USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=14 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 60 MET CE :methyl 148:sc= -0.828 (180deg=-2.03!) USER MOD Set 1.2: A 88 THR OG1 : rot -153:sc= -2.09! USER MOD Set 2.1: A 53 GLN : amide:sc= 0.039 X(o=-1.1,f=-1.1) USER MOD Set 2.2: A 55 ASN : amide:sc= -1.12 K(o=-1.1,f=-2.3!) USER MOD Single : A 4 GLN : amide:sc= -0.295 K(o=-0.3,f=-5.6!) USER MOD Single : A 5 HIS : no HE2:sc= -2.32 X(o=-2.3,f=-2.6!) USER MOD Single : A 6 THR OG1 : rot 180:sc= -2.17! USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0354 USER MOD Single : A 10 HIS : no HD1:sc= 0.0704 K(o=0.07,f=-1.1) USER MOD Single : A 22 SER OG : rot -170:sc= 0 USER MOD Single : A 36 SER OG : rot -33:sc= 0.0606 USER MOD Single : A 40 SER OG : rot 180:sc= 0.0758 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc=-0.00372 X(o=-0.0037,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.219 K(o=-0.22,f=-2.2!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -106:sc= -6.44! (180deg=-12.8!) USER MOD Single : A 68 ASN : amide:sc= -0.143 X(o=-0.14,f=-0.62) USER MOD Single : A 71 HIS : no HD1:sc= -2.27 K(o=-2.3,f=-1.6) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= -2.46 K(o=-2.5,f=-3.6!) USER MOD Single : A 80 LYS NZ :NH3+ -133:sc= -0.493 (180deg=-2.19!) USER MOD Single : A 81 SER OG : rot -116:sc= -0.0407 USER MOD Single : A 83 LYS NZ :NH3+ 152:sc= 0.00403 (180deg=-0.138) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 86 LYS NZ :NH3+ -112:sc= -0.106 (180deg=-1.85) USER MOD ----------------------------------------------------------------- ATOM 134 N GLU A 3 3.130 5.756 -11.942 1.00 0.00 N ATOM 135 CA GLU A 3 2.788 4.694 -12.882 1.00 0.00 C ATOM 136 C GLU A 3 2.337 3.444 -12.137 1.00 0.00 C ATOM 137 O GLU A 3 2.714 3.232 -10.989 1.00 0.00 O ATOM 138 CB GLU A 3 3.986 4.365 -13.774 1.00 0.00 C ATOM 139 CG GLU A 3 3.610 3.618 -15.043 1.00 0.00 C ATOM 140 CD GLU A 3 4.282 4.189 -16.278 1.00 0.00 C ATOM 141 OE1 GLU A 3 4.548 5.410 -16.297 1.00 0.00 O ATOM 142 OE2 GLU A 3 4.539 3.417 -17.224 1.00 0.00 O ATOM 0 HA GLU A 3 1.967 5.044 -13.508 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.493 5.291 -14.044 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.698 3.766 -13.206 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.885 2.568 -14.937 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.528 3.653 -15.174 1.00 0.00 H new ATOM 149 N GLN A 4 1.523 2.626 -12.796 1.00 0.00 N ATOM 150 CA GLN A 4 1.008 1.401 -12.194 1.00 0.00 C ATOM 151 C GLN A 4 1.688 0.169 -12.779 1.00 0.00 C ATOM 152 O GLN A 4 1.739 -0.012 -13.996 1.00 0.00 O ATOM 153 CB GLN A 4 -0.506 1.314 -12.414 1.00 0.00 C ATOM 154 CG GLN A 4 -1.195 0.249 -11.575 1.00 0.00 C ATOM 155 CD GLN A 4 -2.706 0.301 -11.702 1.00 0.00 C ATOM 156 OE1 GLN A 4 -3.269 1.314 -12.118 1.00 0.00 O ATOM 157 NE2 GLN A 4 -3.371 -0.790 -11.344 1.00 0.00 N ATOM 0 H GLN A 4 1.205 2.790 -13.751 1.00 0.00 H new ATOM 0 HA GLN A 4 1.223 1.430 -11.126 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -0.951 2.283 -12.189 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.698 1.112 -13.468 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -0.841 -0.736 -11.880 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -0.916 0.378 -10.529 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -2.864 -1.608 -11.005 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -4.389 -0.811 -11.408 1.00 0.00 H new ATOM 166 N HIS A 5 2.213 -0.674 -11.894 1.00 0.00 N ATOM 167 CA HIS A 5 2.900 -1.893 -12.300 1.00 0.00 C ATOM 168 C HIS A 5 2.396 -3.093 -11.505 1.00 0.00 C ATOM 169 O HIS A 5 2.169 -3.001 -10.297 1.00 0.00 O ATOM 170 CB HIS A 5 4.410 -1.741 -12.112 1.00 0.00 C ATOM 171 CG HIS A 5 5.012 -0.656 -12.949 1.00 0.00 C ATOM 172 ND1 HIS A 5 6.021 -0.881 -13.862 1.00 0.00 N ATOM 173 CD2 HIS A 5 4.742 0.670 -13.011 1.00 0.00 C ATOM 174 CE1 HIS A 5 6.345 0.258 -14.447 1.00 0.00 C ATOM 175 NE2 HIS A 5 5.583 1.213 -13.949 1.00 0.00 N ATOM 0 H HIS A 5 2.174 -0.532 -10.885 1.00 0.00 H new ATOM 0 HA HIS A 5 2.688 -2.064 -13.355 1.00 0.00 H new ATOM 0 HB2 HIS A 5 4.618 -1.536 -11.062 1.00 0.00 H new ATOM 0 HB3 HIS A 5 4.895 -2.687 -12.354 1.00 0.00 H new ATOM 0 HD1 HIS A 5 6.450 -1.786 -14.055 1.00 0.00 H new ATOM 0 HD2 HIS A 5 4.002 1.201 -12.430 1.00 0.00 H new ATOM 0 HE1 HIS A 5 7.104 0.386 -15.204 1.00 0.00 H new ATOM 184 N THR A 6 2.222 -4.219 -12.192 1.00 0.00 N ATOM 185 CA THR A 6 1.744 -5.439 -11.553 1.00 0.00 C ATOM 186 C THR A 6 2.888 -6.429 -11.351 1.00 0.00 C ATOM 187 O THR A 6 3.582 -6.793 -12.300 1.00 0.00 O ATOM 188 CB THR A 6 0.640 -6.084 -12.393 1.00 0.00 C ATOM 189 OG1 THR A 6 0.094 -5.149 -13.307 1.00 0.00 O ATOM 190 CG2 THR A 6 -0.499 -6.634 -11.563 1.00 0.00 C ATOM 0 H THR A 6 2.405 -4.311 -13.191 1.00 0.00 H new ATOM 0 HA THR A 6 1.338 -5.173 -10.577 1.00 0.00 H new ATOM 0 HB THR A 6 1.120 -6.912 -12.915 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.609 -5.581 -13.836 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.247 -7.077 -12.220 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.118 -7.395 -10.882 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.953 -5.827 -10.988 1.00 0.00 H new ATOM 198 N VAL A 7 3.077 -6.861 -10.108 1.00 0.00 N ATOM 199 CA VAL A 7 4.136 -7.809 -9.780 1.00 0.00 C ATOM 200 C VAL A 7 3.562 -9.071 -9.146 1.00 0.00 C ATOM 201 O VAL A 7 2.610 -9.009 -8.369 1.00 0.00 O ATOM 202 CB VAL A 7 5.167 -7.188 -8.820 1.00 0.00 C ATOM 203 CG1 VAL A 7 6.361 -8.114 -8.645 1.00 0.00 C ATOM 204 CG2 VAL A 7 5.611 -5.824 -9.325 1.00 0.00 C ATOM 0 H VAL A 7 2.511 -6.570 -9.311 1.00 0.00 H new ATOM 0 HA VAL A 7 4.633 -8.068 -10.715 1.00 0.00 H new ATOM 0 HB VAL A 7 4.695 -7.055 -7.846 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.079 -7.658 -7.963 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.026 -9.067 -8.235 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.836 -8.282 -9.612 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.340 -5.400 -8.634 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.065 -5.931 -10.310 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.747 -5.162 -9.393 1.00 0.00 H new ATOM 214 N THR A 8 4.146 -10.217 -9.485 1.00 0.00 N ATOM 215 CA THR A 8 3.690 -11.495 -8.950 1.00 0.00 C ATOM 216 C THR A 8 4.576 -11.954 -7.797 1.00 0.00 C ATOM 217 O THR A 8 5.763 -12.221 -7.980 1.00 0.00 O ATOM 218 CB THR A 8 3.679 -12.556 -10.051 1.00 0.00 C ATOM 219 OG1 THR A 8 4.722 -12.327 -10.982 1.00 0.00 O ATOM 220 CG2 THR A 8 2.376 -12.606 -10.822 1.00 0.00 C ATOM 0 H THR A 8 4.935 -10.286 -10.127 1.00 0.00 H new ATOM 0 HA THR A 8 2.677 -11.359 -8.572 1.00 0.00 H new ATOM 0 HB THR A 8 3.814 -13.507 -9.535 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.698 -13.018 -11.677 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.436 -13.380 -11.588 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.558 -12.834 -10.139 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.196 -11.641 -11.295 1.00 0.00 H new ATOM 228 N LEU A 9 3.990 -12.046 -6.608 1.00 0.00 N ATOM 229 CA LEU A 9 4.725 -12.476 -5.423 1.00 0.00 C ATOM 230 C LEU A 9 4.339 -13.898 -5.029 1.00 0.00 C ATOM 231 O LEU A 9 3.195 -14.162 -4.659 1.00 0.00 O ATOM 232 CB LEU A 9 4.459 -11.522 -4.256 1.00 0.00 C ATOM 233 CG LEU A 9 4.425 -10.038 -4.624 1.00 0.00 C ATOM 234 CD1 LEU A 9 3.536 -9.269 -3.660 1.00 0.00 C ATOM 235 CD2 LEU A 9 5.831 -9.460 -4.634 1.00 0.00 C ATOM 0 H LEU A 9 3.008 -11.829 -6.439 1.00 0.00 H new ATOM 0 HA LEU A 9 5.788 -12.460 -5.661 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.506 -11.789 -3.799 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.229 -11.675 -3.500 1.00 0.00 H new ATOM 0 HG LEU A 9 4.007 -9.941 -5.626 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.524 -8.215 -3.938 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.522 -9.667 -3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.923 -9.373 -2.646 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.788 -8.403 -4.898 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.276 -9.569 -3.645 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.438 -9.992 -5.366 1.00 0.00 H new ATOM 247 N HIS A 10 5.302 -14.811 -5.109 1.00 0.00 N ATOM 248 CA HIS A 10 5.062 -16.207 -4.758 1.00 0.00 C ATOM 249 C HIS A 10 4.950 -16.372 -3.245 1.00 0.00 C ATOM 250 O HIS A 10 5.866 -16.019 -2.503 1.00 0.00 O ATOM 251 CB HIS A 10 6.189 -17.090 -5.295 1.00 0.00 C ATOM 252 CG HIS A 10 6.484 -16.867 -6.746 1.00 0.00 C ATOM 253 ND1 HIS A 10 7.237 -15.808 -7.207 1.00 0.00 N ATOM 254 CD2 HIS A 10 6.123 -17.575 -7.843 1.00 0.00 C ATOM 255 CE1 HIS A 10 7.325 -15.873 -8.525 1.00 0.00 C ATOM 256 NE2 HIS A 10 6.658 -16.937 -8.934 1.00 0.00 N ATOM 0 H HIS A 10 6.255 -14.610 -5.413 1.00 0.00 H new ATOM 0 HA HIS A 10 4.120 -16.515 -5.212 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.093 -16.903 -4.716 1.00 0.00 H new ATOM 0 HB3 HIS A 10 5.924 -18.136 -5.143 1.00 0.00 H new ATOM 0 HD2 HIS A 10 5.525 -18.474 -7.857 1.00 0.00 H new ATOM 0 HE1 HIS A 10 7.852 -15.175 -9.159 1.00 0.00 H new ATOM 0 HE2 HIS A 10 6.557 -17.236 -9.904 1.00 0.00 H new ATOM 265 N ARG A 11 3.821 -16.910 -2.794 1.00 0.00 N ATOM 266 CA ARG A 11 3.591 -17.118 -1.369 1.00 0.00 C ATOM 267 C ARG A 11 4.594 -18.114 -0.796 1.00 0.00 C ATOM 268 O ARG A 11 4.985 -19.071 -1.464 1.00 0.00 O ATOM 269 CB ARG A 11 2.164 -17.616 -1.129 1.00 0.00 C ATOM 270 CG ARG A 11 1.115 -16.519 -1.207 1.00 0.00 C ATOM 271 CD ARG A 11 -0.130 -16.876 -0.412 1.00 0.00 C ATOM 272 NE ARG A 11 -0.238 -16.096 0.818 1.00 0.00 N ATOM 273 CZ ARG A 11 -1.007 -16.439 1.848 1.00 0.00 C ATOM 274 NH1 ARG A 11 -1.736 -17.548 1.803 1.00 0.00 N ATOM 275 NH2 ARG A 11 -1.049 -15.672 2.929 1.00 0.00 N ATOM 0 H ARG A 11 3.052 -17.209 -3.394 1.00 0.00 H new ATOM 0 HA ARG A 11 3.725 -16.163 -0.861 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.928 -18.385 -1.864 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.113 -18.087 -0.147 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.534 -15.587 -0.828 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.845 -16.347 -2.249 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.014 -16.706 -1.027 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.111 -17.938 -0.167 1.00 0.00 H new ATOM 0 HE ARG A 11 0.308 -15.238 0.892 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.709 -18.143 0.975 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.323 -17.805 2.596 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.492 -14.819 2.971 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.639 -15.935 3.719 1.00 0.00 H new ATOM 289 N ALA A 12 5.007 -17.881 0.446 1.00 0.00 N ATOM 290 CA ALA A 12 5.964 -18.757 1.111 1.00 0.00 C ATOM 291 C ALA A 12 5.367 -19.361 2.380 1.00 0.00 C ATOM 292 O ALA A 12 4.621 -18.697 3.098 1.00 0.00 O ATOM 293 CB ALA A 12 7.239 -17.993 1.439 1.00 0.00 C ATOM 0 H ALA A 12 4.693 -17.092 1.012 1.00 0.00 H new ATOM 0 HA ALA A 12 6.206 -19.573 0.430 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.945 -18.659 1.935 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.683 -17.614 0.519 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.003 -17.158 2.098 1.00 0.00 H new ATOM 299 N PRO A 13 5.689 -20.633 2.676 1.00 0.00 N ATOM 300 CA PRO A 13 5.176 -21.318 3.867 1.00 0.00 C ATOM 301 C PRO A 13 5.481 -20.553 5.150 1.00 0.00 C ATOM 302 O PRO A 13 6.518 -19.899 5.264 1.00 0.00 O ATOM 303 CB PRO A 13 5.916 -22.659 3.860 1.00 0.00 C ATOM 304 CG PRO A 13 6.311 -22.871 2.441 1.00 0.00 C ATOM 305 CD PRO A 13 6.572 -21.503 1.877 1.00 0.00 C ATOM 0 HA PRO A 13 4.091 -21.416 3.841 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.788 -22.632 4.513 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.275 -23.466 4.217 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.200 -23.498 2.373 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.521 -23.378 1.887 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.619 -21.218 1.981 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.332 -21.453 0.815 1.00 0.00 H new ATOM 313 N GLY A 14 4.572 -20.640 6.115 1.00 0.00 N ATOM 314 CA GLY A 14 4.763 -19.952 7.378 1.00 0.00 C ATOM 315 C GLY A 14 4.270 -18.520 7.342 1.00 0.00 C ATOM 316 O GLY A 14 3.370 -18.147 8.094 1.00 0.00 O ATOM 0 H GLY A 14 3.706 -21.175 6.045 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.238 -20.493 8.165 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.822 -19.961 7.636 1.00 0.00 H new ATOM 320 N PHE A 15 4.862 -17.712 6.467 1.00 0.00 N ATOM 321 CA PHE A 15 4.478 -16.312 6.338 1.00 0.00 C ATOM 322 C PHE A 15 3.261 -16.162 5.431 1.00 0.00 C ATOM 323 O PHE A 15 2.167 -15.834 5.891 1.00 0.00 O ATOM 324 CB PHE A 15 5.644 -15.488 5.791 1.00 0.00 C ATOM 325 CG PHE A 15 6.888 -15.577 6.629 1.00 0.00 C ATOM 326 CD1 PHE A 15 6.825 -15.397 8.002 1.00 0.00 C ATOM 327 CD2 PHE A 15 8.116 -15.839 6.046 1.00 0.00 C ATOM 328 CE1 PHE A 15 7.967 -15.478 8.777 1.00 0.00 C ATOM 329 CE2 PHE A 15 9.261 -15.921 6.815 1.00 0.00 C ATOM 330 CZ PHE A 15 9.187 -15.741 8.183 1.00 0.00 C ATOM 0 H PHE A 15 5.609 -18.004 5.837 1.00 0.00 H new ATOM 0 HA PHE A 15 4.216 -15.941 7.329 1.00 0.00 H new ATOM 0 HB2 PHE A 15 5.872 -15.824 4.779 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.338 -14.444 5.719 1.00 0.00 H new ATOM 0 HD1 PHE A 15 5.874 -15.191 8.471 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.180 -15.981 4.977 1.00 0.00 H new ATOM 0 HE1 PHE A 15 7.906 -15.336 9.846 1.00 0.00 H new ATOM 0 HE2 PHE A 15 10.213 -16.126 6.347 1.00 0.00 H new ATOM 0 HZ PHE A 15 10.080 -15.806 8.787 1.00 0.00 H new ATOM 340 N GLY A 16 3.459 -16.402 4.139 1.00 0.00 N ATOM 341 CA GLY A 16 2.370 -16.285 3.187 1.00 0.00 C ATOM 342 C GLY A 16 2.659 -15.273 2.097 1.00 0.00 C ATOM 343 O GLY A 16 3.502 -15.506 1.232 1.00 0.00 O ATOM 0 H GLY A 16 4.354 -16.675 3.734 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.181 -17.258 2.734 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.460 -15.997 3.714 1.00 0.00 H new ATOM 347 N PHE A 17 1.959 -14.144 2.140 1.00 0.00 N ATOM 348 CA PHE A 17 2.150 -13.089 1.145 1.00 0.00 C ATOM 349 C PHE A 17 3.374 -12.240 1.479 1.00 0.00 C ATOM 350 O PHE A 17 4.007 -11.672 0.589 1.00 0.00 O ATOM 351 CB PHE A 17 0.904 -12.196 1.032 1.00 0.00 C ATOM 352 CG PHE A 17 0.063 -12.142 2.278 1.00 0.00 C ATOM 353 CD1 PHE A 17 0.601 -11.702 3.476 1.00 0.00 C ATOM 354 CD2 PHE A 17 -1.267 -12.533 2.248 1.00 0.00 C ATOM 355 CE1 PHE A 17 -0.170 -11.654 4.621 1.00 0.00 C ATOM 356 CE2 PHE A 17 -2.043 -12.487 3.390 1.00 0.00 C ATOM 357 CZ PHE A 17 -1.494 -12.046 4.579 1.00 0.00 C ATOM 0 H PHE A 17 1.257 -13.934 2.849 1.00 0.00 H new ATOM 0 HA PHE A 17 2.313 -13.574 0.182 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.219 -11.184 0.777 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.288 -12.555 0.208 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.635 -11.393 3.515 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.701 -12.877 1.321 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.262 -11.310 5.549 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.077 -12.795 3.354 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.098 -12.008 5.473 1.00 0.00 H new ATOM 367 N GLY A 18 3.708 -12.163 2.764 1.00 0.00 N ATOM 368 CA GLY A 18 4.860 -11.386 3.185 1.00 0.00 C ATOM 369 C GLY A 18 4.512 -9.954 3.545 1.00 0.00 C ATOM 370 O GLY A 18 5.265 -9.289 4.257 1.00 0.00 O ATOM 0 H GLY A 18 3.202 -12.624 3.520 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.322 -11.869 4.046 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.601 -11.384 2.386 1.00 0.00 H new ATOM 374 N ILE A 19 3.374 -9.473 3.054 1.00 0.00 N ATOM 375 CA ILE A 19 2.942 -8.107 3.333 1.00 0.00 C ATOM 376 C ILE A 19 1.604 -8.086 4.065 1.00 0.00 C ATOM 377 O ILE A 19 0.957 -9.120 4.228 1.00 0.00 O ATOM 378 CB ILE A 19 2.815 -7.284 2.037 1.00 0.00 C ATOM 379 CG1 ILE A 19 1.980 -8.044 1.003 1.00 0.00 C ATOM 380 CG2 ILE A 19 4.193 -6.955 1.480 1.00 0.00 C ATOM 381 CD1 ILE A 19 0.855 -7.221 0.411 1.00 0.00 C ATOM 0 H ILE A 19 2.736 -10.006 2.463 1.00 0.00 H new ATOM 0 HA ILE A 19 3.706 -7.660 3.969 1.00 0.00 H new ATOM 0 HB ILE A 19 2.307 -6.348 2.267 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.633 -8.383 0.199 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.561 -8.935 1.470 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.086 -6.373 0.564 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.754 -6.376 2.214 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.728 -7.880 1.262 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.306 -7.823 -0.313 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.180 -6.903 1.205 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.269 -6.343 -0.086 1.00 0.00 H new ATOM 393 N ALA A 20 1.195 -6.900 4.503 1.00 0.00 N ATOM 394 CA ALA A 20 -0.066 -6.740 5.216 1.00 0.00 C ATOM 395 C ALA A 20 -0.911 -5.635 4.591 1.00 0.00 C ATOM 396 O ALA A 20 -0.504 -4.472 4.557 1.00 0.00 O ATOM 397 CB ALA A 20 0.193 -6.444 6.685 1.00 0.00 C ATOM 0 H ALA A 20 1.720 -6.035 4.376 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.622 -7.674 5.139 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.757 -6.327 7.206 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.751 -7.268 7.129 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.771 -5.524 6.774 1.00 0.00 H new ATOM 403 N ILE A 21 -2.088 -6.005 4.097 1.00 0.00 N ATOM 404 CA ILE A 21 -2.989 -5.043 3.472 1.00 0.00 C ATOM 405 C ILE A 21 -3.726 -4.215 4.519 1.00 0.00 C ATOM 406 O ILE A 21 -3.952 -4.672 5.640 1.00 0.00 O ATOM 407 CB ILE A 21 -4.020 -5.746 2.566 1.00 0.00 C ATOM 408 CG1 ILE A 21 -4.902 -6.690 3.387 1.00 0.00 C ATOM 409 CG2 ILE A 21 -3.314 -6.507 1.454 1.00 0.00 C ATOM 410 CD1 ILE A 21 -6.087 -6.002 4.030 1.00 0.00 C ATOM 0 H ILE A 21 -2.440 -6.962 4.117 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.372 -4.382 2.863 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.659 -4.987 2.115 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.263 -7.491 2.741 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.297 -7.156 4.164 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.054 -6.998 0.822 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -2.728 -5.812 0.853 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.653 -7.257 1.889 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.668 -6.731 4.596 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.733 -5.220 4.702 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.715 -5.560 3.256 1.00 0.00 H new ATOM 422 N SER A 22 -4.098 -2.995 4.146 1.00 0.00 N ATOM 423 CA SER A 22 -4.811 -2.101 5.052 1.00 0.00 C ATOM 424 C SER A 22 -5.771 -1.200 4.283 1.00 0.00 C ATOM 425 O SER A 22 -5.410 -0.625 3.257 1.00 0.00 O ATOM 426 CB SER A 22 -3.820 -1.252 5.849 1.00 0.00 C ATOM 427 OG SER A 22 -4.254 -1.079 7.186 1.00 0.00 O ATOM 0 H SER A 22 -3.918 -2.602 3.222 1.00 0.00 H new ATOM 0 HA SER A 22 -5.392 -2.712 5.744 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.840 -1.729 5.841 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.705 -0.279 5.372 1.00 0.00 H new ATOM 0 HG SER A 22 -3.692 -0.409 7.628 1.00 0.00 H new ATOM 433 N GLY A 23 -6.996 -1.081 4.786 1.00 0.00 N ATOM 434 CA GLY A 23 -7.988 -0.247 4.132 1.00 0.00 C ATOM 435 C GLY A 23 -9.388 -0.818 4.240 1.00 0.00 C ATOM 436 O GLY A 23 -9.772 -1.343 5.285 1.00 0.00 O ATOM 0 H GLY A 23 -7.319 -1.547 5.634 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.970 0.749 4.575 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.726 -0.133 3.080 1.00 0.00 H new ATOM 440 N GLY A 24 -10.153 -0.716 3.158 1.00 0.00 N ATOM 441 CA GLY A 24 -11.510 -1.231 3.156 1.00 0.00 C ATOM 442 C GLY A 24 -12.534 -0.167 2.811 1.00 0.00 C ATOM 443 O GLY A 24 -12.618 0.864 3.479 1.00 0.00 O ATOM 0 H GLY A 24 -9.857 -0.286 2.282 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.584 -2.048 2.439 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.739 -1.647 4.137 1.00 0.00 H new ATOM 447 N ARG A 25 -13.314 -0.417 1.764 1.00 0.00 N ATOM 448 CA ARG A 25 -14.338 0.528 1.333 1.00 0.00 C ATOM 449 C ARG A 25 -15.493 0.577 2.330 1.00 0.00 C ATOM 450 O ARG A 25 -16.168 1.599 2.461 1.00 0.00 O ATOM 451 CB ARG A 25 -14.861 0.150 -0.055 1.00 0.00 C ATOM 452 CG ARG A 25 -15.582 -1.189 -0.091 1.00 0.00 C ATOM 453 CD ARG A 25 -16.894 -1.100 -0.857 1.00 0.00 C ATOM 454 NE ARG A 25 -18.050 -1.153 0.034 1.00 0.00 N ATOM 455 CZ ARG A 25 -19.283 -1.454 -0.369 1.00 0.00 C ATOM 456 NH1 ARG A 25 -19.524 -1.727 -1.646 1.00 0.00 N ATOM 457 NH2 ARG A 25 -20.279 -1.481 0.507 1.00 0.00 N ATOM 0 H ARG A 25 -13.257 -1.264 1.199 1.00 0.00 H new ATOM 0 HA ARG A 25 -13.884 1.518 1.285 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -15.540 0.928 -0.402 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -14.025 0.122 -0.754 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -14.939 -1.936 -0.556 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -15.777 -1.525 0.927 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -16.918 -0.172 -1.428 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -16.951 -1.918 -1.575 1.00 0.00 H new ATOM 0 HE ARG A 25 -17.904 -0.948 1.022 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -18.763 -1.707 -2.324 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -20.471 -1.957 -1.949 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -20.100 -1.271 1.489 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -21.223 -1.712 0.198 1.00 0.00 H new ATOM 613 N SER A 36 -8.409 3.498 -1.293 1.00 0.00 N ATOM 614 CA SER A 36 -7.807 2.267 -1.793 1.00 0.00 C ATOM 615 C SER A 36 -7.002 1.576 -0.697 1.00 0.00 C ATOM 616 O SER A 36 -6.610 2.203 0.287 1.00 0.00 O ATOM 617 CB SER A 36 -6.907 2.565 -2.993 1.00 0.00 C ATOM 618 OG SER A 36 -5.869 3.464 -2.643 1.00 0.00 O ATOM 0 HA SER A 36 -8.609 1.599 -2.108 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.477 1.636 -3.368 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.502 2.990 -3.801 1.00 0.00 H new ATOM 0 HG SER A 36 -6.192 4.087 -1.959 1.00 0.00 H new ATOM 624 N ILE A 37 -6.759 0.281 -0.874 1.00 0.00 N ATOM 625 CA ILE A 37 -6.000 -0.490 0.102 1.00 0.00 C ATOM 626 C ILE A 37 -4.508 -0.187 -0.001 1.00 0.00 C ATOM 627 O ILE A 37 -3.996 0.095 -1.085 1.00 0.00 O ATOM 628 CB ILE A 37 -6.229 -2.006 -0.078 1.00 0.00 C ATOM 629 CG1 ILE A 37 -7.720 -2.335 0.040 1.00 0.00 C ATOM 630 CG2 ILE A 37 -5.426 -2.795 0.947 1.00 0.00 C ATOM 631 CD1 ILE A 37 -8.394 -2.577 -1.292 1.00 0.00 C ATOM 0 H ILE A 37 -7.076 -0.254 -1.682 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.357 -0.196 1.089 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.887 -2.292 -1.073 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -7.840 -3.220 0.664 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.225 -1.515 0.550 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.601 -3.861 0.804 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.365 -2.581 0.821 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.737 -2.508 1.952 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.448 -2.804 -1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.306 -1.685 -1.912 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.915 -3.417 -1.795 1.00 0.00 H new ATOM 643 N VAL A 38 -3.818 -0.245 1.132 1.00 0.00 N ATOM 644 CA VAL A 38 -2.385 0.026 1.170 1.00 0.00 C ATOM 645 C VAL A 38 -1.673 -0.919 2.134 1.00 0.00 C ATOM 646 O VAL A 38 -2.295 -1.497 3.025 1.00 0.00 O ATOM 647 CB VAL A 38 -2.102 1.484 1.585 1.00 0.00 C ATOM 648 CG1 VAL A 38 -2.634 1.758 2.984 1.00 0.00 C ATOM 649 CG2 VAL A 38 -0.612 1.787 1.504 1.00 0.00 C ATOM 0 H VAL A 38 -4.227 -0.477 2.037 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.002 -0.136 0.162 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.621 2.144 0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.424 2.792 3.257 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.711 1.589 3.003 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.149 1.089 3.695 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.434 2.821 1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.068 1.119 2.172 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.266 1.639 0.481 1.00 0.00 H new ATOM 659 N ILE A 39 -0.365 -1.072 1.949 1.00 0.00 N ATOM 660 CA ILE A 39 0.429 -1.947 2.804 1.00 0.00 C ATOM 661 C ILE A 39 0.670 -1.312 4.169 1.00 0.00 C ATOM 662 O ILE A 39 1.367 -0.304 4.282 1.00 0.00 O ATOM 663 CB ILE A 39 1.789 -2.279 2.159 1.00 0.00 C ATOM 664 CG1 ILE A 39 1.600 -2.700 0.701 1.00 0.00 C ATOM 665 CG2 ILE A 39 2.495 -3.372 2.946 1.00 0.00 C ATOM 666 CD1 ILE A 39 1.809 -1.571 -0.285 1.00 0.00 C ATOM 0 H ILE A 39 0.166 -0.602 1.216 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.141 -2.868 2.930 1.00 0.00 H new ATOM 0 HB ILE A 39 2.411 -1.384 2.179 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.296 -3.506 0.471 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.594 -3.101 0.574 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.454 -3.596 2.478 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.660 -3.035 3.969 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.878 -4.270 2.955 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.659 -1.941 -1.299 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.095 -0.773 -0.081 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.823 -1.185 -0.186 1.00 0.00 H new ATOM 678 N SER A 40 0.087 -1.908 5.204 1.00 0.00 N ATOM 679 CA SER A 40 0.238 -1.400 6.564 1.00 0.00 C ATOM 680 C SER A 40 1.643 -1.671 7.092 1.00 0.00 C ATOM 681 O SER A 40 2.372 -0.747 7.450 1.00 0.00 O ATOM 682 CB SER A 40 -0.798 -2.042 7.488 1.00 0.00 C ATOM 683 OG SER A 40 -1.111 -3.359 7.070 1.00 0.00 O ATOM 0 H SER A 40 -0.494 -2.743 5.128 1.00 0.00 H new ATOM 0 HA SER A 40 0.078 -0.322 6.543 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.416 -2.063 8.509 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.704 -1.436 7.499 1.00 0.00 H new ATOM 0 HG SER A 40 -1.774 -3.746 7.679 1.00 0.00 H new ATOM 689 N ASP A 41 2.016 -2.946 7.135 1.00 0.00 N ATOM 690 CA ASP A 41 3.335 -3.342 7.618 1.00 0.00 C ATOM 691 C ASP A 41 3.792 -4.635 6.953 1.00 0.00 C ATOM 692 O ASP A 41 2.973 -5.442 6.515 1.00 0.00 O ATOM 693 CB ASP A 41 3.314 -3.515 9.137 1.00 0.00 C ATOM 694 CG ASP A 41 3.572 -2.215 9.872 1.00 0.00 C ATOM 695 OD1 ASP A 41 2.597 -1.484 10.144 1.00 0.00 O ATOM 696 OD2 ASP A 41 4.750 -1.927 10.173 1.00 0.00 O ATOM 0 H ASP A 41 1.424 -3.723 6.841 1.00 0.00 H new ATOM 0 HA ASP A 41 4.041 -2.553 7.359 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.346 -3.915 9.441 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.067 -4.248 9.427 1.00 0.00 H new ATOM 701 N VAL A 42 5.106 -4.827 6.881 1.00 0.00 N ATOM 702 CA VAL A 42 5.669 -6.022 6.269 1.00 0.00 C ATOM 703 C VAL A 42 6.698 -6.679 7.183 1.00 0.00 C ATOM 704 O VAL A 42 7.536 -6.002 7.779 1.00 0.00 O ATOM 705 CB VAL A 42 6.334 -5.703 4.916 1.00 0.00 C ATOM 706 CG1 VAL A 42 5.308 -5.164 3.930 1.00 0.00 C ATOM 707 CG2 VAL A 42 7.476 -4.714 5.100 1.00 0.00 C ATOM 0 H VAL A 42 5.799 -4.170 7.239 1.00 0.00 H new ATOM 0 HA VAL A 42 4.840 -6.710 6.106 1.00 0.00 H new ATOM 0 HB VAL A 42 6.746 -6.627 4.509 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.796 -4.944 2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.528 -5.909 3.773 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.864 -4.252 4.329 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.933 -4.502 4.133 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.091 -3.790 5.530 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.223 -5.142 5.768 1.00 0.00 H new ATOM 717 N LEU A 43 6.629 -8.001 7.286 1.00 0.00 N ATOM 718 CA LEU A 43 7.557 -8.753 8.124 1.00 0.00 C ATOM 719 C LEU A 