.514 -20.066 -6.163 1.00 0.00 H new ATOM 1290 N SER A 81 -4.595 -17.456 -3.321 1.00 0.00 N ATOM 1291 CA SER A 81 -3.437 -17.781 -4.149 1.00 0.00 C ATOM 1292 C SER A 81 -2.777 -19.080 -3.689 1.00 0.00 C ATOM 1293 O SER A 81 -2.925 -20.122 -4.329 1.00 0.00 O ATOM 1294 CB SER A 81 -2.420 -16.639 -4.107 1.00 0.00 C ATOM 1295 OG SER A 81 -2.942 -15.470 -4.714 1.00 0.00 O ATOM 0 H SER A 81 -4.597 -16.505 -2.953 1.00 0.00 H new ATOM 0 HA SER A 81 -3.784 -17.917 -5.173 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.150 -16.426 -3.073 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.507 -16.942 -4.619 1.00 0.00 H new ATOM 0 HG SER A 81 -3.337 -14.893 -4.027 1.00 0.00 H new ATOM 1301 N GLY A 82 -2.049 -19.010 -2.580 1.00 0.00 N ATOM 1302 CA GLY A 82 -1.379 -20.186 -2.058 1.00 0.00 C ATOM 1303 C GLY A 82 0.070 -20.269 -2.496 1.00 0.00 C ATOM 1304 O GLY A 82 0.916 -20.789 -1.769 1.00 0.00 O ATOM 0 H GLY A 82 -1.911 -18.160 -2.033 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.426 -20.174 -0.969 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.908 -21.079 -2.390 1.00 0.00 H new ATOM 1308 N LYS A 83 0.356 -19.755 -3.688 1.00 0.00 N ATOM 1309 CA LYS A 83 1.711 -19.772 -4.225 1.00 0.00 C ATOM 1310 C LYS A 83 1.793 -18.965 -5.516 1.00 0.00 C ATOM 1311 O LYS A 83 2.539 -19.313 -6.431 1.00 0.00 O ATOM 1312 CB LYS A 83 2.166 -21.211 -4.478 1.00 0.00 C ATOM 1313 CG LYS A 83 3.672 -21.396 -4.392 1.00 0.00 C ATOM 1314 CD LYS A 83 4.097 -22.758 -4.917 1.00 0.00 C ATOM 1315 CE LYS A 83 4.695 -22.659 -6.311 1.00 0.00 C ATOM 1316 NZ LYS A 83 6.183 -22.733 -6.285 1.00 0.00 N ATOM 0 H LYS A 83 -0.334 -19.321 -4.301 1.00 0.00 H new ATOM 0 HA LYS A 83 2.373 -19.315 -3.489 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.685 -21.868 -3.753 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.826 -21.523 -5.465 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.169 -20.613 -4.965 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.994 -21.287 -3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.827 -23.199 -4.238 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.236 -23.426 -4.937 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.303 -23.464 -6.932 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.386 -21.721 -6.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.551 -22.662 -7.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.560 -21.950 -5.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.478 -23.639 -5.868 1.00 0.00 H new ATOM 1330 N ASN A 84 1.019 -17.887 -5.584 1.00 0.00 N ATOM 1331 CA ASN A 84 1.002 -17.028 -6.762 1.00 0.00 C ATOM 1332 C ASN A 84 0.052 -15.850 -6.563 1.00 0.00 C ATOM 1333 O ASN A 84 -0.957 -15.726 -7.258 1.00 0.00 O ATOM 1334 CB ASN A 84 0.588 -17.831 -7.998 1.00 0.00 C ATOM 1335 CG ASN A 84 -0.658 -18.660 -7.759 1.00 0.00 C ATOM 1336 OD1 ASN A 84 -0.581 -19.793 -7.285 1.00 0.00 O ATOM 1337 ND2 ASN A 84 -1.815 -18.097 -8.087 1.00 0.00 N ATOM 0 H ASN A 84 0.394 -17.587 -4.836 1.00 0.00 H new ATOM 0 HA ASN A 84 2.009 -16.637 -6.912 1.00 0.00 H new ATOM 0 HB2 ASN A 84 0.413 -17.148 -8.829 1.00 0.00 H new ATOM 0 HB3 ASN A 84 1.407 -18.488 -8.292 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -2.688 -18.607 -7.949 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -1.831 -17.155 -8.477 1.00 0.00 H new ATOM 1344 N ALA A 85 0.383 -14.987 -5.608 1.00 0.00 N ATOM 1345 CA ALA A 85 -0.438 -13.818 -5.317 1.00 0.00 C ATOM 1346 C ALA A 85 0.181 -12.557 -5.909 1.00 0.00 C ATOM 1347 O ALA A 85 1.207 -12.074 -5.431 1.00 0.00 O ATOM 1348 CB ALA A 85 -0.620 -13.663 -3.815 1.00 0.00 C ATOM 0 H ALA A 85 1.214 -15.075 -5.023 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.415 -13.964 -5.777 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.235 -12.786 -3.612 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.110 -14.551 -3.414 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.354 -13.541 -3.341 1.00 0.00 H new ATOM 1354 N LYS A 86 -0.446 -12.028 -6.956 1.00 0.00 N ATOM 1355 CA LYS A 86 0.050 -10.825 -7.613 1.00 0.00 C ATOM 1356 C LYS A 86 -0.619 -9.574 -7.047 1.00 0.00 C ATOM 1357 O LYS A 86 -1.827 -9.555 -6.811 1.00 0.00 O ATOM 1358 CB LYS A 86 -0.176 -10.911 -9.126 1.00 0.00 C ATOM 1359 CG LYS A 86 -1.577 -10.513 -9.567 1.00 0.00 C ATOM 1360 CD LYS A 86 -1.951 -11.159 -10.890 1.00 0.00 C ATOM 1361 CE LYS A 86 -3.282 -10.638 -11.409 1.00 0.00 C ATOM 1362 NZ LYS A 86 -3.928 -11.599 -12.345 1.00 0.00 N ATOM 0 H LYS A 86 -1.297 -12.413 -7.366 1.00 0.00 H new ATOM 0 HA LYS A 86 1.121 -10.753 -7.421 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.548 -10.269 -9.628 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.021 -11.931 -9.455 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.297 -10.805 -8.802 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.635 -9.429 -9.662 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.171 -10.963 -11.625 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.006 -12.240 -10.765 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.949 -10.446 -10.569 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.126 -9.686 -11.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.832 -11.207 -12.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.303 -11.763 -13.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.100 -12.499 -11.854 1.00 0.00 H new ATOM 1376 N ILE A 87 0.177 -8.533 -6.835 1.00 0.00 N ATOM 1377 CA ILE A 87 -0.331 -7.277 -6.301 1.00 0.00 C ATOM 1378 C ILE A 87 0.147 -6.093 -7.134 1.00 0.00 C ATOM 1379 O ILE A 87 1.338 -5.959 -7.413 1.00 0.00 O ATOM 1380 CB ILE A 87 0.104 -7.070 -4.838 1.00 0.00 C ATOM 1381 CG1 ILE A 87 -0.196 -8.322 -4.012 1.00 0.00 C ATOM 1382 CG2 ILE A 87 -0.593 -5.856 -4.243 1.00 0.00 C ATOM 1383 CD1 ILE A 87 0.990 -9.251 -3.870 1.00 0.00 C ATOM 0 H ILE A 87 1.179 -8.535 -7.025 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.419 -7.333 -6.343 1.00 0.00 H new ATOM 0 HB ILE A 87 1.179 -6.892 -4.817 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.532 -8.021 -3.020 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.019 -8.865 -4.476 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.274 -5.724 -3.209 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.332 -4.968 -4.819 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.672 -6.005 -4.274 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.704 -10.117 -3.273 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.313 -9.582 -4.857 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.808 -8.724 -3.378 1.00 0.00 H new ATOM 1395 N THR A 88 -0.788 -5.233 -7.526 1.00 0.00 N ATOM 1396 CA THR A 88 -0.457 -4.058 -8.324 1.00 0.00 C ATOM 1397 C THR A 88 -0.345 -2.822 -7.438 1.00 0.00 C ATOM 1398 O THR A 88 -1.229 -2.548 -6.626 1.00 0.00 O ATOM 1399 CB THR A 88 -1.512 -3.832 -9.407 1.00 0.00 C ATOM 1400 OG1 THR A 88 -2.206 -5.035 -9.689 1.00 0.00 O ATOM 1401 CG2 THR A 88 -0.932 -3.320 -10.707 1.00 0.00 C ATOM 0 H THR A 88 -1.779 -5.328 -7.304 1.00 0.00 H new ATOM 0 HA THR A 88 0.506 -4.232 -8.803 1.00 0.00 H new ATOM 0 HB THR A 88 -2.184 -3.074 -9.004 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.608 -4.979 -10.581 1.00 0.00 H new ATOM 0 HG21 THR A 88 -1.733 -3.181 -11.433 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.431 -2.368 -10.532 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.213 -4.042 -11.094 1.00 0.00 H new ATOM 1409 N ILE A 89 0.748 -2.082 -7.594 1.00 0.00 N ATOM 1410 CA ILE A 89 0.969 -0.879 -6.797 1.00 0.00 C ATOM 1411 C ILE A 89 1.641 0.216 -7.616 1.00 0.00 C ATOM 1412 O ILE A 89 2.150 -0.034 -8.708 1.00 0.00 O ATOM 1413 CB ILE A 89 1.839 -1.179 -5.561 1.00 0.00 C ATOM 