USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 582 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 54 SER OG : rot -178:sc= 0.579 USER MOD Set 1.2: A 76 SER OG : rot 131:sc= 0.534 USER MOD Set 2.1: A 70 ASN : amide:sc= 0.757 K(o=-1.4,f=-5.2!) USER MOD Set 2.2: A 73 LYS NZ :NH3+ 164:sc= -1.47 (180deg=-0.304) USER MOD Set 2.3: A 75 HIS : no HD1:sc= -0.703 K(o=-1.4,f=-7.7) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 10 GLN : amide:sc= -0.0171 K(o=-0.017,f=-1.7!) USER MOD Single : A 12 MET CE :methyl 179:sc= -0.202 (180deg=-0.229) USER MOD Single : A 14 THR OG1 : rot -93:sc= 0.757 USER MOD Single : A 15 SER OG : rot 103:sc= 1.13 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.0787 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN :FLIP amide:sc= -2.23! C(o=-3.1!,f=-2.2!) USER MOD Single : A 42 SER OG : rot -57:sc= 0.812 USER MOD Single : A 47 ASN : amide:sc= -0.0526 K(o=-0.053,f=-1.8!) USER MOD Single : A 50 HIS : no HD1:sc= -0.118 K(o=-0.12,f=-0.73) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 56 MET CE :methyl -132:sc= 0 (180deg=-0.0343) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 162:sc= -0.0703 (180deg=-0.509) USER MOD Single : A 64 THR OG1 : rot 152:sc= 0.39 USER MOD Single : A 66 GLN : amide:sc= -4.49! C(o=-4.5!,f=-6!) USER MOD Single : A 68 SER OG : rot -180:sc= 0.0972 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 110 N HIS A 7 -9.222 -12.742 5.362 1.00 0.00 N ATOM 111 CA HIS A 7 -8.594 -13.319 4.140 1.00 0.00 C ATOM 112 C HIS A 7 -7.061 -13.321 4.312 1.00 0.00 C ATOM 113 O HIS A 7 -6.530 -12.499 5.033 1.00 0.00 O ATOM 114 CB HIS A 7 -8.980 -12.452 2.933 1.00 0.00 C ATOM 115 CG HIS A 7 -10.453 -12.604 2.649 1.00 0.00 C ATOM 116 ND1 HIS A 7 -11.417 -11.885 3.338 1.00 0.00 N ATOM 117 CD2 HIS A 7 -11.137 -13.390 1.755 1.00 0.00 C ATOM 118 CE1 HIS A 7 -12.617 -12.249 2.851 1.00 0.00 C ATOM 119 NE2 HIS A 7 -12.504 -13.164 1.883 1.00 0.00 N ATOM 0 HA HIS A 7 -8.939 -14.341 3.984 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -8.744 -11.407 3.133 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -8.399 -12.748 2.060 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -10.683 -14.079 1.058 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -13.558 -11.850 3.200 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -13.257 -13.602 1.353 1.00 0.00 H new ATOM 127 N PRO A 8 -6.338 -14.218 3.660 1.00 0.00 N ATOM 128 CA PRO A 8 -4.848 -14.254 3.782 1.00 0.00 C ATOM 129 C PRO A 8 -4.222 -12.858 3.609 1.00 0.00 C ATOM 130 O PRO A 8 -4.576 -12.113 2.718 1.00 0.00 O ATOM 131 CB PRO A 8 -4.397 -15.196 2.641 1.00 0.00 C ATOM 132 CG PRO A 8 -5.588 -16.067 2.333 1.00 0.00 C ATOM 133 CD PRO A 8 -6.846 -15.288 2.769 1.00 0.00 C ATOM 0 HA PRO A 8 -4.532 -14.595 4.768 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.091 -14.628 1.763 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.541 -15.798 2.946 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.629 -16.301 1.269 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.519 -17.016 2.865 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.371 -14.871 1.909 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.551 -15.935 3.290 1.00 0.00 H new ATOM 141 N LEU A 9 -3.295 -12.509 4.458 1.00 0.00 N ATOM 142 CA LEU A 9 -2.642 -11.174 4.346 1.00 0.00 C ATOM 143 C LEU A 9 -1.877 -11.098 3.022 1.00 0.00 C ATOM 144 O LEU A 9 -1.912 -10.101 2.330 1.00 0.00 O ATOM 145 CB LEU A 9 -1.656 -10.993 5.506 1.00 0.00 C ATOM 146 CG LEU A 9 -2.403 -10.945 6.854 1.00 0.00 C ATOM 147 CD1 LEU A 9 -1.378 -11.011 7.996 1.00 0.00 C ATOM 148 CD2 LEU A 9 -3.243 -9.647 6.986 1.00 0.00 C ATOM 0 H LEU A 9 -2.961 -13.092 5.226 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.400 -10.391 4.382 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.938 -11.813 5.511 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.088 -10.073 5.367 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.084 -11.795 6.905 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.898 -10.978 8.954 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.811 -11.939 7.923 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.697 -10.163 7.923 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.758 -9.643 7.947 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.585 -8.780 6.923 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.977 -9.605 6.181 1.00 0.00 H new ATOM 160 N GLN A 10 -1.182 -12.145 2.667 1.00 0.00 N ATOM 161 CA GLN A 10 -0.405 -12.128 1.394 1.00 0.00 C ATOM 162 C GLN A 10 -1.357 -11.900 0.220 1.00 0.00 C ATOM 163 O GLN A 10 -1.117 -11.072 -0.637 1.00 0.00 O ATOM 164 CB GLN A 10 0.303 -13.477 1.222 1.00 0.00 C ATOM 165 CG GLN A 10 1.162 -13.455 -0.045 1.00 0.00 C ATOM 166 CD GLN A 10 2.005 -14.727 -0.123 1.00 0.00 C ATOM 167 OE1 GLN A 10 2.151 -15.436 0.853 1.00 0.00 O ATOM 168 NE2 GLN A 10 2.574 -15.044 -1.252 1.00 0.00 N ATOM 0 H GLN A 10 -1.119 -13.011 3.203 1.00 0.00 H new ATOM 0 HA GLN A 10 0.332 -11.326 1.423 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.927 -13.684 2.092 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.433 -14.279 1.159 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.525 -13.376 -0.926 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.810 -12.578 -0.041 1.00 0.00 H new ATOM 0 HE21 GLN A 10 2.451 -14.448 -2.070 1.00 0.00 H new ATOM 0 HE22 GLN A 10 3.143 -15.888 -1.317 1.00 0.00 H new ATOM 177 N ASP A 11 -2.437 -12.627 0.177 1.00 0.00 N ATOM 178 CA ASP A 11 -3.409 -12.452 -0.935 1.00 0.00 C ATOM 179 C ASP A 11 -4.053 -11.066 -0.845 1.00 0.00 C ATOM 180 O ASP A 11 -4.358 -10.444 -1.843 1.00 0.00 O ATOM 181 CB ASP A 11 -4.495 -13.532 -0.835 1.00 0.00 C ATOM 182 CG ASP A 11 -5.346 -13.535 -2.109 1.00 0.00 C ATOM 183 OD1 ASP A 11 -4.794 -13.791 -3.166 1.00 0.00 O ATOM 184 OD2 ASP A 11 -6.534 -13.283 -2.002 1.00 0.00 O ATOM 0 H ASP A 11 -2.689 -13.336 0.866 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.890 -12.544 -1.889 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.035 -14.510 -0.692 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.126 -13.346 0.034 1.00 0.00 H new ATOM 189 N MET A 12 -4.280 -10.587 0.348 1.00 0.00 N ATOM 190 CA MET A 12 -4.924 -9.254 0.512 1.00 0.00 C ATOM 191 C MET A 12 -4.039 -8.156 -0.092 1.00 0.00 C ATOM 192 O MET A 12 -4.497 -7.343 -0.872 1.00 0.00 O ATOM 193 CB MET A 12 -5.136 -8.988 2.007 1.00 0.00 C ATOM 194 CG MET A 12 -5.861 -7.653 2.211 1.00 0.00 C ATOM 195 SD MET A 12 -6.244 -7.448 3.969 1.00 0.00 S ATOM 196 CE MET A 12 -7.227 -5.937 3.816 1.00 0.00 C ATOM 0 H MET A 12 -4.046 -11.064 1.219 1.00 0.00 H new ATOM 0 HA MET A 12 -5.883 -9.248 -0.007 1.00 0.00 H new ATOM 0 HB2 MET A 12 -5.718 -9.797 2.449 1.00 0.00 H new ATOM 0 HB3 MET A 12 -4.175 -8.970 2.520 1.00 0.00 H new ATOM 0 HG2 MET A 12 -5.237 -6.830 1.864 1.00 0.00 H new ATOM 0 HG3 MET A 12 -6.777 -7.629 1.621 1.00 0.00 H new ATOM 0 HE1 MET A 12 -7.587 -5.636 4.800 1.00 0.00 H new ATOM 0 HE2 MET A 12 -6.610 -5.142 3.397 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.077 -6.121 3.159 1.00 0.00 H new ATOM 206 N PHE A 13 -2.778 -8.113 0.260 1.00 0.00 N ATOM 207 CA PHE A 13 -1.888 -7.051 -0.305 1.00 0.00 C ATOM 208 C PHE A 13 -1.651 -7.295 -1.799 1.00 0.00 C ATOM 209 O PHE A 13 -1.769 -6.399 -2.605 1.00 0.00 O ATOM 210 CB PHE A 13 -0.532 -7.053 0.424 1.00 0.00 C ATOM 211 CG PHE A 13 -0.702 -6.546 1.848 1.00 0.00 C ATOM 212 CD1 PHE A 13 -1.043 -5.204 2.063 1.00 0.00 C ATOM 213 CD2 PHE A 13 -0.519 -7.403 2.946 1.00 0.00 C ATOM 214 CE1 PHE A 13 -1.200 -4.721 3.367 1.00 0.00 C ATOM 215 CE2 PHE A 13 -0.675 -6.917 4.248 1.00 0.00 C ATOM 216 CZ PHE A 13 -1.016 -5.576 4.458 1.00 0.00 C ATOM 0 H PHE A 13 -2.329 -8.760 0.908 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.377 -6.086 -0.168 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.118 -8.061 0.436 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.178 -6.423 -0.112 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.185 -4.542 1.222 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.258 -8.438 2.784 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.464 -3.687 3.531 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.532 -7.576 5.091 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.137 -5.201 5.464 1.00 0.00 H new ATOM 226 N THR A 14 -1.302 -8.492 -2.174 1.00 0.00 N ATOM 227 CA THR A 14 -1.036 -8.767 -3.616 1.00 0.00 C ATOM 228 C THR A 14 -2.291 -8.493 -4.448 1.00 0.00 C ATOM 229 O THR A 14 -2.223 -7.902 -5.505 1.00 0.00 O ATOM 230 CB THR A 14 -0.620 -10.231 -3.783 1.00 0.00 C ATOM 231 OG1 THR A 14 -1.626 -11.065 -3.237 1.00 0.00 O ATOM 232 CG2 THR A 14 0.706 -10.482 -3.057 1.00 0.00 C ATOM 0 H THR A 14 -1.189 -9.290 -1.549 1.00 0.00 H new ATOM 0 HA THR A 14 -0.235 -8.114 -3.962 1.00 0.00 H new ATOM 0 HB THR A 14 -0.492 -10.454 -4.842 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.412 -11.267 -2.302 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.996 -11.525 -3.180 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.479 -9.839 -3.478 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.588 -10.261 -1.996 1.00 0.00 H new ATOM 240 N SER A 15 -3.432 -8.922 -3.989 1.00 0.00 N ATOM 241 CA SER A 15 -4.680 -8.688 -4.770 1.00 0.00 C ATOM 242 C SER A 15 -4.918 -7.185 -4.948 1.00 0.00 C ATOM 243 O SER A 15 -5.263 -6.727 -6.020 1.00 0.00 O ATOM 244 CB SER A 15 -5.864 -9.305 -4.026 1.00 0.00 C ATOM 245 OG SER A 15 -5.675 -10.710 -3.931 1.00 0.00 O ATOM 0 H SER A 15 -3.556 -9.423 -3.109 1.00 0.00 H new ATOM 0 HA SER A 15 -4.578 -9.150 -5.752 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.950 -8.869 -3.031 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.793 -9.086 -4.552 1.00 0.00 H new ATOM 0 HG SER A 15 -5.375 -10.939 -3.027 1.00 0.00 H new ATOM 251 N ALA A 16 -4.749 -6.415 -3.908 1.00 0.00 N ATOM 252 CA ALA A 16 -4.981 -4.945 -4.022 1.00 0.00 C ATOM 253 C ALA A 16 -3.896 -4.296 -4.887 1.00 0.00 C ATOM 254 O ALA A 16 -4.172 -3.437 -5.697 1.00 0.00 O ATOM 255 CB ALA A 16 -4.957 -4.316 -2.626 1.00 0.00 C ATOM 0 H ALA A 16 -4.461 -6.739 -2.985 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.952 -4.779 -4.489 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.126 -3.242 -2.708 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.740 -4.761 -2.013 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.987 -4.496 -2.162 1.00 0.00 H new ATOM 261 N ILE A 17 -2.662 -4.689 -4.712 1.00 0.00 N ATOM 262 CA ILE A 17 -1.564 -4.075 -5.514 1.00 0.00 C ATOM 263 C ILE A 17 -1.764 -4.389 -6.999 1.00 0.00 C ATOM 264 O ILE A 17 -1.647 -3.525 -7.842 1.00 0.00 O ATOM 265 CB ILE A 17 -0.219 -4.657 -5.035 1.00 0.00 C ATOM 266 CG1 ILE A 17 0.068 -4.167 -3.602 1.00 0.00 C ATOM 267 CG2 ILE A 17 0.930 -4.216 -5.969 1.00 0.00 C ATOM 268 CD1 ILE A 17 1.218 -4.982 -2.989 1.00 0.00 C ATOM 0 H ILE A 17 -2.368 -5.407 -4.050 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.570 -2.993 -5.382 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.283 -5.745 -5.051 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.328 -3.109 -3.616 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.827 -4.267 -2.988 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.870 -4.637 -5.613 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.733 -4.571 -6.981 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.998 -3.128 -5.973 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.414 -4.629 -1.976 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.941 -6.036 -2.959 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.115 -4.859 -3.596 1.00 0.00 H new ATOM 280 N GLU A 18 -2.055 -5.616 -7.323 1.00 0.00 N ATOM 281 CA GLU A 18 -2.239 -5.983 -8.755 1.00 0.00 C ATOM 282 C GLU A 18 -3.454 -5.255 -9.330 1.00 0.00 C ATOM 283 O GLU A 18 -3.479 -4.889 -10.489 1.00 0.00 O ATOM 284 CB GLU A 18 -2.441 -7.498 -8.871 1.00 0.00 C ATOM 285 CG GLU A 18 -1.162 -8.234 -8.447 1.00 0.00 C ATOM 286 CD GLU A 18 -0.045 -7.974 -9.463 1.00 0.00 C ATOM 287 OE1 GLU A 18 -0.362 -7.622 -10.586 1.00 0.00 O ATOM 288 OE2 GLU A 18 1.109 -8.133 -9.098 1.00 0.00 O ATOM 0 H GLU A 18 -2.174 -6.381 -6.659 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.353 -5.690 -9.317 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.275 -7.811 -8.243 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.698 -7.761 -9.897 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.850 -7.898 -7.458 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.356 -9.304 -8.374 1.00 0.00 H new ATOM 295 N ALA A 19 -4.462 -5.043 -8.535 1.00 0.00 N ATOM 296 CA ALA A 19 -5.673 -4.344 -9.045 1.00 0.00 C ATOM 297 C ALA A 19 -5.320 -2.906 -9.434 1.00 0.00 C ATOM 298 O ALA A 19 -5.814 -2.386 -10.416 1.00 0.00 O ATOM 299 CB ALA A 19 -6.746 -4.331 -7.957 1.00 0.00 C ATOM 0 H ALA A 19 -4.501 -5.323 -7.555 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.048 -4.869 -9.924 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.634 -3.820 -8.328 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.003 -5.355 -7.687 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.367 -3.809 -7.078 1.00 0.00 H new ATOM 305 N VAL A 20 -4.472 -2.254 -8.667 1.00 0.00 N ATOM 306 CA VAL A 20 -4.080 -0.836 -8.978 1.00 0.00 C ATOM 307 C VAL A 20 -2.696 -0.808 -9.638 1.00 0.00 C ATOM 308 O VAL A 20 -2.214 0.239 -10.024 1.00 0.00 O ATOM 309 CB VAL A 20 -4.052 -0.011 -7.681 1.00 0.00 C ATOM 310 CG1 VAL A 20 -5.411 -0.121 -6.985 1.00 0.00 C ATOM 311 CG2 VAL A 20 -2.948 -0.520 -6.742 1.00 0.00 C ATOM 0 H VAL A 20 -4.032 -2.646 -7.834 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.810 -0.407 -9.664 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.845 1.030 -7.927 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.397 0.462 -6.064 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.190 0.262 -7.645 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.616 -1.165 -6.750 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.943 0.076 -5.829 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.135 -1.564 -6.493 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.981 -0.433 -7.237 1.00 0.00 H new ATOM 321 N ALA A 21 -2.053 -1.939 -9.782 1.00 0.00 N ATOM 322 CA ALA A 21 -0.710 -1.941 -10.428 1.00 0.00 C ATOM 323 C ALA A 21 -0.851 -1.438 -11.865 1.00 0.00 C ATOM 324 O ALA A 21 0.096 -0.963 -12.448 1.00 0.00 O ATOM 325 CB ALA A 21 -0.121 -3.356 -10.446 1.00 0.00 C ATOM 0 H ALA A 21 -2.397 -2.851 -9.483 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.043 -1.292 -9.861 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.860 -3.336 -10.922 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.021 -3.722 -9.424 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.782 -4.018 -11.005 1.00 0.00 H new ATOM 331 N ARG A 22 -2.030 -1.550 -12.438 1.00 0.00 N ATOM 332 CA ARG A 22 -2.241 -1.076 -13.844 1.00 0.00 C ATOM 333 C ARG A 22 -1.330 -1.877 -14.797 1.00 0.00 C ATOM 334 O ARG A 22 -1.378 -1.725 -15.999 1.00 0.00 O ATOM 335 CB ARG A 22 -1.930 0.438 -13.914 1.00 0.00 C ATOM 336 CG ARG A 22 -2.443 1.057 -15.229 1.00 0.00 C ATOM 337 CD ARG A 22 -2.119 2.583 -15.287 1.00 0.00 C ATOM 338 NE ARG A 22 -3.346 3.368 -14.913 1.00 0.00 N ATOM 339 CZ ARG A 22 -3.287 4.502 -14.237 1.00 0.00 C ATOM 340 NH1 ARG A 22 -2.212 4.857 -13.577 1.00 0.00 N ATOM 341 NH2 ARG A 22 -4.358 5.248 -14.177 1.00 0.00 N ATOM 0 H ARG A 22 -2.855 -1.950 -11.990 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.275 -1.235 -14.149 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.392 0.945 -13.067 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.854 0.594 -13.832 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.984 0.551 -16.078 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.519 0.906 -15.312 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.301 2.819 -14.606 