43 9.000 -8.533 7.676 1.00 0.00 C ATOM 720 O LEU A 43 9.933 -8.686 8.464 1.00 0.00 O ATOM 721 CB LEU A 43 7.224 -10.247 8.087 1.00 0.00 C ATOM 722 CG LEU A 43 6.742 -10.775 6.731 1.00 0.00 C ATOM 723 CD1 LEU A 43 7.517 -12.024 6.334 1.00 0.00 C ATOM 724 CD2 LEU A 43 5.248 -11.064 6.775 1.00 0.00 C ATOM 0 H LEU A 43 5.940 -8.575 6.800 1.00 0.00 H new ATOM 0 HA LEU A 43 7.452 -8.390 9.147 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.111 -10.808 8.383 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.455 -10.450 8.832 1.00 0.00 H new ATOM 0 HG LEU A 43 6.924 -10.008 5.979 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.159 -12.383 5.369 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.578 -11.786 6.262 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.369 -12.799 7.086 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.921 -11.438 5.805 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.045 -11.813 7.540 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.707 -10.148 7.012 1.00 0.00 H new ATOM 736 N LYS A 44 9.175 -8.178 6.406 1.00 0.00 N ATOM 737 CA LYS A 44 10.505 -7.939 5.854 1.00 0.00 C ATOM 738 C LYS A 44 11.327 -9.221 5.851 1.00 0.00 C ATOM 739 O LYS A 44 12.550 -9.189 6.000 1.00 0.00 O ATOM 740 CB LYS A 44 11.230 -6.856 6.655 1.00 0.00 C ATOM 741 CG LYS A 44 12.160 -5.997 5.812 1.00 0.00 C ATOM 742 CD LYS A 44 13.543 -5.882 6.436 1.00 0.00 C ATOM 743 CE LYS A 44 13.808 -4.479 6.957 1.00 0.00 C ATOM 744 NZ LYS A 44 14.747 -3.728 6.079 1.00 0.00 N ATOM 0 H LYS A 44 8.413 -8.050 5.740 1.00 0.00 H new ATOM 0 HA LYS A 44 10.388 -7.599 4.825 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.491 -6.214 7.135 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.806 -7.328 7.451 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.246 -6.426 4.814 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.730 -5.002 5.695 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.634 -6.597 7.253 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.299 -6.145 5.696 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.866 -3.935 7.030 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.221 -4.538 7.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.901 -2.776 6.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.655 -4.233 6.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.342 -3.649 5.124 1.00 0.00 H new ATOM 758 N GLY A 45 10.650 -10.352 5.681 1.00 0.00 N ATOM 759 CA GLY A 45 11.334 -11.631 5.661 1.00 0.00 C ATOM 760 C GLY A 45 10.657 -12.644 4.758 1.00 0.00 C ATOM 761 O GLY A 45 10.911 -13.844 4.865 1.00 0.00 O ATOM 0 H GLY A 45 9.639 -10.405 5.557 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.361 -11.484 5.328 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.381 -12.029 6.675 1.00 0.00 H new ATOM 765 N GLY A 46 9.794 -12.165 3.866 1.00 0.00 N ATOM 766 CA GLY A 46 9.097 -13.057 2.958 1.00 0.00 C ATOM 767 C GLY A 46 9.291 -12.670 1.503 1.00 0.00 C ATOM 768 O GLY A 46 10.282 -12.028 1.157 1.00 0.00 O ATOM 0 H GLY A 46 9.566 -11.177 3.756 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.452 -14.076 3.110 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.033 -13.052 3.194 1.00 0.00 H new ATOM 772 N PRO A 47 8.353 -13.052 0.619 1.00 0.00 N ATOM 773 CA PRO A 47 8.439 -12.734 -0.809 1.00 0.00 C ATOM 774 C PRO A 47 8.216 -11.250 -1.088 1.00 0.00 C ATOM 775 O PRO A 47 8.712 -10.715 -2.079 1.00 0.00 O ATOM 776 CB PRO A 47 7.316 -13.569 -1.427 1.00 0.00 C ATOM 777 CG PRO A 47 6.331 -13.753 -0.326 1.00 0.00 C ATOM 778 CD PRO A 47 7.136 -13.822 0.943 1.00 0.00 C ATOM 0 HA PRO A 47 9.426 -12.954 -1.216 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.867 -13.059 -2.279 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.689 -14.527 -1.789 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.622 -12.925 -0.294 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.751 -14.664 -0.470 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.597 -13.387 1.785 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.372 -14.851 1.214 1.00 0.00 H new ATOM 786 N ALA A 48 7.466 -10.592 -0.210 1.00 0.00 N ATOM 787 CA ALA A 48 7.178 -9.172 -0.365 1.00 0.00 C ATOM 788 C ALA A 48 7.782 -8.359 0.776 1.00 0.00 C ATOM 789 O ALA A 48 7.201 -7.368 1.220 1.00 0.00 O ATOM 790 CB ALA A 48 5.676 -8.944 -0.440 1.00 0.00 C ATOM 0 H ALA A 48 7.047 -11.020 0.616 1.00 0.00 H new ATOM 0 HA ALA A 48 7.634 -8.835 -1.296 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.475 -7.879 -0.556 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.268 -9.485 -1.294 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.207 -9.304 0.476 1.00 0.00 H new ATOM 796 N GLU A 49 8.951 -8.783 1.246 1.00 0.00 N ATOM 797 CA GLU A 49 9.633 -8.093 2.335 1.00 0.00 C ATOM 798 C GLU A 49 9.886 -6.630 1.982 1.00 0.00 C ATOM 799 O GLU A 49 9.783 -5.749 2.835 1.00 0.00 O ATOM 800 CB GLU A 49 10.960 -8.787 2.656 1.00 0.00 C ATOM 801 CG GLU A 49 11.767 -9.156 1.421 1.00 0.00 C ATOM 802 CD GLU A 49 13.205 -9.505 1.749 1.00 0.00 C ATOM 803 OE1 GLU A 49 13.439 -10.126 2.807 1.00 0.00 O ATOM 804 OE2 GLU A 49 14.098 -9.157 0.949 1.00 0.00 O ATOM 0 H GLU A 49 9.446 -9.601 0.890 1.00 0.00 H new ATOM 0 HA GLU A 49 8.988 -8.130 3.213 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.559 -8.133 3.289 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.758 -9.690 3.232 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.296 -10.003 0.923 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.750 -8.323 0.718 1.00 0.00 H new ATOM 811 N GLY A 50 10.218 -6.379 0.720 1.00 0.00 N ATOM 812 CA GLY A 50 10.482 -5.022 0.280 1.00 0.00 C ATOM 813 C GLY A 50 9.959 -4.750 -1.116 1.00 0.00 C ATOM 814 O GLY A 50 10.534 -3.953 -1.857 1.00 0.00 O ATOM 0 H GLY A 50 10.309 -7.091 -0.005 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.024 -4.322 0.979 1.00 0.00 H new ATOM 0 HA3 GLY A 50 11.556 -4.839 0.304 1.00 0.00 H new ATOM 818 N GLN A 51 8.865 -5.412 -1.477 1.00 0.00 N ATOM 819 CA GLN A 51 8.265 -5.235 -2.794 1.00 0.00 C ATOM 820 C GLN A 51 7.100 -4.251 -2.732 1.00 0.00 C ATOM 821 O GLN A 51 6.913 -3.439 -3.637 1.00 0.00 O ATOM 822 CB GLN A 51 7.788 -6.581 -3.346 1.00 0.00 C ATOM 823 CG GLN A 51 8.214 -6.834 -4.784 1.00 0.00 C ATOM 824 CD GLN A 51 9.549 -7.548 -4.878 1.00 0.00 C ATOM 825 OE1 GLN A 51 10.557 -6.955 -5.260 1.00 0.00 O ATOM 826 NE2 GLN A 51 9.559 -8.830 -4.532 1.00 0.00 N ATOM 0 H GLN A 51 8.376 -6.076 -0.876 1.00 0.00 H new ATOM 0 HA GLN A 51 9.024 -4.828 -3.462 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.175 -7.381 -2.715 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.701 -6.625 -3.285 1.00 0.00 H new ATOM 0 HG2 GLN A 51 7.451 -7.429 -5.286 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.276 -5.883 -5.314 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.699 -9.281 -4.221 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.427 -9.364 -4.577 1.00 0.00 H new ATOM 835 N LEU A 52 6.321 -4.332 -1.658 1.00 0.00 N ATOM 836 CA LEU A 52 5.174 -3.448 -1.478 1.00 0.00 C ATOM 837 C LEU A 52 5.308 -2.637 -0.193 1.00 0.00 C ATOM 838 O LEU A 52 5.630 -3.178 0.864 1.00 0.00 O ATOM 839 CB LEU A 52 3.879 -4.262 -1.451 1.00 0.00 C ATOM 840 CG LEU A 52 3.744 -5.300 -2.567 1.00 0.00 C ATOM 841 CD1 LEU A 52 2.458 -6.093 -2.407 1.00 0.00 C ATOM 842 CD2 LEU A 52 3.790 -4.624 -3.929 1.00 0.00 C ATOM 0 H LEU A 52 6.462 -5.000 -0.900 1.00 0.00 H new ATOM 0 HA LEU A 52 5.143 -2.756 -2.319 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.808 -4.772 -0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.035 -3.575 -1.510 1.00 0.00 H new ATOM 0 HG LEU A 52 4.583 -5.992 -2.497 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.380 -6.826 -3.210 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.465 -6.607 -1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.605 -5.416 -2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.693 -5.376 -4.712 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.971 -3.909 -4.008 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.740 -4.101 -4.044 1.00 0.00 H new ATOM 854 N GLN A 53 5.058 -1.335 -0.293 1.00 0.00 N ATOM 855 CA GLN A 53 5.150 -0.448 0.860 1.00 0.00 C ATOM 856 C GLN A 53 4.212 0.745 0.706 1.00 0.00 C ATOM 857 O GLN A 53 3.589 0.927 -0.340 1.00 0.00 O ATOM 858 CB GLN A 53 6.588 0.039 1.043 1.00 0.00 C ATOM 859 CG GLN A 53 7.094 0.892 -0.108 1.00 0.00 C ATOM 860 CD GLN A 53 8.447 0.439 -0.620 1.00 0.00 C ATOM 861 OE1 GLN A 53 9.487 0.835 -0.093 1.00 0.00 O ATOM 862 NE2 GLN A 53 8.441 -0.396 -1.652 1.00 0.00 N ATOM 0 H GLN A 53 4.790 -0.871 -1.161 1.00 0.00 H new ATOM 0 HA GLN A 53 4.850 -1.011 1.744 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.653 0.615 1.966 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.243 -0.825 1.159 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.372 0.860 -0.924 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.162 1.930 0.217 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.556 -0.699 -2.058 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.322 -0.735 -2.039 1.00 0.00 H new ATOM 871 N GLU A 54 4.114 1.555 1.757 1.00 0.00 N ATOM 872 CA GLU A 54 3.251 2.733 1.741 1.00 0.00 C ATOM 873 C GLU A 54 3.523 3.599 0.515 1.00 0.00 C ATOM 