1414 CG1 ILE A 89 3.107 -1.931 -5.971 1.00 0.00 C ATOM 1415 CG2 ILE A 89 1.050 -1.982 -4.537 1.00 0.00 C ATOM 1416 CD1 ILE A 89 4.151 -1.047 -6.621 1.00 0.00 C ATOM 0 H ILE A 89 1.491 -2.292 -8.261 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.013 -0.534 -6.474 1.00 0.00 H new ATOM 0 HB ILE A 89 2.131 -0.233 -5.105 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.540 -2.404 -5.090 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.838 -2.730 -6.662 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.679 -2.185 -3.671 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.175 -1.413 -4.224 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.730 -2.924 -4.982 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.022 -1.647 -6.885 1.00 0.00 H new ATOM 0 HD12 ILE A 89 3.735 -0.595 -7.521 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.448 -0.263 -5.925 1.00 0.00 H new ATOM 1428 N ARG A 90 1.643 1.432 -7.076 1.00 0.00 N ATOM 1429 CA ARG A 90 2.259 2.565 -7.755 1.00 0.00 C ATOM 1430 C ARG A 90 3.206 3.317 -6.828 1.00 0.00 C ATOM 1431 O ARG A 90 2.923 3.495 -5.642 1.00 0.00 O ATOM 1432 CB ARG A 90 1.191 3.519 -8.293 1.00 0.00 C ATOM 1433 CG ARG A 90 0.052 2.818 -9.012 1.00 0.00 C ATOM 1434 CD ARG A 90 -1.173 2.666 -8.124 1.00 0.00 C ATOM 1435 NE ARG A 90 -2.191 3.674 -8.416 1.00 0.00 N ATOM 1436 CZ ARG A 90 -2.331 4.817 -7.744 1.00 0.00 C ATOM 1437 NH1 ARG A 90 -1.521 5.113 -6.736 1.00 0.00 N ATOM 1438 NH2 ARG A 90 -3.288 5.668 -8.086 1.00 0.00 N ATOM 0 H ARG A 90 1.226 1.656 -6.173 1.00 0.00 H new ATOM 0 HA ARG A 90 2.837 2.172 -8.591 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.784 4.099 -7.465 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.660 4.226 -8.977 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.215 3.383 -9.905 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.384 1.834 -9.344 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.598 1.672 -8.260 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -0.875 2.745 -7.079 1.00 0.00 H new ATOM 0 HE ARG A 90 -2.836 3.491 -9.184 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.782 4.463 -6.468 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.637 5.990 -6.229 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.914 5.447 -8.861 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.399 6.544 -7.575 1.00 0.00 H new ATOM 1452 N ARG A 91 4.334 3.758 -7.379 1.00 0.00 N ATOM 1453 CA ARG A 91 5.331 4.496 -6.609 1.00 0.00 C ATOM 1454 C ARG A 91 6.052 5.513 -7.491 1.00 0.00 C ATOM 1455 O ARG A 91 6.359 5.236 -8.650 1.00 0.00 O ATOM 1456 CB ARG A 91 6.358 3.542 -5.978 1.00 0.00 C ATOM 1457 CG ARG A 91 6.007 2.065 -6.098 1.00 0.00 C ATOM 1458 CD ARG A 91 6.263 1.539 -7.502 1.00 0.00 C ATOM 1459 NE ARG A 91 7.551 1.984 -8.030 1.00 0.00 N ATOM 1460 CZ ARG A 91 8.717 1.428 -7.704 1.00 0.00 C ATOM 1461 NH1 ARG A 91 8.760 0.411 -6.854 1.00 0.00 N ATOM 1462 NH2 ARG A 91 9.842 1.891 -8.232 1.00 0.00 N ATOM 0 H ARG A 91 4.581 3.616 -8.359 1.00 0.00 H new ATOM 0 HA ARG A 91 4.806 5.024 -5.812 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.327 3.711 -6.447 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.466 3.792 -4.923 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.595 1.492 -5.382 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.958 1.918 -5.840 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.233 0.449 -7.491 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.465 1.873 -8.165 1.00 0.00 H new ATOM 0 HE ARG A 91 7.558 2.765 -8.686 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.897 0.050 -6.446 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.656 -0.011 -6.608 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.814 2.672 -8.887 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.735 1.466 -7.983 1.00 0.00 H new