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.789 2.858 -16.289 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.260 3.011 -15.192 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.391 4.252 -13.576 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.196 5.739 -13.064 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.214 4.950 -14.646 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.338 6.128 -13.661 1.00 0.00 H new ATOM 355 N ASP A 23 -0.513 -2.753 -14.263 1.00 0.00 N ATOM 356 CA ASP A 23 0.388 -3.576 -15.124 1.00 0.00 C ATOM 357 C ASP A 23 1.130 -4.587 -14.240 1.00 0.00 C ATOM 358 O ASP A 23 0.584 -5.596 -13.841 1.00 0.00 O ATOM 359 CB ASP A 23 1.388 -2.663 -15.855 1.00 0.00 C ATOM 360 CG ASP A 23 1.980 -1.648 -14.873 1.00 0.00 C ATOM 361 OD1 ASP A 23 1.934 -1.907 -13.683 1.00 0.00 O ATOM 362 OD2 ASP A 23 2.470 -0.629 -15.329 1.00 0.00 O ATOM 0 H ASP A 23 -0.433 -2.933 -13.262 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.197 -4.112 -15.872 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.184 -3.262 -16.297 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.889 -2.143 -16.672 1.00 0.00 H new ATOM 367 N SER A 24 2.369 -4.320 -13.916 1.00 0.00 N ATOM 368 CA SER A 24 3.144 -5.251 -13.043 1.00 0.00 C ATOM 369 C SER A 24 4.351 -4.505 -12.472 1.00 0.00 C ATOM 370 O SER A 24 5.407 -4.459 -13.076 1.00 0.00 O ATOM 371 CB SER A 24 3.624 -6.446 -13.866 1.00 0.00 C ATOM 372 OG SER A 24 4.474 -7.255 -13.062 1.00 0.00 O ATOM 0 H SER A 24 2.880 -3.492 -14.221 1.00 0.00 H new ATOM 0 HA SER A 24 2.511 -5.608 -12.231 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.771 -7.028 -14.216 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.159 -6.102 -14.751 1.00 0.00 H new ATOM 0 HG SER A 24 4.784 -8.024 -13.585 1.00 0.00 H new ATOM 378 N GLY A 25 4.207 -3.916 -11.317 1.00 0.00 N ATOM 379 CA GLY A 25 5.350 -3.170 -10.719 1.00 0.00 C ATOM 380 C GLY A 25 4.944 -2.590 -9.360 1.00 0.00 C ATOM 381 O GLY A 25 4.136 -3.151 -8.649 1.00 0.00 O ATOM 0 H GLY A 25 3.351 -3.919 -10.763 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.206 -3.834 -10.599 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.661 -2.367 -11.388 1.00 0.00 H new ATOM 385 N TRP A 26 5.516 -1.475 -8.998 1.00 0.00 N ATOM 386 CA TRP A 26 5.189 -0.845 -7.687 1.00 0.00 C ATOM 387 C TRP A 26 3.747 -0.331 -7.697 1.00 0.00 C ATOM 388 O TRP A 26 3.029 -0.478 -8.667 1.00 0.00 O ATOM 389 CB TRP A 26 6.150 0.325 -7.436 1.00 0.00 C ATOM 390 CG TRP A 26 7.536 -0.202 -7.231 1.00 0.00 C ATOM 391 CD1 TRP A 26 8.493 -0.274 -8.186 1.00 0.00 C ATOM 392 CD2 TRP A 26 8.133 -0.731 -6.013 1.00 0.00 C ATOM 393 NE1 TRP A 26 9.637 -0.819 -7.631 1.00 0.00 N ATOM 394 CE2 TRP A 26 9.465 -1.117 -6.295 1.00 0.00 C ATOM 395 CE3 TRP A 26 7.652 -0.914 -4.707 1.00 0.00 C ATOM 396 CZ2 TRP A 26 10.289 -1.665 -5.311 1.00 0.00 C ATOM 397 CZ3 TRP A 26 8.478 -1.467 -3.714 1.00 0.00 C ATOM 398 CH2 TRP A 26 9.793 -1.842 -4.017 1.00 0.00 C ATOM 0 H TRP A 26 6.202 -0.969 -9.559 1.00 0.00 H new ATOM 0 HA TRP A 26 5.295 -1.586 -6.895 1.00 0.00 H new ATOM 0 HB2 TRP A 26 6.132 1.012 -8.282 1.00 0.00 H new ATOM 0 HB3 TRP A 26 5.831 0.890 -6.560 1.00 0.00 H new ATOM 0 HD1 TRP A 26 8.382 0.042 -9.213 1.00 0.00 H new ATOM 0 HE1 TRP A 26 10.502 -0.981 -8.147 1.00 0.00 H new ATOM 0 HE3 TRP A 26 6.639 -0.628 -4.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 11.303 -1.950 -5.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.097 -1.604 -2.713 1.00 0.00 H new ATOM 0 HH2 TRP A 26 10.423 -2.268 -3.250 1.00 0.00 H new ATOM 409 N ALA A 27 3.321 0.279 -6.620 1.00 0.00 N ATOM 410 CA ALA A 27 1.930 0.813 -6.548 1.00 0.00 C ATOM 411 C ALA A 27 1.864 1.880 -5.451 1.00 0.00 C ATOM 412 O ALA A 27 2.586 1.825 -4.475 1.00 0.00 O ATOM 413 CB ALA A 27 0.967 -0.332 -6.214 1.00 0.00 C ATOM 0 H ALA A 27 3.883 0.430 -5.782 1.00 0.00 H new ATOM 0 HA ALA A 27 1.648 1.254 -7.504 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.051 0.053 -6.160 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.026 -1.095 -6.990 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.241 -0.769 -5.254 1.00 0.00 H new ATOM 419 N GLU A 28 1.002 2.849 -5.602 1.00 0.00 N ATOM 420 CA GLU A 28 0.884 3.921 -4.569 1.00 0.00 C ATOM 421 C GLU A 28 0.106 3.388 -3.363 1.00 0.00 C ATOM 422 O GLU A 28 -0.966 2.832 -3.497 1.00 0.00 O ATOM 423 CB GLU A 28 0.141 5.121 -5.172 1.00 0.00 C ATOM 424 CG GLU A 28 1.002 5.772 -6.267 1.00 0.00 C ATOM 425 CD GLU A 28 1.072 4.856 -7.492 1.00 0.00 C ATOM 426 OE1 GLU A 28 0.192 4.024 -7.641 1.00 0.00 O ATOM 427 OE2 GLU A 28 2.004 5.007 -8.264 1.00 0.00 O ATOM 0 H GLU A 28 0.372 2.946 -6.398 1.00 0.00 H new ATOM 0 HA GLU A 28 1.878 4.230 -4.246 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.812 4.797 -5.591 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.084 5.849 -4.393 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.580 6.737 -6.548 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.006 5.962 -5.887 1.00 0.00 H new ATOM 434 N LEU A 29 0.648 3.538 -2.184 1.00 0.00 N ATOM 435 CA LEU A 29 -0.048 3.023 -0.970 1.00 0.00 C ATOM 436 C LEU A 29 -1.434 3.663 -0.867 1.00 0.00 C ATOM 437 O LEU A 29 -2.397 3.015 -0.510 1.00 0.00 O ATOM 438 CB LEU A 29 0.781 3.379 0.275 1.00 0.00 C ATOM 439 CG LEU A 29 0.139 2.810 1.563 1.00 0.00 C ATOM 440 CD1 LEU A 29 0.167 1.264 1.558 1.00 0.00 C ATOM 441 CD2 LEU A 29 0.922 3.333 2.776 1.00 0.00 C ATOM 0 H LEU A 29 1.543 3.995 -2.009 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.157 1.941 -1.038 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.791 2.985 0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.868 4.462 0.358 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.901 3.132 1.613 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.290 0.889 2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.389 0.893 0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.199 0.919 1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.480 2.940 3.691 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.960 3.009 2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.882 4.422 2.793 1.00 0.00 H new ATOM 453 N SER A 30 -1.548 4.927 -1.171 1.00 0.00 N ATOM 454 CA SER A 30 -2.883 5.593 -1.079 1.00 0.00 C ATOM 455 C SER A 30 -3.898 4.829 -1.932 1.00 0.00 C ATOM 456 O SER A 30 -5.018 4.596 -1.523 1.00 0.00 O ATOM 457 CB SER A 30 -2.764 7.029 -1.594 1.00 0.00 C ATOM 458 OG SER A 30 -2.312 7.003 -2.941 1.00 0.00 O ATOM 0 H SER A 30 -0.781 5.526 -1.477 1.00 0.00 H new ATOM 0 HA SER A 30 -3.217 5.600 -0.041 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.729 7.533 -1.531 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.068 7.594 -0.974 1.00 0.00 H new ATOM 0 HG SER A 30 -2.235 7.920 -3.278 1.00 0.00 H new ATOM 464 N ALA A 31 -3.514 4.428 -3.113 1.00 0.00 N ATOM 465 CA ALA A 31 -4.455 3.672 -3.985 1.00 0.00 C ATOM 466 C ALA A 31 -4.795 2.331 -3.330 1.00 0.00 C ATOM 467 O ALA A 31 -5.912 1.860 -3.395 1.00 0.00 O ATOM 468 CB ALA A 31 -3.801 3.425 -5.346 1.00 0.00 C ATOM 0 H ALA A 31 -2.589 4.592 -3.511 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.369 4.250 -4.120 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.489 2.872 -5.985 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.561 4.380 -5.813 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.887 2.847 -5.211 1.00 0.00 H new ATOM 474 N VAL A 32 -3.834 1.707 -2.704 1.00 0.00 N ATOM 475 CA VAL A 32 -4.097 0.393 -2.050 1.00 0.00 C ATOM 476 C VAL A 32 -5.134 0.573 -0.937 1.00 0.00 C ATOM 477 O VAL A 32 -6.085 -0.175 -0.836 1.00 0.00 O ATOM 478 CB VAL A 32 -2.783 -0.137 -1.457 1.00 0.00 C ATOM 479 CG1 VAL A 32 -3.030 -1.466 -0.726 1.00 0.00 C ATOM 480 CG2 VAL A 32 -1.765 -0.349 -2.587 1.00 0.00 C ATOM 0 H VAL A 32 -2.878 2.051 -2.617 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.482 -0.317 -2.782 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.393 0.589 -0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.092 -1.832 -0.310 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.748 -1.310 0.079 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.426 -2.199 -1.428 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.831 -0.725 -2.169 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.160 -1.071 -3.302 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.581 0.599 -3.093 1.00 0.00 H new ATOM 490 N GLY A 33 -4.951 1.551 -0.093 1.00 0.00 N ATOM 491 CA GLY A 33 -5.922 1.764 1.021 1.00 0.00 C ATOM 492 C GLY A 33 -7.312 2.051 0.452 1.00 0.00 C ATOM 493 O GLY A 33 -8.294 1.463 0.861 1.00 0.00 O ATOM 0 H GLY A 33 -4.174 2.211 -0.125 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -5.956 0.881 1.659 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.596 2.596 1.645 1.00 0.00 H new ATOM 497 N SER A 34 -7.406 2.949 -0.488 1.00 0.00 N ATOM 498 CA SER A 34 -8.734 3.270 -1.083 1.00 0.00 C ATOM 499 C SER A 34 -9.292 2.031 -1.785 1.00 0.00 C ATOM 500 O SER A 34 -10.464 1.725 -1.688 1.00 0.00 O ATOM 501 CB SER A 34 -8.578 4.404 -2.094 1.00 0.00 C ATOM 502 OG SER A 34 -9.854 4.732 -2.629 1.00 0.00 O ATOM 0 H SER A 34 -6.620 3.475 -0.871 1.00 0.00 H new ATOM 0 HA SER A 34 -9.420 3.579 -0.295 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.136 5.277 -1.614 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.901 4.104 -2.894 1.00 0.00 H new ATOM 0 HG SER A 34 -9.759 5.461 -3.277 1.00 0.00 H new ATOM 508 N TYR A 35 -8.465 1.326 -2.503 1.00 0.00 N ATOM 509 CA TYR A 35 -8.946 0.113 -3.225 1.00 0.00 C ATOM 510 C TYR A 35 -9.504 -0.895 -2.216 1.00 0.00 C ATOM 511 O TYR A 35 -10.559 -1.464 -2.412 1.00 0.00 O ATOM 512 CB TYR A 35 -7.779 -0.518 -3.990 1.00 0.00 C ATOM 513 CG TYR A 35 -8.258 -1.758 -4.720 1.00 0.00 C ATOM 514 CD1 TYR A 35 -8.874 -1.632 -5.971 1.00 0.00 C ATOM 515 CD2 TYR A 35 -8.096 -3.028 -4.147 1.00 0.00 C ATOM 516 CE1 TYR A 35 -9.323 -2.770 -6.649 1.00 0.00 C ATOM 517 CE2 TYR A 35 -8.545 -4.167 -4.827 1.00 0.00 C ATOM 518 CZ TYR A 35 -9.159 -4.038 -6.079 1.00 0.00 C ATOM 519 OH TYR A 35 -9.602 -5.159 -6.749 1.00 0.00 O ATOM 0 H TYR A 35 -7.474 1.537 -2.622 1.00 0.00 H new ATOM 0 HA TYR A 35 -9.732 0.393 -3.927 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.368 0.198 -4.701 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.977 -0.778 -3.299 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -9.003 -0.655 -6.413 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.625 -3.128 -3.180 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.797 -2.670 -7.614 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.418 -5.145 -4.386 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.410 -5.957 -6.214 1.00 0.00 H new ATOM 529 N LEU A 36 -8.804 -1.123 -1.139 1.00 0.00 N ATOM 530 CA LEU A 36 -9.298 -2.100 -0.128 1.00 0.00 C ATOM 531 C LEU A 36 -10.639 -1.614 0.428 1.00 0.00 C ATOM 532 O LEU A 36 -11.567 -2.380 0.586 1.00 0.00 O ATOM 533 CB LEU A 36 -8.274 -2.201 1.016 1.00 0.00 C ATOM 534 CG LEU A 36 -6.979 -2.896 0.531 1.00 0.00 C ATOM 535 CD1 LEU A 36 -5.862 -2.656 1.560 1.00 0.00 C ATOM 536 CD2 LEU A 36 -7.194 -4.421 0.358 1.00 0.00 C ATOM 0 H LEU A 36 -7.914 -0.677 -0.916 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.429 -3.079 -0.590 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.040 -1.204 1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.704 -2.760 1.847 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.703 -2.475 -0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.947 -3.143 1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.686 -1.585 1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.160 -3.069 2.524 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.268 -4.883 0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.487 -4.858 1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.979 -4.597 -0.377 1.00 0.00 H new ATOM 548 N ALA A 37 -10.753 -0.348 0.716 1.00 0.00 N ATOM 549 CA ALA A 37 -12.040 0.172 1.257 1.00 0.00 C ATOM 550 C ALA A 37 -13.155 -0.094 0.242 1.00 0.00 C ATOM 551 O ALA A 37 -14.252 -0.481 0.596 1.00 0.00 O ATOM 552 CB ALA A 37 -11.919 1.678 1.507 1.00 0.00 C ATOM 0 H ALA A 37 -10.015 0.347 0.601 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.274 -0.329 2.196 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -12.861 2.058 1.903 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -11.122 1.865 2.226 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.688 2.185 0.570 1.00 0.00 H new ATOM 558 N LYS A 38 -12.882 0.108 -1.017 1.00 0.00 N ATOM 559 CA LYS A 38 -13.922 -0.132 -2.058 1.00 0.00 C ATOM 560 C LYS A 38 -14.315 -1.614 -2.060 1.00 0.00 C ATOM 561 O LYS A 38 -15.477 -1.956 -2.121 1.00 0.00 O ATOM 562 CB LYS A 38 -13.358 0.254 -3.428 1.00 0.00 C ATOM 563 CG LYS A 38 -14.448 0.134 -4.498 1.00 0.00 C ATOM 564 CD LYS A 38 -13.888 0.595 -5.844 1.00 0.00 C ATOM 565 CE LYS A 38 -14.975 0.493 -6.915 1.00 0.00 C ATOM 566 NZ LYS A 38 -14.432 0.962 -8.220 1.00 0.00 N ATOM 0 H LYS A 38 -11.981 0.430 -1.371 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.804 0.471 -1.842 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.977 1.275 -3.399 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.518 -0.393 -3.680 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.792 -0.898 -4.569 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.311 0.740 -4.224 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.533 1.623 -5.769 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.031 -0.019 -6.122 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.320 -0.537 -7.002 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.838 1.095 -6.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.171 0.893 -8.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.124 1.951 -8.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.621 0.370 -8.492 1.00 0.00 H new ATOM 580 N ASN A 39 -13.349 -2.497 -1.998 1.00 0.00 N ATOM 581 CA ASN A 39 -13.655 -3.966 -1.999 1.00 0.00 C ATOM 582 C ASN A 39 -13.846 -4.442 -0.557 1.00 0.00 C ATOM 583 O ASN A 39 -14.072 -5.608 -0.299 1.00 0.00 O ATOM 584 CB ASN A 39 -12.484 -4.723 -2.632 1.00 0.00 C ATOM 585 CG ASN A 39 -12.390 -4.366 -4.118 1.00 0.00 C ATOM 586 OD1 ASN A 39 -11.393 -3.638 -4.538 1.00 0.00 O flip ATOM 587 ND2 ASN A 39 -13.233 -4.753 -4.901 1.00 0.00 N flip ATOM 0 H ASN A 39 -12.357 -2.265 -1.946 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.565 -4.153 -2.570 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.554 -4.465 -2.125 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.625 -5.797 -2.513 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -14.012 -5.322 -4.571 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -13.162 -4.509 -5.889 1.00 0.00 H new ATOM 594 N ASP A 40 -13.761 -3.543 0.385 1.00 0.00 N ATOM 595 CA ASP A 40 -13.939 -3.922 1.818 1.00 0.00 C ATOM 596 C ASP A 40 -14.216 -2.649 2.630 1.00 0.00 C ATOM 597 O ASP A 40 -13.352 -2.175 3.338 1.00 0.00 O ATOM 598 CB ASP A 40 -12.655 -4.595 2.337 1.00 0.00 C ATOM 599 CG ASP A 40 -12.908 -5.218 3.715 1.00 0.00 C ATOM 600 OD1 ASP A 40 -14.059 -5.285 4.117 1.00 0.00 O ATOM 601 OD2 ASP A 40 -11.945 -5.621 4.345 1.00 0.00 O ATOM 0 H ASP A 40 -13.574 -2.553 0.223 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.772 -4.618 1.919 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.329 -5.363 1.636 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.851 -3.861 2.403 1.00 0.00 H new ATOM 606 N PRO A 41 -15.401 -2.077 2.525 1.00 0.00 N ATOM 607 CA PRO A 41 -15.730 -0.827 3.271 1.00 0.00 C ATOM 608 C PRO A 41 -15.778 -1.077 4.784 1.00 0.00 C ATOM 609 O PRO A 41 -15.739 -0.158 5.577 1.00 0.00 O ATOM 610 CB PRO A 41 -17.103 -0.398 2.702 1.00 0.00 C ATOM 611 CG PRO A 41 -17.714 -1.661 2.163 1.00 0.00 C ATOM 612 CD PRO A 41 -16.542 -2.545 1.703 1.00 0.00 C ATOM 0 HA PRO A 41 -14.978 -0.048 3.143 