874 O GLU A 54 2.627 4.270 0.005 1.00 0.00 O ATOM 875 CB GLU A 54 3.456 3.556 3.015 1.00 0.00 C ATOM 876 CG GLU A 54 2.511 3.174 4.144 1.00 0.00 C ATOM 877 CD GLU A 54 2.133 4.358 5.012 1.00 0.00 C ATOM 878 OE1 GLU A 54 1.959 5.465 4.463 1.00 0.00 O ATOM 879 OE2 GLU A 54 2.010 4.177 6.242 1.00 0.00 O ATOM 0 H GLU A 54 4.622 1.417 2.631 1.00 0.00 H new ATOM 0 HA GLU A 54 2.217 2.391 1.696 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.484 3.433 3.356 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.322 4.612 2.781 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.607 2.733 3.723 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.980 2.409 4.763 1.00 0.00 H new ATOM 886 N ASN A 55 4.767 3.578 0.045 1.00 0.00 N ATOM 887 CA ASN A 55 5.154 4.360 -1.123 1.00 0.00 C ATOM 888 C ASN A 55 4.421 3.874 -2.369 1.00 0.00 C ATOM 889 O ASN A 55 4.124 4.655 -3.272 1.00 0.00 O ATOM 890 CB ASN A 55 6.666 4.277 -1.341 1.00 0.00 C ATOM 891 CG ASN A 55 7.449 4.587 -0.080 1.00 0.00 C ATOM 892 OD1 ASN A 55 8.350 3.842 0.303 1.00 0.00 O ATOM 893 ND2 ASN A 55 7.108 5.691 0.573 1.00 0.00 N ATOM 0 H ASN A 55 5.522 3.029 0.455 1.00 0.00 H new ATOM 0 HA ASN A 55 4.877 5.399 -0.942 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.926 3.278 -1.690 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.956 4.975 -2.126 1.00 0.00 H new ATOM 0 HD21 ASN A 55 7.600 5.950 1.428 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.354 6.280 0.220 1.00 0.00 H new ATOM 900 N ASP A 56 4.131 2.577 -2.407 1.00 0.00 N ATOM 901 CA ASP A 56 3.431 1.983 -3.539 1.00 0.00 C ATOM 902 C ASP A 56 1.932 1.900 -3.263 1.00 0.00 C ATOM 903 O ASP A 56 1.494 1.167 -2.377 1.00 0.00 O ATOM 904 CB ASP A 56 3.985 0.589 -3.835 1.00 0.00 C ATOM 905 CG ASP A 56 5.500 0.571 -3.909 1.00 0.00 C ATOM 906 OD1 ASP A 56 6.098 1.655 -4.072 1.00 0.00 O ATOM 907 OD2 ASP A 56 6.087 -0.526 -3.805 1.00 0.00 O ATOM 0 H ASP A 56 4.370 1.918 -1.666 1.00 0.00 H new ATOM 0 HA ASP A 56 3.590 2.619 -4.409 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.654 -0.102 -3.060 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.574 0.231 -4.779 1.00 0.00 H new ATOM 912 N ARG A 57 1.153 2.659 -4.026 1.00 0.00 N ATOM 913 CA ARG A 57 -0.295 2.674 -3.860 1.00 0.00 C ATOM 914 C ARG A 57 -0.945 1.508 -4.598 1.00 0.00 C ATOM 915 O ARG A 57 -0.872 1.420 -5.824 1.00 0.00 O ATOM 916 CB ARG A 57 -0.873 3.995 -4.369 1.00 0.00 C ATOM 917 CG ARG A 57 -0.815 5.119 -3.346 1.00 0.00 C ATOM 918 CD ARG A 57 -0.500 6.453 -4.003 1.00 0.00 C ATOM 919 NE ARG A 57 -1.267 7.548 -3.413 1.00 0.00 N ATOM 920 CZ ARG A 57 -1.072 8.008 -2.179 1.00 0.00 C ATOM 921 NH1 ARG A 57 -0.136 7.477 -1.404 1.00 0.00 N ATOM 922 NH2 ARG A 57 -1.817 9.005 -1.720 1.00 0.00 N ATOM 0 H ARG A 57 1.500 3.271 -4.765 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.511 2.572 -2.797 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.329 4.300 -5.263 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.910 3.838 -4.666 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.769 5.186 -2.823 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.056 4.892 -2.597 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.565 6.663 -3.905 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.717 6.392 -5.070 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.994 7.985 -3.979 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.440 6.711 -1.752 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.008 7.835 -0.460 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.538 9.418 -2.312 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.669 9.359 -0.775 1.00 0.00 H new ATOM 936 N VAL A 58 -1.584 0.618 -3.844 1.00 0.00 N ATOM 937 CA VAL A 58 -2.249 -0.539 -4.429 1.00 0.00 C ATOM 938 C VAL A 58 -3.565 -0.136 -5.085 1.00 0.00 C ATOM 939 O VAL A 58 -4.439 0.442 -4.438 1.00 0.00 O ATOM 940 CB VAL A 58 -2.527 -1.627 -3.374 1.00 0.00 C ATOM 941 CG1 VAL A 58 -3.029 -2.900 -4.038 1.00 0.00 C ATOM 942 CG2 VAL A 58 -1.279 -1.905 -2.548 1.00 0.00 C ATOM 0 H VAL A 58 -1.655 0.677 -2.828 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.574 -0.944 -5.183 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.305 -1.263 -2.703 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.220 -3.657 -3.277 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.951 -2.689 -4.579 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.276 -3.268 -4.735 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.496 -2.676 -1.809 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.477 -2.246 -3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.968 -0.992 -2.040 1.00 0.00 H new ATOM 952 N ALA A 59 -3.697 -0.441 -6.370 1.00 0.00 N ATOM 953 CA ALA A 59 -4.908 -0.105 -7.111 1.00 0.00 C ATOM 954 C ALA A 59 -5.655 -1.358 -7.561 1.00 0.00 C ATOM 955 O ALA A 59 -6.853 -1.308 -7.838 1.00 0.00 O ATOM 956 CB ALA A 59 -4.565 0.766 -8.311 1.00 0.00 C ATOM 0 H ALA A 59 -2.983 -0.919 -6.920 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.566 0.451 -6.443 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.477 1.010 -8.856 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.089 1.685 -7.969 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.883 0.227 -8.968 1.00 0.00 H new ATOM 962 N MET A 60 -4.944 -2.480 -7.636 1.00 0.00 N ATOM 963 CA MET A 60 -5.553 -3.737 -8.056 1.00 0.00 C ATOM 964 C MET A 60 -4.791 -4.932 -7.490 1.00 0.00 C ATOM 965 O MET A 60 -3.594 -4.847 -7.217 1.00 0.00 O ATOM 966 CB MET A 60 -5.592 -3.818 -9.585 1.00 0.00 C ATOM 967 CG MET A 60 -6.188 -5.113 -10.114 1.00 0.00 C ATOM 968 SD MET A 60 -6.684 -4.995 -11.843 1.00 0.00 S ATOM 969 CE MET A 60 -5.298 -5.791 -12.651 1.00 0.00 C ATOM 0 H MET A 60 -3.951 -2.544 -7.413 1.00 0.00 H new ATOM 0 HA MET A 60 -6.571 -3.767 -7.668 1.00 0.00 H new ATOM 0 HB2 MET A 60 -6.171 -2.978 -9.970 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.579 -3.710 -9.972 1.00 0.00 H new ATOM 0 HG2 MET A 60 -5.459 -5.916 -10.003 1.00 0.00 H new ATOM 0 HG3 MET A 60 -7.054 -5.383 -9.509 1.00 0.00 H new ATOM 0 HE1 MET A 60 -5.645 -6.300 -13.550 1.00 0.00 H new ATOM 0 HE2 MET A 60 -4.555 -5.041 -12.922 1.00 0.00 H new ATOM 0 HE3 MET A 60 -4.850 -6.517 -11.973 1.00 0.00 H new ATOM 979 N VAL A 61 -5.496 -6.046 -7.321 1.00 0.00 N ATOM 980 CA VAL A 61 -4.894 -7.262 -6.793 1.00 0.00 C ATOM 981 C VAL A 61 -5.455 -8.495 -7.496 1.00 0.00 C ATOM 982 O VAL A 61 -6.658 -8.751 -7.452 1.00 0.00 O ATOM 983 CB VAL A 61 -5.128 -7.393 -5.275 1.00 0.00 C ATOM 984 CG1 VAL A 61 -6.616 -7.464 -4.963 1.00 0.00 C ATOM 985 CG2 VAL A 61 -4.399 -8.609 -4.722 1.00 0.00 C ATOM 0 H VAL A 61 -6.488 -6.130 -7.543 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.822 -7.196 -6.979 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.723 -6.505 -4.789 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.758 -7.556 -3.886 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.106 -6.557 -5.317 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.051 -8.330 -5.462 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.577 -8.683 -3.649 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.767 -9.509 -5.214 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.330 -8.507 -4.906 1.00 0.00 H new ATOM 995 N ASN A 62 -4.577 -9.254 -8.146 1.00 0.00 N ATOM 996 CA ASN A 62 -4.989 -10.460 -8.859 1.00 0.00 C ATOM 997 C ASN A 62 -6.111 -10.155 -9.848 1.00 0.00 C ATOM 998 O ASN A 62 -6.973 -10.996 -10.102 1.00 0.00 O ATOM 999 CB ASN A 62 -5.445 -11.532 -7.868 1.00 0.00 C ATOM 1000 CG ASN A 62 -5.004 -12.924 -8.279 1.00 0.00 C ATOM 1001 OD1 ASN A 62 -3.984 -13.092 -8.948 1.00 0.00 O ATOM 1002 ND2 ASN A 62 -5.774 -13.930 -7.881 1.00 0.00 N ATOM 0 H ASN A 62 -3.578 -9.056 -8.194 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.130 -10.831 -9.418 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.045 -11.304 -6.880 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.532 -11.508 -7.785 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.529 -14.889 -8.128 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.611 -13.744 -7.328 1.00 0.00 H new ATOM 1009 N GLY A 63 -6.092 -8.947 -10.404 1.00 0.00 N ATOM 1010 CA GLY A 63 -7.112 -8.553 -11.360 1.00 0.00 C ATOM 1011 C GLY A 63 -8.249 -7.779 -10.720 1.00 0.00 C ATOM 1012 O GLY A 63 -8.918 -6.987 -11.384 1.00 0.00 O ATOM 0 H GLY A 63 -5.389 -8.234 -10.210 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.656 -7.943 -12.140 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.512 -9.443 -11.845 1.00 0.00 H new ATOM 1016 N VAL A 64 -8.473 -8.011 -9.430 1.00 0.00 N ATOM 1017 CA VAL A 64 -9.541 -7.331 -8.705 1.00 0.00 C ATOM 1018 C VAL A 64 -9.097 -5.953 -8.228 1.00 0.00 C ATOM 1019 O VAL A 64 -8.064 -5.814 -7.574 1.00 0.00 O ATOM 1020 CB VAL A 64 -10.007 -8.156 -7.490 1.00 0.00 C ATOM 1021 CG1 VAL A 64 -11.246 -7.534 -6.866 1.00 0.00 C ATOM 1022 CG2 VAL A 64 -10.273 -9.598 -7.894 1.00 0.00 C ATOM 0 H VAL A 64 -7.930 -8.664 -8.866 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.372 -7.219 -9.402 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.211 -8.152 -6.745 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.560 -8.130 -6.009 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.018 -6.520 -6.538 