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -17.730 0.044 3.476 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -16.989 0.351 1.918 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -18.304 -2.165 2.928 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -18.387 -1.444 1.333 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -16.749 -3.602 1.871 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -16.344 -2.424 0.638 1.00 0.00 H new ATOM 620 N SER A 42 -15.837 -2.317 5.187 1.00 0.00 N ATOM 621 CA SER A 42 -15.858 -2.628 6.647 1.00 0.00 C ATOM 622 C SER A 42 -14.449 -2.426 7.208 1.00 0.00 C ATOM 623 O SER A 42 -14.230 -2.464 8.402 1.00 0.00 O ATOM 624 CB SER A 42 -16.282 -4.083 6.853 1.00 0.00 C ATOM 625 OG SER A 42 -15.334 -4.942 6.232 1.00 0.00 O ATOM 0 H SER A 42 -15.872 -3.128 4.570 1.00 0.00 H new ATOM 0 HA SER A 42 -16.563 -1.973 7.158 1.00 0.00 H new ATOM 0 HB2 SER A 42 -16.350 -4.307 7.918 1.00 0.00 H new ATOM 0 HB3 SER A 42 -17.272 -4.249 6.429 1.00 0.00 H new ATOM 0 HG SER A 42 -15.263 -4.718 5.281 1.00 0.00 H new ATOM 631 N PHE A 43 -13.489 -2.217 6.345 1.00 0.00 N ATOM 632 CA PHE A 43 -12.084 -2.017 6.811 1.00 0.00 C ATOM 633 C PHE A 43 -11.954 -0.633 7.455 1.00 0.00 C ATOM 634 O PHE A 43 -12.535 0.331 6.995 1.00 0.00 O ATOM 635 CB PHE A 43 -11.129 -2.128 5.619 1.00 0.00 C ATOM 636 CG PHE A 43 -9.701 -1.955 6.103 1.00 0.00 C ATOM 637 CD1 PHE A 43 -9.122 -2.946 6.906 1.00 0.00 C ATOM 638 CD2 PHE A 43 -8.959 -0.816 5.755 1.00 0.00 C ATOM 639 CE1 PHE A 43 -7.807 -2.799 7.363 1.00 0.00 C ATOM 640 CE2 PHE A 43 -7.643 -0.670 6.213 1.00 0.00 C ATOM 641 CZ PHE A 43 -7.068 -1.663 7.016 1.00 0.00 C ATOM 0 H PHE A 43 -13.618 -2.176 5.334 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.830 -2.781 7.545 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.246 -3.097 5.134 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.368 -1.368 4.875 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.691 -3.824 7.173 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.402 -0.052 5.134 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.363 -3.563 7.984 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.072 0.208 5.947 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.053 -1.552 7.368 1.00 0.00 H new ATOM 651 N ASP A 44 -11.199 -0.537 8.526 1.00 0.00 N ATOM 652 CA ASP A 44 -11.011 0.769 9.244 1.00 0.00 C ATOM 653 C ASP A 44 -9.520 1.157 9.246 1.00 0.00 C ATOM 654 O ASP A 44 -8.791 0.774 10.140 1.00 0.00 O ATOM 655 CB ASP A 44 -11.469 0.599 10.695 1.00 0.00 C ATOM 656 CG ASP A 44 -12.973 0.327 10.724 1.00 0.00 C ATOM 657 OD1 ASP A 44 -13.725 1.253 10.478 1.00 0.00 O ATOM 658 OD2 ASP A 44 -13.345 -0.803 10.996 1.00 0.00 O ATOM 0 H ASP A 44 -10.696 -1.322 8.940 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.590 1.545 8.742 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.930 -0.224 11.164 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.240 1.497 11.268 1.00 0.00 H new ATOM 663 N PRO A 45 -9.062 1.927 8.280 1.00 0.00 N ATOM 664 CA PRO A 45 -7.632 2.368 8.227 1.00 0.00 C ATOM 665 C PRO A 45 -7.231 3.138 9.498 1.00 0.00 C ATOM 666 O PRO A 45 -6.066 3.277 9.814 1.00 0.00 O ATOM 667 CB PRO A 45 -7.568 3.293 6.982 1.00 0.00 C ATOM 668 CG PRO A 45 -8.752 2.902 6.145 1.00 0.00 C ATOM 669 CD PRO A 45 -9.834 2.451 7.135 1.00 0.00 C ATOM 0 HA PRO A 45 -6.945 1.524 8.165 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.617 4.344 7.268 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.635 3.155 6.435 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.099 3.741 5.542 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -8.495 2.099 5.455 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -10.477 3.280 7.431 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.479 1.686 6.703 1.00 0.00 H new ATOM 677 N ARG A 46 -8.197 3.633 10.221 1.00 0.00 N ATOM 678 CA ARG A 46 -7.889 4.399 11.462 1.00 0.00 C ATOM 679 C ARG A 46 -7.205 3.470 12.471 1.00 0.00 C ATOM 680 O ARG A 46 -6.310 3.871 13.189 1.00 0.00 O ATOM 681 CB ARG A 46 -9.193 4.963 12.055 1.00 0.00 C ATOM 682 CG ARG A 46 -10.035 5.690 10.978 1.00 0.00 C ATOM 683 CD ARG A 46 -9.316 6.928 10.411 1.00 0.00 C ATOM 684 NE ARG A 46 -9.197 7.972 11.482 1.00 0.00 N ATOM 685 CZ ARG A 46 -8.210 8.842 11.489 1.00 0.00 C ATOM 686 NH1 ARG A 46 -7.229 8.761 10.624 1.00 0.00 N ATOM 687 NH2 ARG A 46 -8.200 9.791 12.386 1.00 0.00 N ATOM 0 H ARG A 46 -9.190 3.540 10.005 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.221 5.228 11.230 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -9.777 4.152 12.490 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.957 5.655 12.863 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.257 4.998 10.166 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.989 5.993 11.409 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.327 6.652 10.046 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.870 7.326 9.561 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.898 8.008 12.222 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.222 8.014 9.929 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.473 9.445 10.645 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.952 9.852 13.072 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.440 10.471 12.401 1.00 0.00 H new ATOM 701 N ASN A 47 -7.606 2.232 12.523 1.00 0.00 N ATOM 702 CA ASN A 47 -6.964 1.286 13.477 1.00 0.00 C ATOM 703 C ASN A 47 -5.487 1.140 13.096 1.00 0.00 C ATOM 704 O ASN A 47 -4.624 1.014 13.943 1.00 0.00 O ATOM 705 CB ASN A 47 -7.656 -0.082 13.398 1.00 0.00 C ATOM 706 CG ASN A 47 -9.063 0.021 13.993 1.00 0.00 C ATOM 707 OD1 ASN A 47 -9.358 0.941 14.729 1.00 0.00 O ATOM 708 ND2 ASN A 47 -9.950 -0.892 13.705 1.00 0.00 N ATOM 0 H ASN A 47 -8.349 1.834 11.948 1.00 0.00 H new ATOM 0 HA ASN A 47 -7.053 1.666 14.495 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -7.712 -0.414 12.361 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -7.074 -0.827 13.940 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -10.889 -0.832 14.098 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -9.704 -1.665 13.087 1.00 0.00 H new ATOM 715 N TRP A 48 -5.193 1.156 11.821 1.00 0.00 N ATOM 716 CA TRP A 48 -3.777 1.023 11.362 1.00 0.00 C ATOM 717 C TRP A 48 -3.060 2.365 11.530 1.00 0.00 C ATOM 718 O TRP A 48 -1.937 2.532 11.105 1.00 0.00 O ATOM 719 CB TRP A 48 -3.764 0.623 9.886 1.00 0.00 C ATOM 720 CG TRP A 48 -4.355 -0.743 9.738 1.00 0.00 C ATOM 721 CD1 TRP A 48 -5.649 -1.057 9.975 1.00 0.00 C ATOM 722 CD2 TRP A 48 -3.704 -1.978 9.321 1.00 0.00 C ATOM 723 NE1 TRP A 48 -5.833 -2.404 9.734 1.00 0.00 N ATOM 724 CE2 TRP A 48 -4.665 -3.015 9.325 1.00 0.00 C ATOM 725 CE3 TRP A 48 -2.388 -2.293 8.939 1.00 0.00 C ATOM 726 CZ2 TRP A 48 -4.331 -4.322 8.971 1.00 0.00 C ATOM 727 CZ3 TRP A 48 -2.049 -3.607 8.580 1.00 0.00 C ATOM 728 CH2 TRP A 48 -3.019 -4.619 8.593 1.00 0.00 C ATOM 0 H TRP A 48 -5.879 1.256 11.072 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.269 0.262 11.954 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -4.332 1.343 9.297 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.743 0.633 9.504 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -6.414 -0.367 10.300 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.724 -2.889 9.845 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -1.634 -1.520 8.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -5.081 -5.099 8.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.034 -3.840 8.292 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.753 -5.627 8.311 1.00 0.00 H new ATOM 739 N GLY A 49 -3.704 3.316 12.149 1.00 0.00 N ATOM 740 CA GLY A 49 -3.065 4.650 12.353 1.00 0.00 C ATOM 741 C GLY A 49 -2.782 5.312 11.001 1.00 0.00 C ATOM 742 O GLY A 49 -2.585 4.648 10.003 1.00 0.00 O ATOM 0 H GLY A 49 -4.648 3.228 12.524 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.718 5.287 12.949 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.136 4.535 12.912 1.00 0.00 H new ATOM 746 N HIS A 50 -2.761 6.620 10.966 1.00 0.00 N ATOM 747 CA HIS A 50 -2.489 7.340 9.685 1.00 0.00 C ATOM 748 C HIS A 50 -0.986 7.319 9.393 1.00 0.00 C ATOM 749 O HIS A 50 -0.172 7.612 10.246 1.00 0.00 O ATOM 750 CB HIS A 50 -2.962 8.791 9.810 1.00 0.00 C ATOM 751 CG HIS A 50 -2.769 9.498 8.497 1.00 0.00 C ATOM 752 ND1 HIS A 50 -1.577 10.120 8.159 1.00 0.00 N ATOM 753 CD2 HIS A 50 -3.608 9.694 7.428 1.00 0.00 C ATOM 754 CE1 HIS A 50 -1.730 10.654 6.934 1.00 0.00 C ATOM 755 NE2 HIS A 50 -2.950 10.424 6.441 1.00 0.00 N ATOM 0 H HIS A 50 -2.921 7.223 11.773 1.00 0.00 H new ATOM 0 HA HIS A 50 -3.023 6.848 8.872 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -4.013 8.818 10.098 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -2.403 9.300 10.595 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -4.625 9.336 7.362 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -0.960 11.202 6.412 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -3.320 10.719 5.537 1.00 0.00 H new ATOM 763 N GLY A 51 -0.612 6.976 8.188 1.00 0.00 N ATOM 764 CA GLY A 51 0.837 6.938 7.828 1.00 0.00 C ATOM 765 C GLY A 51 1.505 5.720 8.476 1.00 0.00 C ATOM 766 O GLY A 51 2.428 5.144 7.935 1.00 0.00 O ATOM 0 H GLY A 51 -1.250 6.720 7.435 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.950 6.892 6.745 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.327 7.853 8.161 1.00 0.00 H new ATOM 770 N ARG A 52 1.048 5.329 9.636 1.00 0.00 N ATOM 771 CA ARG A 52 1.662 4.160 10.325 1.00 0.00 C ATOM 772 C ARG A 52 1.362 2.902 9.507 1.00 0.00 C ATOM 773 O ARG A 52 1.943 1.855 9.712 1.00 0.00 O ATOM 774 CB ARG A 52 1.048 4.045 11.728 1.00 0.00 C ATOM 775 CG ARG A 52 1.775 2.972 12.553 1.00 0.00 C ATOM 776 CD ARG A 52 1.177 2.916 13.970 1.00 0.00 C ATOM 777 NE ARG A 52 2.096 2.142 14.856 1.00 0.00 N ATOM 778 CZ ARG A 52 1.707 1.767 16.049 1.00 0.00 C ATOM 779 NH1 ARG A 52 0.466 1.932 16.422 1.00 0.00 N ATOM 780 NH2 ARG A 52 2.563 1.205 16.858 1.00 0.00 N ATOM 0 H ARG A 52 0.276 5.770 10.135 1.00 0.00 H new ATOM 0 HA ARG A 52 2.742 4.280 10.415 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.110 5.007 12.237 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.010 3.795 11.648 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.680 2.000 12.069 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.840 3.199 12.606 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.039 3.924 14.360 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.194 2.446 13.945 1.00 0.00 H new ATOM 0 HE ARG A 52 3.033 1.904 14.530 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.207 2.355 15.783 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.170 1.638 17.353 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.528 1.060 16.560 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.267 0.910 17.789 1.00 0.00 H new ATOM 794 N LEU A 53 0.472 3.008 8.556 1.00 0.00 N ATOM 795 CA LEU A 53 0.148 1.828 7.708 1.00 0.00 C ATOM 796 C LEU A 53 1.414 1.397 6.969 1.00 0.00 C ATOM 797 O LEU A 53 1.718 0.227 6.875 1.00 0.00 O ATOM 798 CB LEU A 53 -0.949 2.218 6.698 1.00 0.00 C ATOM 799 CG LEU A 53 -1.229 1.081 5.694 1.00 0.00 C ATOM 800 CD1 LEU A 53 -1.644 -0.210 6.428 1.00 0.00 C ATOM 801 CD2 LEU A 53 -2.360 1.528 4.758 1.00 0.00 C ATOM 0 H LEU A 53 -0.043 3.860 8.332 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.213 1.004 8.323 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.866 2.465 7.233 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.644 3.114 6.158 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.323 0.871 5.126 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.836 -0.997 5.699 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.842 -0.522 7.097 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.548 -0.024 7.008 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.572 0.736 4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.255 1.737 5.343 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.056 2.429 4.225 1.00 0.00 H new ATOM 813 N SER A 54 2.157 2.338 6.452 1.00 0.00 N ATOM 814 CA SER A 54 3.410 1.989 5.721 1.00 0.00 C ATOM 815 C SER A 54 4.385 1.302 6.681 1.00 0.00 C ATOM 816 O SER A 54 5.026 0.329 6.346 1.00 0.00 O ATOM 817 CB SER A 54 4.053 3.262 5.171 1.00 0.00 C ATOM 818 OG SER A 54 5.225 2.919 4.444 1.00 0.00 O ATOM 0 H SER A 54 1.950 3.335 6.504 1.00 0.00 H new ATOM 0 HA SER A 54 3.173 1.316 4.897 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.351 3.788 4.524 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.303 3.939 5.988 1.00 0.00 H new ATOM 0 HG SER A 54 5.657 3.735 4.116 1.00 0.00 H new ATOM 824 N GLN A 55 4.505 1.810 7.873 1.00 0.00 N ATOM 825 CA GLN A 55 5.439 1.198 8.859 1.00 0.00 C ATOM 826 C GLN A 55 4.910 -0.171 9.299 1.00 0.00 C ATOM 827 O GLN A 55 5.668 -1.070 9.604 1.00 0.00 O ATOM 828 CB GLN A 55 5.558 2.121 10.075 1.00 0.00 C ATOM 829 CG GLN A 55 6.225 3.432 9.655 1.00 0.00 C ATOM 830 CD GLN A 55 6.281 4.388 10.849 1.00 0.00 C ATOM 831 OE1 GLN A 55 6.689 4.008 11.929 1.00 0.00 O ATOM 832 NE2 GLN A 55 5.886 5.622 10.699 1.00 0.00 N ATOM 0 H GLN A 55 3.995 2.626 8.210 1.00 0.00 H new ATOM 0 HA GLN A 55 6.419 1.066 8.400 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.571 2.320 10.492 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.143 1.637 10.857 1.00 0.00 H new ATOM 0 HG2 GLN A 55 7.232 3.237 9.285 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.668 3.889 8.837 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.544 5.941 9.793 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.920 6.268 11.488 1.00 0.00 H new ATOM 841 N MET A 56 3.615 -0.335 9.347 1.00 0.00 N ATOM 842 CA MET A 56 3.047 -1.646 9.787 1.00 0.00 C ATOM 843 C MET A 56 3.473 -2.751 8.810 1.00 0.00 C ATOM 844 O MET A 56 3.899 -3.814 9.213 1.00 0.00 O ATOM 845 CB MET A 56 1.505 -1.535 9.831 1.00 0.00 C ATOM 846 CG MET A 56 0.898 -2.642 10.709 1.00 0.00 C ATOM 847 SD MET A 56 1.132 -4.259 9.927 1.00 0.00 S ATOM 848 CE MET A 56 0.037 -5.199 11.019 1.00 0.00 C ATOM 0 H MET A 56 2.927 0.377 9.102 1.00 0.00 H new ATOM 0 HA MET A 56 3.421 -1.898 10.780 1.00 0.00 H new ATOM 0 HB2 MET A 56 1.218 -0.558 10.221 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.103 -1.606 8.820 1.00 0.00 H new ATOM 0 HG2 MET A 56 1.367 -2.634 11.693 1.00 0.00 H new ATOM 0 HG3 MET A 56 -0.165 -2.454 10.861 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.546 -6.103 11.355 1.00 0.00 H new ATOM 0 HE2 MET A 56 -0.227 -4.589 11.883 1.00 0.00 H new ATOM 0 HE3 MET A 56 -0.869 -5.472 10.478 1.00 0.00 H new ATOM 858 N VAL A 57 3.360 -2.509 7.532 1.00 0.00 N ATOM 859 CA VAL A 57 3.758 -3.547 6.534 1.00 0.00 C ATOM 860 C VAL A 57 5.283 -3.701 6.546 1.00 0.00 C ATOM 861 O VAL A 57 5.821 -4.732 6.196 1.00 0.00 O ATOM 862 CB VAL A 57 3.276 -3.135 5.134 1.00 0.00 C ATOM 863 CG1 VAL A 57 1.747 -3.215 5.070 1.00 0.00 C ATOM 864 CG2 VAL A 57 3.713 -1.701 4.833 1.00 0.00 C ATOM 0 H VAL A 57 3.009 -1.638 7.134 1.00 0.00 H new ATOM 0 HA VAL A 57 3.299 -4.501 6.794 1.00 0.00 H new ATOM 0 HB VAL A 57 3.712 -3.811 4.398 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.409 -2.922 4.076 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.427 -4.236 5.276 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.316 -2.543 5.812 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.368 -1.416 3.839 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.283 -1.027 5.573 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.800 -1.636 4.872 1.00 0.00 H new ATOM 874 N LYS A 58 5.976 -2.677 6.958 1.00 0.00 N ATOM 875 CA LYS A 58 7.467 -2.741 7.009 1.00 0.00 C ATOM 876 C LYS A 58 7.904 -3.767 8.055 1.00 0.00 C ATOM 877 O LYS A 58 8.954 -4.368 7.949 1.00 0.00 O ATOM 878 CB LYS A 58 8.023 -1.362 7.374 1.00 0.00 C ATOM 879 CG LYS A 58 9.548 -1.368 7.249 1.00 0.00 C ATOM 880 CD LYS A 58 10.085 0.038 7.531 1.00 0.00 C ATOM 881 CE LYS A 58 11.608 0.044 7.391 1.00 0.00 C ATOM 882 NZ LYS A 58 12.123 1.420 7.638 1.00 0.00 N ATOM 0 H LYS A 58 5.573 -1.792 7.264 1.00 0.00 H new ATOM 0 HA LYS A 58 7.851 -3.040 6.034 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.598 -0.603 6.717 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.733 -1.101 8.392 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.979 -2.082 7.951 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.841 -1.688 6.249 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.643 0.753 6.837 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.801 0.352 8.535 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.052 -0.655 8.100 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.894 -0.289 6.