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.049 -7.505 -7.603 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.601 -10.165 -7.023 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -11.050 -9.624 -8.658 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.359 -10.039 -8.291 1.00 0.00 H new ATOM 1032 N SER A 65 -9.885 -4.935 -8.560 1.00 0.00 N ATOM 1033 CA SER A 65 -9.577 -3.564 -8.168 1.00 0.00 C ATOM 1034 C SER A 65 -9.434 -3.445 -6.653 1.00 0.00 C ATOM 1035 O SER A 65 -10.156 -4.096 -5.899 1.00 0.00 O ATOM 1036 CB SER A 65 -10.670 -2.616 -8.664 1.00 0.00 C ATOM 1037 OG SER A 65 -10.981 -2.861 -10.024 1.00 0.00 O ATOM 0 H SER A 65 -10.744 -5.034 -9.101 1.00 0.00 H new ATOM 0 HA SER A 65 -8.627 -3.288 -8.624 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.566 -2.739 -8.055 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.342 -1.584 -8.543 1.00 0.00 H new ATOM 0 HG SER A 65 -11.683 -2.243 -10.315 1.00 0.00 H new ATOM 1043 N MET A 66 -8.496 -2.609 -6.218 1.00 0.00 N ATOM 1044 CA MET A 66 -8.255 -2.403 -4.794 1.00 0.00 C ATOM 1045 C MET A 66 -8.566 -0.965 -4.393 1.00 0.00 C ATOM 1046 O MET A 66 -7.945 -0.415 -3.483 1.00 0.00 O ATOM 1047 CB MET A 66 -6.801 -2.735 -4.450 1.00 0.00 C ATOM 1048 CG MET A 66 -6.562 -4.213 -4.180 1.00 0.00 C ATOM 1049 SD MET A 66 -6.187 -4.554 -2.449 1.00 0.00 S ATOM 1050 CE MET A 66 -4.567 -5.303 -2.595 1.00 0.00 C ATOM 0 H MET A 66 -7.891 -2.063 -6.831 1.00 0.00 H new ATOM 0 HA MET A 66 -8.916 -3.068 -4.238 1.00 0.00 H new ATOM 0 HB2 MET A 66 -6.160 -2.416 -5.272 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.504 -2.161 -3.572 1.00 0.00 H new ATOM 0 HG2 MET A 66 -7.446 -4.779 -4.474 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.738 -4.563 -4.802 1.00 0.00 H new ATOM 0 HE1 MET A 66 -4.646 -6.377 -2.428 1.00 0.00 H new ATOM 0 HE2 MET A 66 -4.170 -5.119 -3.593 1.00 0.00 H new ATOM 0 HE3 MET A 66 -3.897 -4.869 -1.853 1.00 0.00 H new ATOM 1060 N ASP A 67 -9.531 -0.359 -5.078 1.00 0.00 N ATOM 1061 CA ASP A 67 -9.922 1.018 -4.793 1.00 0.00 C ATOM 1062 C ASP A 67 -11.415 1.112 -4.491 1.00 0.00 C ATOM 1063 O ASP A 67 -12.033 2.158 -4.692 1.00 0.00 O ATOM 1064 CB ASP A 67 -9.571 1.924 -5.974 1.00 0.00 C ATOM 1065 CG ASP A 67 -10.276 1.509 -7.251 1.00 0.00 C ATOM 1066 OD1 ASP A 67 -11.524 1.474 -7.255 1.00 0.00 O ATOM 1067 OD2 ASP A 67 -9.579 1.218 -8.245 1.00 0.00 O ATOM 0 H ASP A 67 -10.056 -0.799 -5.834 1.00 0.00 H new ATOM 0 HA ASP A 67 -9.372 1.349 -3.912 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.839 2.952 -5.732 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.493 1.905 -6.135 1.00 0.00 H new ATOM 1072 N ASN A 68 -11.989 0.016 -4.004 1.00 0.00 N ATOM 1073 CA ASN A 68 -13.409 -0.021 -3.674 1.00 0.00 C ATOM 1074 C ASN A 68 -13.800 -1.381 -3.106 1.00 0.00 C ATOM 1075 O ASN A 68 -14.878 -1.901 -3.397 1.00 0.00 O ATOM 1076 CB ASN A 68 -14.254 0.290 -4.911 1.00 0.00 C ATOM 1077 CG ASN A 68 -15.555 0.985 -4.563 1.00 0.00 C ATOM 1078 OD1 ASN A 68 -16.291 0.544 -3.679 1.00 0.00 O ATOM 1079 ND2 ASN A 68 -15.847 2.078 -5.257 1.00 0.00 N ATOM 0 H ASN A 68 -11.493 -0.858 -3.829 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.598 0.739 -2.915 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.680 0.919 -5.591 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.471 -0.637 -5.442 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -16.710 2.588 -5.067 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -15.209 2.408 -5.981 1.00 0.00 H new ATOM 1086 N VAL A 69 -12.918 -1.954 -2.295 1.00 0.00 N ATOM 1087 CA VAL A 69 -13.171 -3.254 -1.688 1.00 0.00 C ATOM 1088 C VAL A 69 -12.813 -3.248 -0.205 1.00 0.00 C ATOM 1089 O VAL A 69 -11.978 -2.461 0.239 1.00 0.00 O ATOM 1090 CB VAL A 69 -12.372 -4.368 -2.390 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -12.947 -4.649 -3.769 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -10.902 -3.991 -2.483 1.00 0.00 C ATOM 0 H VAL A 69 -12.021 -1.538 -2.043 1.00 0.00 H new ATOM 0 HA VAL A 69 -14.237 -3.453 -1.803 1.00 0.00 H new ATOM 0 HB VAL A 69 -12.453 -5.279 -1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.370 -5.439 -4.250 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -13.985 -4.966 -3.673 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -12.899 -3.744 -4.375 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.352 -4.789 -2.982 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -10.798 -3.068 -3.053 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -10.500 -3.845 -1.481 1.00 0.00 H new ATOM 1102 N GLU A 70 -13.451 -4.131 0.557 1.00 0.00 N ATOM 1103 CA GLU A 70 -13.200 -4.228 1.989 1.00 0.00 C ATOM 1104 C GLU A 70 -11.851 -4.886 2.261 1.00 0.00 C ATOM 1105 O GLU A 70 -11.355 -5.667 1.450 1.00 0.00 O ATOM 1106 CB GLU A 70 -14.315 -5.024 2.670 1.00 0.00 C ATOM 1107 CG GLU A 70 -14.694 -4.490 4.042 1.00 0.00 C ATOM 1108 CD GLU A 70 -15.096 -5.589 5.005 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -16.274 -6.004 4.976 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -14.232 -6.038 5.787 1.00 0.00 O ATOM 0 H GLU A 70 -14.146 -4.790 0.205 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.181 -3.218 2.399 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.198 -5.017 2.030 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.000 -6.063 2.768 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.851 -3.938 4.458 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -15.518 -3.784 3.938 1.00 0.00 H new ATOM 1117 N HIS A 71 -11.260 -4.565 3.409 1.00 0.00 N ATOM 1118 CA HIS A 71 -9.966 -5.126 3.787 1.00 0.00 C ATOM 1119 C HIS A 71 -9.995 -6.651 3.740 1.00 0.00 C ATOM 1120 O HIS A 71 -9.049 -7.285 3.270 1.00 0.00 O ATOM 1121 CB HIS A 71 -9.572 -4.654 5.190 1.00 0.00 C ATOM 1122 CG HIS A 71 -10.495 -5.134 6.267 1.00 0.00 C ATOM 1123 ND1 HIS A 71 -10.087 -5.955 7.296 1.00 0.00 N ATOM 1124 CD2 HIS A 71 -11.814 -4.903 6.474 1.00 0.00 C ATOM 1125 CE1 HIS A 71 -11.113 -6.209 8.090 1.00 0.00 C ATOM 1126 NE2 HIS A 71 -12.172 -5.581 7.613 1.00 0.00 N ATOM 0 H HIS A 71 -11.656 -3.920 4.093 1.00 0.00 H new ATOM 0 HA HIS A 71 -9.224 -4.774 3.070 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -8.561 -4.999 5.409 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -9.547 -3.564 5.204 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -12.463 -4.298 5.858 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -11.089 -6.825 8.977 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -13.105 -5.597 8.024 1.00 0.00 H new ATOM 1135 N ALA A 72 -11.087 -7.232 4.227 1.00 0.00 N ATOM 1136 CA ALA A 72 -11.240 -8.681 4.238 1.00 0.00 C ATOM 1137 C ALA A 72 -11.380 -9.229 2.822 1.00 0.00 C ATOM 1138 O ALA A 72 -10.744 -10.219 2.462 1.00 0.00 O ATOM 1139 CB ALA A 72 -12.447 -9.073 5.077 1.00 0.00 C ATOM 0 H ALA A 72 -11.878 -6.721 4.619 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.343 -9.115 4.680 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.552 -10.158 5.078 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -12.310 -8.720 6.099 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -13.345 -8.622 4.655 1.00 0.00 H new ATOM 1145 N PHE A 73 -12.219 -8.577 2.025 1.00 0.00 N ATOM 1146 CA PHE A 73 -12.449 -8.996 0.647 1.00 0.00 C ATOM 1147 C PHE A 73 -11.154 -8.960 -0.161 1.00 0.00 C ATOM 1148 O PHE A 73 -10.926 -9.808 -1.023 1.00 0.00 O ATOM 1149 CB PHE A 73 -13.497 -8.094 -0.009 1.00 0.00 C ATOM 1150 CG PHE A 73 -14.473 -8.840 -0.874 1.00 0.00 C ATOM 1151 CD1 PHE A 73 -15.286 -9.824 -0.334 1.00 0.00 C ATOM 1152 CD2 PHE A 73 -14.580 -8.556 -2.226 1.00 0.00 C ATOM 1153 CE1 PHE A 73 -16.186 -10.512 -1.126 1.00 0.00 C ATOM 1154 CE2 PHE A 73 -15.477 -9.240 -3.023 1.00 0.00 C ATOM 1155 CZ PHE A 73 -16.282 -10.218 -2.473 1.00 0.00 C ATOM 0 H PHE A 73 -12.752 -7.755 2.310 1.00 0.00 H new ATOM 0 HA PHE A 73 -12.815 -10.023 0.662 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -14.045 -7.563 0.769 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -12.990 -7.341 -0.613 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -15.215 -10.056 0.718 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -13.955 -7.791 -2.662 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -16.813 -11.278 -0.693 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -15.549 -9.010 -4.076 1.00 0.00 H new ATOM 0 HZ PHE A 73 -16.985 -10.752 -3.094 1.00 0.00 H new ATOM 1165 N ALA A 74 -10.312 -7.971 0.119 1.00 0.00 N ATOM 1166 CA ALA A 74 -9.044 -7.821 -0.585 1.00 0.00 C ATOM 1167 C ALA A 74 -8.032 -8.875 -0.147 1.00 0.00 C ATOM 1168 O ALA A 74 -7.461 -9.583 -0.974 1.00 0.00 O ATOM 1169 CB ALA A 74 -8.483 -6.425 -0.365 1.00 0.00 C ATOM 0 H ALA A 74 -10.485 -7.260 0.830 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.233 -7.966 -1.649 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.536 -6.326 -0.896 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.190 -5.685 -0.742 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.321 -6.262 0.700 1.00 0.00 H new ATOM 1175 N VAL A 75 -7.807 -8.967 1.160 1.00 0.00 N ATOM 1176 CA VAL A 75 -6.855 -9.927 1.709 1.00 0.00 C ATOM 1177 C VAL A 75 -7.186 -11.353 1.275 1.00 0.00 C ATOM 1178 O VAL A 75 -6.292 -12.135 0.955 1.00 0.00 O ATOM 1179 CB VAL A 75 -6.814 -9.859 3.248 1.00 0.00 C ATOM 1180 CG1 VAL A 