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.159 1.425 7.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.708 2.075 6.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.862 1.721 8.599 1.00 0.00 H new ATOM 896 N LYS A 59 7.112 -3.964 9.075 1.00 0.00 N ATOM 897 CA LYS A 59 7.489 -4.942 10.136 1.00 0.00 C ATOM 898 C LYS A 59 7.383 -6.370 9.587 1.00 0.00 C ATOM 899 O LYS A 59 7.702 -7.325 10.266 1.00 0.00 O ATOM 900 CB LYS A 59 6.534 -4.782 11.320 1.00 0.00 C ATOM 901 CG LYS A 59 6.739 -3.407 11.958 1.00 0.00 C ATOM 902 CD LYS A 59 5.760 -3.232 13.121 1.00 0.00 C ATOM 903 CE LYS A 59 6.016 -1.890 13.807 1.00 0.00 C ATOM 904 NZ LYS A 59 5.771 -0.783 12.839 1.00 0.00 N ATOM 0 H LYS A 59 6.220 -3.490 9.219 1.00 0.00 H new ATOM 0 HA LYS A 59 8.514 -4.757 10.456 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.502 -4.889 10.986 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.714 -5.566 12.055 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.764 -3.309 12.314 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.583 -2.623 11.216 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.734 -3.276 12.756 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.879 -4.046 13.836 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.363 -1.782 14.673 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.042 -1.847 14.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.643 0.110 13.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.584 -0.697 12.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.914 -0.988 12.287 1.00 0.00 H new ATOM 918 N LEU A 60 6.941 -6.520 8.359 1.00 0.00 N ATOM 919 CA LEU A 60 6.813 -7.884 7.739 1.00 0.00 C ATOM 920 C LEU A 60 7.992 -8.103 6.784 1.00 0.00 C ATOM 921 O LEU A 60 8.244 -7.308 5.901 1.00 0.00 O ATOM 922 CB LEU A 60 5.495 -7.962 6.961 1.00 0.00 C ATOM 923 CG LEU A 60 4.319 -7.566 7.868 1.00 0.00 C ATOM 924 CD1 LEU A 60 3.026 -7.613 7.046 1.00 0.00 C ATOM 925 CD2 LEU A 60 4.211 -8.526 9.072 1.00 0.00 C ATOM 0 H LEU A 60 6.660 -5.749 7.753 1.00 0.00 H new ATOM 0 HA LEU A 60 6.819 -8.652 8.512 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.535 -7.300 6.096 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.347 -8.973 6.582 1.00 0.00 H new ATOM 0 HG LEU A 60 4.483 -6.559 8.251 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.183 -7.334 7.678 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.100 -6.916 6.211 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.874 -8.622 6.664 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.372 -8.228 9.701 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.052 -9.543 8.713 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.132 -8.486 9.653 1.00 0.00 H new ATOM 937 N ASP A 61 8.727 -9.163 6.972 1.00 0.00 N ATOM 938 CA ASP A 61 9.909 -9.431 6.097 1.00 0.00 C ATOM 939 C ASP A 61 9.483 -9.770 4.664 1.00 0.00 C ATOM 940 O ASP A 61 10.132 -9.381 3.711 1.00 0.00 O ATOM 941 CB ASP A 61 10.700 -10.608 6.674 1.00 0.00 C ATOM 942 CG ASP A 61 9.788 -11.833 6.793 1.00 0.00 C ATOM 943 OD1 ASP A 61 8.581 -11.662 6.730 1.00 0.00 O ATOM 944 OD2 ASP A 61 10.313 -12.922 6.949 1.00 0.00 O ATOM 0 H ASP A 61 8.561 -9.861 7.697 1.00 0.00 H new ATOM 0 HA ASP A 61 10.522 -8.530 6.067 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.551 -10.837 6.032 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.101 -10.344 7.653 1.00 0.00 H new ATOM 949 N PHE A 62 8.418 -10.511 4.490 1.00 0.00 N ATOM 950 CA PHE A 62 7.990 -10.890 3.104 1.00 0.00 C ATOM 951 C PHE A 62 7.309 -9.704 2.411 1.00 0.00 C ATOM 952 O PHE A 62 6.633 -9.873 1.418 1.00 0.00 O ATOM 953 CB PHE A 62 7.020 -12.084 3.173 1.00 0.00 C ATOM 954 CG PHE A 62 5.694 -11.667 3.793 1.00 0.00 C ATOM 955 CD1 PHE A 62 5.528 -11.688 5.183 1.00 0.00 C ATOM 956 CD2 PHE A 62 4.631 -11.262 2.970 1.00 0.00 C ATOM 957 CE1 PHE A 62 4.307 -11.306 5.751 1.00 0.00 C ATOM 958 CE2 PHE A 62 3.410 -10.881 3.539 1.00 0.00 C ATOM 959 CZ PHE A 62 3.248 -10.902 4.928 1.00 0.00 C ATOM 0 H PHE A 62 7.828 -10.869 5.241 1.00 0.00 H new ATOM 0 HA PHE A 62 8.871 -11.170 2.526 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.850 -12.479 2.171 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.465 -12.887 3.761 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.344 -12.000 5.818 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.755 -11.244 1.897 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.181 -11.323 6.824 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.593 -10.571 2.905 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.306 -10.607 5.366 1.00 0.00 H new ATOM 969 N LEU A 63 7.473 -8.507 2.931 1.00 0.00 N ATOM 970 CA LEU A 63 6.820 -7.303 2.309 1.00 0.00 C ATOM 971 C LEU A 63 7.855 -6.170 2.201 1.00 0.00 C ATOM 972 O LEU A 63 8.369 -5.687 3.192 1.00 0.00 O ATOM 973 CB LEU A 63 5.639 -6.896 3.221 1.00 0.00 C ATOM 974 CG LEU A 63 4.571 -6.073 2.473 1.00 0.00 C ATOM 975 CD1 LEU A 63 5.189 -4.782 1.917 1.00 0.00 C ATOM 976 CD2 LEU A 63 3.910 -6.903 1.336 1.00 0.00 C ATOM 0 H LEU A 63 8.032 -8.311 3.761 1.00 0.00 H new ATOM 0 HA LEU A 63 6.451 -7.517 1.306 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.178 -7.793 3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.017 -6.315 4.062 1.00 0.00 H new ATOM 0 HG LEU A 63 3.788 -5.808 3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.425 -4.210 1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.587 -4.186 2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.994 -5.032 1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.162 -6.294 0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.672 -7.212 0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.432 -7.786 1.761 1.00 0.00 H new ATOM 988 N THR A 64 8.169 -5.749 0.998 1.00 0.00 N ATOM 989 CA THR A 64 9.177 -4.653 0.805 1.00 0.00 C ATOM 990 C THR A 64 8.469 -3.296 0.797 1.00 0.00 C ATOM 991 O THR A 64 7.384 -3.156 0.266 1.00 0.00 O ATOM 992 CB THR A 64 9.896 -4.860 -0.533 1.00 0.00 C ATOM 993 OG1 THR A 64 10.483 -6.154 -0.555 1.00 0.00 O ATOM 994 CG2 THR A 64 10.992 -3.803 -0.700 1.00 0.00 C ATOM 0 H THR A 64 7.769 -6.119 0.136 1.00 0.00 H new ATOM 0 HA THR A 64 9.900 -4.677 1.620 1.00 0.00 H new ATOM 0 HB THR A 64 9.178 -4.767 -1.348 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.540 -6.472 -1.480 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.501 -3.954 -1.652 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.545 -2.809 -0.681 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.711 -3.893 0.114 1.00 0.00 H new ATOM 1002 N VAL A 65 9.086 -2.290 1.389 1.00 0.00 N ATOM 1003 CA VAL A 65 8.476 -0.916 1.442 1.00 0.00 C ATOM 1004 C VAL A 65 9.466 0.115 0.899 1.00 0.00 C ATOM 1005 O VAL A 65 10.627 0.130 1.261 1.00 0.00 O ATOM 1006 CB VAL A 65 8.156 -0.562 2.895 1.00 0.00 C ATOM 1007 CG1 VAL A 65 7.500 0.825 2.969 1.00 0.00 C ATOM 1008 CG2 VAL A 65 7.207 -1.608 3.474 1.00 0.00 C ATOM 0 H VAL A 65 9.997 -2.366 1.842 1.00 0.00 H new ATOM 0 HA VAL A 65 7.568 -0.908 0.839 1.00 0.00 H new ATOM 0 HB VAL A 65 9.081 -0.547 3.471 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.276 1.067 4.008 