75 -8.171 -10.203 3.838 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -5.734 -10.781 3.798 1.00 0.00 C ATOM 0 H VAL A 75 -8.271 -8.388 1.859 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.875 -9.657 1.316 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.568 -8.838 3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.119 -10.149 4.925 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.916 -9.495 3.474 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.453 -11.212 3.538 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.722 -10.718 4.886 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.943 -11.807 3.496 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.763 -10.478 3.406 1.00 0.00 H new ATOM 1191 N GLN A 76 -8.472 -11.689 1.271 1.00 0.00 N ATOM 1192 CA GLN A 76 -8.907 -13.025 0.879 1.00 0.00 C ATOM 1193 C GLN A 76 -8.654 -13.275 -0.605 1.00 0.00 C ATOM 1194 O GLN A 76 -8.511 -14.420 -1.034 1.00 0.00 O ATOM 1195 CB GLN A 76 -10.393 -13.218 1.195 1.00 0.00 C ATOM 1196 CG GLN A 76 -11.316 -12.356 0.348 1.00 0.00 C ATOM 1197 CD GLN A 76 -12.504 -13.129 -0.191 1.00 0.00 C ATOM 1198 OE1 GLN A 76 -13.449 -13.427 0.539 1.00 0.00 O ATOM 1199 NE2 GLN A 76 -12.460 -13.458 -1.477 1.00 0.00 N ATOM 0 H GLN A 76 -9.229 -11.057 1.534 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.324 -13.746 1.452 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.653 -14.266 1.048 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -10.564 -12.992 2.247 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.674 -11.517 0.946 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -10.752 -11.936 -0.485 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -11.656 -13.190 -2.045 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -13.230 -13.979 -1.897 1.00 0.00 H new ATOM 1208 N GLN A 77 -8.601 -12.200 -1.387 1.00 0.00 N ATOM 1209 CA GLN A 77 -8.369 -12.313 -2.822 1.00 0.00 C ATOM 1210 C GLN A 77 -6.926 -12.712 -3.114 1.00 0.00 C ATOM 1211 O GLN A 77 -6.672 -13.654 -3.864 1.00 0.00 O ATOM 1212 CB GLN A 77 -8.699 -10.991 -3.519 1.00 0.00 C ATOM 1213 CG GLN A 77 -9.595 -11.150 -4.737 1.00 0.00 C ATOM 1214 CD GLN A 77 -10.926 -10.439 -4.580 1.00 0.00 C ATOM 1215 OE1 GLN A 77 -11.040 -9.468 -3.831 1.00 0.00 O ATOM 1216 NE2 GLN A 77 -11.941 -10.920 -5.288 1.00 0.00 N ATOM 0 H GLN A 77 -8.715 -11.244 -1.051 1.00 0.00 H new ATOM 0 HA GLN A 77 -9.025 -13.093 -3.209 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -9.185 -10.326 -2.806 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.770 -10.509 -3.823 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -9.080 -10.760 -5.615 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -9.773 -12.210 -4.917 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -11.801 -11.727 -5.896 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -12.860 -10.483 -5.224 1.00 0.00 H new ATOM 1225 N LEU A 78 -5.983 -11.993 -2.514 1.00 0.00 N ATOM 1226 CA LEU A 78 -4.566 -12.280 -2.709 1.00 0.00 C ATOM 1227 C LEU A 78 -4.165 -13.556 -1.974 1.00 0.00 C ATOM 1228 O LEU A 78 -3.375 -14.353 -2.480 1.00 0.00 O ATOM 1229 CB LEU A 78 -3.708 -11.106 -2.229 1.00 0.00 C ATOM 1230 CG LEU A 78 -4.099 -10.523 -0.868 1.00 0.00 C ATOM 1231 CD1 LEU A 78 -2.964 -10.686 0.133 1.00 0.00 C ATOM 1232 CD2 LEU A 78 -4.484 -9.056 -1.004 1.00 0.00 C ATOM 0 H LEU A 78 -6.173 -11.209 -1.890 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.396 -12.426 -3.776 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.669 -11.432 -2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.759 -10.312 -2.974 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.964 -11.073 -0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.262 -10.265 1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.736 -11.745 0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.079 -10.165 -0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.759 -8.660 -0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.638 -8.493 -1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.331 -8.964 -1.684 1.00 0.00 H new ATOM 1244 N ARG A 79 -4.717 -13.741 -0.779 1.00 0.00 N ATOM 1245 CA ARG A 79 -4.419 -14.920 0.026 1.00 0.00 C ATOM 1246 C ARG A 79 -4.922 -16.191 -0.653 1.00 0.00 C ATOM 1247 O ARG A 79 -4.407 -17.282 -0.408 1.00 0.00 O ATOM 1248 CB ARG A 79 -5.049 -14.787 1.415 1.00 0.00 C ATOM 1249 CG ARG A 79 -4.407 -15.681 2.462 1.00 0.00 C ATOM 1250 CD ARG A 79 -5.247 -15.749 3.727 1.00 0.00 C ATOM 1251 NE ARG A 79 -4.422 -15.896 4.924 1.00 0.00 N ATOM 1252 CZ ARG A 79 -3.857 -17.042 5.300 1.00 0.00 C ATOM 1253 NH1 ARG A 79 -4.025 -18.142 4.576 1.00 0.00 N ATOM 1254 NH2 ARG A 79 -3.122 -17.086 6.402 1.00 0.00 N ATOM 0 H ARG A 79 -5.373 -13.090 -0.347 1.00 0.00 H new ATOM 0 HA ARG A 79 -3.336 -14.992 0.129 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.975 -13.749 1.741 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.111 -15.025 1.348 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -4.278 -16.684 2.056 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -3.413 -15.304 2.704 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -5.850 -14.845 3.811 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -5.939 -16.588 3.658 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.270 -15.072 5.506 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -4.589 -18.112 3.727 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -3.590 -19.017 4.869 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -2.990 -16.243 6.961 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.689 -17.963 6.691 1.00 0.00 H new ATOM 1268 N LYS A 80 -5.933 -16.045 -1.505 1.00 0.00 N ATOM 1269 CA LYS A 80 -6.505 -17.183 -2.216 1.00 0.00 C ATOM 1270 C LYS A 80 -5.479 -17.818 -3.153 1.00 0.00 C ATOM 1271 O LYS A 80 -5.607 -18.985 -3.526 1.00 0.00 O ATOM 1272 CB LYS A 80 -7.739 -16.745 -3.009 1.00 0.00 C ATOM 1273 CG LYS A 80 -9.048 -17.260 -2.430 1.00 0.00 C ATOM 1274 CD LYS A 80 -10.236 -16.830 -3.274 1.00 0.00 C ATOM 1275 CE LYS A 80 -10.312 -17.617 -4.573 1.00 0.00 C ATOM 1276 NZ LYS A 80 -9.524 -16.973 -5.660 1.00 0.00 N ATOM 0 H LYS A 80 -6.372 -15.150 -1.719 1.00 0.00 H new ATOM 0 HA LYS A 80 -6.800 -17.929 -1.478 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -7.770 -15.656 -3.044 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -7.643 -17.095 -4.037 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -9.018 -18.348 -2.370 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.169 -16.888 -1.413 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.156 -16.972 -2.707 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.159 -15.766 -3.496 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -9.942 -18.629 -4.407 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.353 -17.706 -4.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -10.096 -16.935 -6.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.263 -16.008 -5.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.662 -17.526 -5.838 1.00 0.00 H new ATOM 1290 N SER A 81 -4.464 -17.045 -3.532 1.00 0.00 N ATOM 1291 CA SER A 81 -3.420 -17.537 -4.426 1.00 0.00 C ATOM 1292 C SER A 81 -2.792 -18.819 -3.885 1.00 0.00 C ATOM 1293 O SER A 81 -3.056 -19.912 -4.387 1.00 0.00 O ATOM 1294 CB SER A 81 -2.341 -16.470 -4.618 1.00 0.00 C ATOM 1295 OG SER A 81 -2.806 -15.419 -5.448 1.00 0.00 O ATOM 0 H SER A 81 -4.343 -16.077 -3.234 1.00 0.00 H new ATOM 0 HA SER A 81 -3.880 -17.760 -5.389 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.045 -16.069 -3.649 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.453 -16.922 -5.060 1.00 0.00 H new ATOM 0 HG SER A 81 -2.275 -15.393 -6.271 1.00 0.00 H new ATOM 1301 N GLY A 82 -1.962 -18.678 -2.857 1.00 0.00 N ATOM 1302 CA GLY A 82 -1.311 -19.833 -2.265 1.00 0.00 C ATOM 1303 C GLY A 82 0.151 -19.940 -2.654 1.00 0.00 C ATOM 1304 O GLY A 82 0.978 -20.392 -1.863 1.00 0.00 O ATOM 0 H GLY A 82 -1.728 -17.785 -2.423 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.391 -19.774 -1.180 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.833 -20.738 -2.575 1.00 0.00 H new ATOM 1308 N LYS A 83 0.467 -19.524 -3.876 1.00 0.00 N ATOM 1309 CA LYS A 83 1.840 -19.576 -4.369 1.00 0.00 C ATOM 1310 C LYS A 83 2.000 -18.722 -5.623 1.00 0.00 C ATOM 1311 O LYS A 83 2.815 -19.028 -6.493 1.00 0.00 O ATOM 1312 CB LYS A 83 2.239 -21.022 -4.668 1.00 0.00 C ATOM 1313 CG LYS A 83 3.739 -21.216 -4.834 1.00 0.00 C ATOM 1314 CD LYS A 83 4.306 -22.141 -3.769 1.00 0.00 C ATOM 1315 CE LYS A 83 5.805 -22.327 -3.931 1.00 0.00 C ATOM 1316 NZ LYS A 83 6.553 -21.061 -3.691 1.00 0.00 N ATOM 0 H LYS A 83 -0.207 -19.148 -4.543 1.00 0.00 H new ATOM 0 HA LYS A 83 2.495 -19.177 -3.594 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.885 -21.663 -3.860 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.736 -21.349 -5.578 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.946 -21.628 -5.822 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.239 -20.249 -4.781 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.094 -21.732 -2.781 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.810 -23.110 -3.826 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.153 -23.091 -3.236 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.019 -22.690 -4.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.508 -21.283 -3.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.623 -20.525 -4.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.051 -20.490 -2.981 1.00 0.00 H new ATOM 1330 N ASN A 84 1.219 -17.649 -5.706 1.00 0.00 N ATOM 1331 CA ASN A 84 1.276 -16.750 -6.853 1.00 0.00 C ATOM 1332 C ASN A 84 0.290 -15.596 -6.689 1.00 0.00 C ATOM 1333 O ASN A 84 -0.707 -15.511 -7.407 1.00 0.00 O ATOM 1334 CB ASN A 84 0.979 -17.514 -8.145 1.00 0.00 C ATOM 1335 CG ASN A 84 1.770 -16.985 -9.324 1.00 0.00 C ATOM 1336 OD1 ASN A 84 1.696 -15.802 -9.657 1.00 0.00 O ATOM 1337 ND2 ASN A 84 2.536 -17.862 -9.964 1.00 0.00 N ATOM 0 H ASN A 84 0.540 -17.381 -4.993 1.00 0.00 H new ATOM 0 HA ASN A 84 2.283 -16.338 -6.910 1.00 0.00 H new ATOM 0 HB2 ASN A 84 1.209 -18.570 -8.001 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -0.086 -17.448 -8.366 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.093 -17.564 -10.765 1.00 0.00 H new ATOM 0 HD22 ASN A 84 2.568 -18.833 -9.654 1.00 0.00 H new ATOM 1344 N ALA A 85 0.574 -14.710 -5.742 1.00 0.00 N ATOM 1345 CA ALA A 85 -0.287 -13.562 -5.486 1.00 0.00 C ATOM 1346 C ALA A 85 0.287 -12.300 -6.117 1.00 0.00 C ATOM 1347 O ALA A 85 1.290 -11.760 -5.647 1.00 0.00 O ATOM 1348 CB ALA A 85 -0.475 -13.368 -3.988 1.00 0.00 C ATOM 0 H ALA A 85 1.394 -14.765 -5.138 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.259 -13.756 -5.940 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.120 -12.507 -3.811 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -0.934 -14.260 -3.560 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.494 -13.198 -3.519 1.00 0.00 H new ATOM 1354 N LYS A 86 -0.349 -11.833 -7.185 1.00 0.00 N ATOM 1355 CA LYS A 86 0.107 -10.635 -7.879 1.00 0.00 C ATOM 1356 C LYS A 86 -0.656 -9.402 -7.403 1.00 0.00 C ATOM 1357 O LYS A 86 -1.878 -9.433 -7.247 1.00 0.00 O ATOM 1358 CB LYS A 86 -0.044 -10.804 -9.395 1.00 0.00 C ATOM 1359 CG LYS A 86 -1.433 -10.471 -9.921 1.00 0.00 C ATOM 1360 CD LYS A 86 -1.716 -11.182 -11.234 1.00 0.00 C ATOM 1361 CE LYS A 86 -2.447 -10.277 -12.212 1.00 0.00 C ATOM 1362 NZ LYS A 86 -3.912 -10.546 -12.231 1.00 0.00 N ATOM 0 H LYS A 86 -1.180 -12.265 -7.589 1.00 0.00 H new ATOM 0 HA LYS A 86 1.162 -10.491 -7.646 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.685 -10.167 -9.895 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.197 -11.833 -9.661 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.181 -10.757 -9.182 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.521 -9.394 -10.063 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.778 -11.516 -11.677 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.314 -12.073 -11.045 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.273 -9.235 -11.942 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.039 -10.419 -13.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.177 -10.960 -13.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.153 -11.210 -11.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.430 -9.655 -12.091 1.00 0.00 H new ATOM 1376 N ILE A 87 0.076 -8.316 -7.181 1.00 0.00 N ATOM 1377 CA ILE A 87 -0.523 -7.069 -6.727 1.00 0.00 C ATOM 1378 C ILE A 87 -0.060 -5.898 -7.588 1.00 0.00 C ATOM 1379 O ILE A 87 1.133 -5.731 -7.839 1.00 0.00 O ATOM 1380 CB ILE A 87 -0.174 -6.781 -5.255 1.00 0.00 C ATOM 1381 CG1 ILE A 87 -0.451 -8.014 -4.395 1.00 0.00 C ATOM 1382 CG2 ILE A 87 -0.963 -5.584 -4.749 1.00 0.00 C ATOM 1383 CD1 ILE A 87 0.050 -7.882 -2.973 1.00 0.00 C ATOM 0 H ILE A 87 1.087 -8.275 -7.309 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.603 -7.182 -6.818 1.00 0.00 H new ATOM 0 HB ILE A 87 0.888 -6.545 -5.186 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.525 -8.202 -4.378 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.017 -8.883 -4.858 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.706 -5.393 -3.707 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.720 -4.708 -5.350 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.030 -5.792 -4.827 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.180 -8.793 -2.420 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.129 -7.725 -2.980 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.437 -7.033 -2.493 1.00 0.00 H new ATOM 1395 N THR A 88 -1.013 -5.092 -8.039 1.00 0.00 N ATOM 1396 CA THR A 88 -0.704 -3.937 -8.875 1.00 0.00 C ATOM 1397 C THR A 88 -0.662 -2.660 -8.041 1.00 0.00 C ATOM 1398 O THR A 88 -1.627 -2.323 -7.353 1.00 0.00 O ATOM 1399 CB THR A 88 -1.739 -3.804 -9.995 1.00 0.00 C ATOM 1400 OG1 THR A 88 -2.551 -4.962 -10.074 1.00 0.00 O ATOM 1401 CG2 THR A 88 -1.118 -3.592 -11.357 1.00 0.00 C ATOM 0 H THR A 88 -2.006 -5.216 -7.841 1.00 0.00 H new ATOM 0 HA THR A 88 0.280 -4.088 -9.319 1.00 0.00 H new ATOM 0 HB THR A 88 -2.330 -2.925 -9.736 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.885 -5.066 -10.990 1.00 0.00 H new ATOM 0 HG21 THR A 88 -1.905 -3.506 -12.106 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.524 -2.678 -11.348 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.477 -4.439 -11.600 1.00 0.00 H new ATOM 1409 N ILE A 89 0.465 -1.955 -8.102 1.00 0.00 N ATOM 1410 CA ILE A 89 0.632 -0.718 -7.344 1.00 0.00 C ATOM 1411 C ILE A 89 1.276 0.373 -8.192 1.00 0.00 C ATOM 1412 O ILE A 89 1.922 0.089 -9.200 1.00 0.00 O ATOM 1413 CB ILE A 89 1.496 -0.948 -6.090 1.00 0.00 C ATOM 1414 CG1 ILE A 89 2.809 -1.636 -6.467 1.00 0.00 C ATOM 1415 CG2 ILE A 89 0.733 -1.775 -5.065 1.00 0.00 C ATOM 1416 CD1 ILE A 89 3.836 -0.695 -7.061 1.00 0.00 C ATOM 0 H ILE A 89 1.273 -2.218 -8.666 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.365 -0.396 -7.044 1.00 0.00 H new ATOM 0 HB ILE A 89 1.730 0.020 -5.646 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.231 -2.108 -5.579 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.601 -2.432 -7.182 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.357 -1.929 -4.185 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.177 -1.248 -4.777 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.472 -2.741 -5.498 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.741 -1.251 -7.304 1.00 0.00 H new ATOM 0 HD12 ILE A 89 3.434 -0.242 -7.967 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.073 0.087 -6.340 1.00 0.00 H new ATOM 1428 N ARG A 90 1.101 1.626 -7.773 1.00 0.00 N ATOM 1429 CA ARG A 90 1.673 2.756 -8.496 1.00 0.00 C ATOM 1430 C ARG A 90 2.610 3.566 -7.607 1.00 0.00 C ATOM 1431 O ARG A 90 2.281 3.888 -6.465 1.00 0.00 O ATOM 1432 CB ARG A 90 0.569 3.664 -9.046 1.00 0.00 C ATOM 1433 CG ARG A 90 -0.529 2.915 -9.775 1.00 0.00 C ATOM 1434 CD ARG A 90 -1.722 2.646 -8.875 1.00 0.00 C ATOM 1435 NE ARG A 90 -2.576 3.821 -8.725 1.00 0.00 N ATOM 1436 CZ ARG A 90 -3.538 4.156 -9.583 1.00 0.00 C ATOM 1437 NH1 ARG A 90 -3.757 3.422 -10.666 1.00 0.00 N ATOM 1438 NH2 ARG A 90 -4.279 5.232 -9.358 1.00 0.00 N ATOM 0 H ARG A 90 0.570 1.881 -6.940 1.00 0.00 H new ATOM 0 HA ARG A 90 2.249 2.352 -9.328 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.128 4.225 -8.222 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.014 4.391 -9.725 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.850 3.494 -10.641 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -0.137 1.970 -10.151 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.307 1.824 -9.287 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.370 2.327 -7.894 1.00 0.00 H new ATOM 0 HE ARG A 90 -2.427 4.421 -7.914 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.187 2.595 -10.846 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.495 3.684 -11.319 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.112 5.802 -8.529 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.016 5.490 -10.014 1.00 0.00 H new ATOM 1452 N ARG A 91 3.781 3.896 -8.145 1.00 0.00 N ATOM 1453 CA ARG A 91 4.773 4.674 -7.413 1.00 0.00 C ATOM 1454 C ARG A 91 5.587 5.548 -8.365 1.00 0.00 C ATOM 1455 O ARG A 91 5.644 5.285 -9.567 1.00 0.00 O ATOM 1456 CB ARG A 91 5.710 3.756 -6.616 1.00 0.00 C ATOM 1457 CG ARG A 91 5.628 2.288 -7.009 1.00 0.00 C ATOM 1458 CD ARG A 91 6.160 2.056 -8.414 1.00 0.00 C ATOM 1459 NE ARG A 91 7.620 2.075 -8.456 1.00 0.00 N ATOM 1460 CZ ARG A 91 8.386 1.049 -8.089 1.00 0.00 C ATOM 1461 NH1 ARG A 91 7.835 -0.077 -7.652 1.00 0.00 N ATOM 1462 NH2 ARG A 91 9.706 1.150 -8.160 1.00 0.00 N ATOM 0 H ARG A 91 4.066 3.635 -9.089 1.00 0.00 H new ATOM 0 HA ARG A 91 4.240 5.319 -6.715 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.736 4.099 -6.749 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.477 3.850 -5.555 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.198 1.688 -6.300 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.593 1.952 -6.951 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.799 1.097 -8.785 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.768 2.823 -9.081 1.00 0.00 H new ATOM 0 HE ARG A 91 8.080 2.924 -8.786 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.820 -0.160 -7.596 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.427 -0.859 -7.372 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.134 2.013 -8.495 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.293 0.365 -7.879 1.00 0.00 H new