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.181 1.572 2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.576 0.822 2.390 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.978 -1.358 4.510 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.285 -1.625 2.892 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.679 -2.590 3.434 1.00 0.00 H new ATOM 1018 N GLN A 66 8.999 0.994 0.047 1.00 0.00 N ATOM 1019 CA GLN A 66 9.873 2.067 -0.523 1.00 0.00 C ATOM 1020 C GLN A 66 9.057 3.354 -0.612 1.00 0.00 C ATOM 1021 O GLN A 66 7.908 3.339 -1.012 1.00 0.00 O ATOM 1022 CB GLN A 66 10.349 1.666 -1.922 1.00 0.00 C ATOM 1023 CG GLN A 66 11.310 0.483 -1.813 1.00 0.00 C ATOM 1024 CD GLN A 66 11.823 0.113 -3.205 1.00 0.00 C ATOM 1025 OE1 GLN A 66 11.535 0.789 -4.173 1.00 0.00 O ATOM 1026 NE2 GLN A 66 12.579 -0.938 -3.347 1.00 0.00 N ATOM 0 H GLN A 66 8.034 1.014 -0.283 1.00 0.00 H new ATOM 0 HA GLN A 66 10.745 2.213 0.115 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.496 1.399 -2.546 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.845 2.508 -2.404 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.146 0.739 -1.162 1.00 0.00 H new ATOM 0 HG3 GLN A 66 10.804 -0.370 -1.362 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.821 -1.506 -2.535 1.00 0.00 H new ATOM 0 HE22 GLN A 66 12.929 -1.193 -4.270 1.00 0.00 H new ATOM 1035 N GLU A 67 9.639 4.468 -0.242 1.00 0.00 N ATOM 1036 CA GLU A 67 8.914 5.775 -0.296 1.00 0.00 C ATOM 1037 C GLU A 67 9.379 6.554 -1.522 1.00 0.00 C ATOM 1038 O GLU A 67 10.543 6.869 -1.662 1.00 0.00 O ATOM 1039 CB GLU A 67 9.242 6.574 0.967 1.00 0.00 C ATOM 1040 CG GLU A 67 8.492 7.905 0.951 1.00 0.00 C ATOM 1041 CD GLU A 67 8.682 8.617 2.295 1.00 0.00 C ATOM 1042 OE1 GLU A 67 9.593 8.249 3.019 1.00 0.00 O ATOM 1043 OE2 GLU A 67 7.914 9.521 2.577 1.00 0.00 O ATOM 0 H GLU A 67 10.598 4.528 0.100 1.00 0.00 H new ATOM 0 HA GLU A 67 7.839 5.605 -0.358 1.00 0.00 H new ATOM 0 HB2 GLU A 67 8.965 6.001 1.852 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.316 6.753 1.026 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.861 8.533 0.140 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.432 7.735 0.765 1.00 0.00 H new ATOM 1050 N SER A 68 8.474 6.891 -2.403 1.00 0.00 N ATOM 1051 CA SER A 68 8.850 7.674 -3.618 1.00 0.00 C ATOM 1052 C SER A 68 8.675 9.167 -3.323 1.00 0.00 C ATOM 1053 O SER A 68 7.735 9.573 -2.662 1.00 0.00 O ATOM 1054 CB SER A 68 7.929 7.275 -4.772 1.00 0.00 C ATOM 1055 OG SER A 68 8.150 5.909 -5.095 1.00 0.00 O ATOM 0 H SER A 68 7.484 6.656 -2.333 1.00 0.00 H new ATOM 0 HA SER A 68 9.887 7.471 -3.887 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.887 7.431 -4.492 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.123 7.903 -5.642 1.00 0.00 H new ATOM 0 HG SER A 68 7.562 5.648 -5.834 1.00 0.00 H new ATOM 1061 N ARG A 69 9.562 9.989 -3.818 1.00 0.00 N ATOM 1062 CA ARG A 69 9.450 11.465 -3.587 1.00 0.00 C ATOM 1063 C ARG A 69 8.576 12.068 -4.700 1.00 0.00 C ATOM 1064 O ARG A 69 9.079 12.466 -5.734 1.00 0.00 O ATOM 1065 CB ARG A 69 10.853 12.092 -3.673 1.00 0.00 C ATOM 1066 CG ARG A 69 11.689 11.777 -2.413 1.00 0.00 C ATOM 1067 CD ARG A 69 13.142 12.265 -2.661 1.00 0.00 C ATOM 1068 NE ARG A 69 14.039 12.362 -1.438 1.00 0.00 N ATOM 1069 CZ ARG A 69 13.593 12.515 -0.206 1.00 0.00 C ATOM 1070 NH1 ARG A 69 12.522 11.918 0.233 1.00 0.00 N ATOM 1071 NH2 ARG A 69 14.365 13.127 0.660 1.00 0.00 N ATOM 0 H ARG A 69 10.366 9.702 -4.377 1.00 0.00 H new ATOM 0 HA ARG A 69 9.012 11.660 -2.608 1.00 0.00 H new ATOM 0 HB2 ARG A 69 11.368 11.715 -4.557 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.764 13.172 -3.792 1.00 0.00 H new ATOM 0 HG2 ARG A 69 11.265 12.274 -1.541 1.00 0.00 H new ATOM 0 HG3 ARG A 69 11.677 10.707 -2.207 1.00 0.00 H new ATOM 0 HD2 ARG A 69 13.612 11.590 -3.377 1.00 0.00 H new ATOM 0 HD3 ARG A 69 13.097 13.247 -3.131 1.00 0.00 H new ATOM 0 HE ARG A 69 15.048 12.305 -1.578 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.992 11.303 -0.384 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.214 12.065 1.194 1.00 0.00 H new ATOM 0 HH21 ARG A 69 15.282 13.469 0.373 1.00 0.00 H new ATOM 0 HH22 ARG A 69 14.048 13.261 1.620 1.00 0.00 H new ATOM 1085 N ASN A 70 7.279 12.148 -4.502 1.00 0.00 N ATOM 1086 CA ASN A 70 6.375 12.732 -5.555 1.00 0.00 C ATOM 1087 C ASN A 70 6.042 14.184 -5.201 1.00 0.00 C ATOM 1088 O ASN A 70 5.269 14.460 -4.304 1.00 0.00 O ATOM 1089 CB ASN A 70 5.077 11.913 -5.635 1.00 0.00 C ATOM 1090 CG ASN A 70 5.381 10.530 -6.224 1.00 0.00 C ATOM 1091 OD1 ASN A 70 6.391 10.346 -6.873 1.00 0.00 O ATOM 1092 ND2 ASN A 70 4.546 9.547 -6.026 1.00 0.00 N ATOM 0 H ASN A 70 6.804 11.834 -3.656 1.00 0.00 H new ATOM 0 HA ASN A 70 6.882 12.702 -6.520 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.638 11.809 -4.643 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.345 12.431 -6.255 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.742 8.625 -6.416 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.698 9.700 -5.481 1.00 0.00 H new ATOM 1099 N GLY A 71 6.621 15.112 -5.906 1.00 0.00 N ATOM 1100 CA GLY A 71 6.344 16.551 -5.627 1.00 0.00 C ATOM 1101 C GLY A 71 6.683 16.872 -4.171 1.00 0.00 C ATOM 1102 O GLY A 71 7.681 16.427 -3.641 1.00 0.00 O ATOM 0 H GLY A 71 7.277 14.938 -6.667 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.933 17.180 -6.294 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.295 16.773 -5.823 1.00 0.00 H new ATOM 1106 N SER A 72 5.857 17.651 -3.519 1.00 0.00 N ATOM 1107 CA SER A 72 6.123 18.016 -2.092 1.00 0.00 C ATOM 1108 C SER A 72 5.535 16.948 -1.165 1.00 0.00 C ATOM 1109 O SER A 72 5.760 16.970 0.030 1.00 0.00 O ATOM 1110 CB SER A 72 5.463 19.361 -1.784 1.00 0.00 C ATOM 1111 OG SER A 72 4.051 19.207 -1.806 1.00 0.00 O ATOM 0 H SER A 72 5.006 18.052 -3.914 1.00 0.00 H new ATOM 0 HA SER A 72 7.199 18.083 -1.933 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.786 19.722 -0.808 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.771 20.106 -2.517 1.00 0.00 H new ATOM 0 HG SER A 72 3.625 20.067 -1.607 1.00 0.00 H new ATOM 1117 N LYS A 73 4.775 16.017 -1.704 1.00 0.00 N ATOM 1118 CA LYS A 73 4.151 14.935 -0.862 1.00 0.00 C ATOM 1119 C LYS A 73 4.765 13.581 -1.220 1.00 0.00 C ATOM 1120 O LYS A 73 4.726 13.146 -2.354 1.00 0.00 O ATOM 1121 CB LYS A 73 2.643 14.893 -1.132 1.00 0.00 C ATOM 1122 CG LYS A 73 1.976 13.881 -0.193 1.00 0.00 C ATOM 1123 CD LYS A 73 0.459 13.931 -0.380 1.00 0.00 C ATOM 1124 CE LYS A 73 -0.212 12.946 0.579 1.00 0.00 C ATOM 1125 NZ LYS A 73 0.132 11.551 0.181 1.00 0.00 N ATOM 0 H LYS A 73 4.558 15.959 -2.699 1.00 0.00 H new ATOM 0 HA LYS A 73 4.334 15.146 0.192 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.210 15.882 -0.983 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.458 14.617 -2.170 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.346 12.877 -0.402 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.233 14.106 0.842 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.093 14.941 -0.194 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.202 13.683 -1.410 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.117 13.136 1.601 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.293 13.084 0.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.086 10.903 0.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.424 11.282 -0.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.146 11.494 -0.043 1.00 0.00 H new ATOM 1139 N LEU A 74 5.324 12.908 -0.253 1.00 0.00 N ATOM 1140 CA LEU A 74 5.940 11.573 -0.511 1.00 0.00 C ATOM 1141 C LEU A 74 4.852 10.506 -0.432 1.00 0.00 C ATOM 1142 O LEU A 74 4.073 10.473 0.503 1.00 0.00 O ATOM 1143 CB LEU A 74 7.017 11.277 0.542 1.00 0.00 C ATOM 1144 CG LEU A 74 8.178 12.318 0.458 1.00 0.00 C ATOM 1145 CD1 LEU A 74 7.921 13.508 1.398 1.00 0.00 C ATOM 1146 CD2 LEU A 74 9.500 11.662 0.872 1.00 0.00 C ATOM 0 H LEU A 74 5.382 13.227 0.714 1.00 0.00 H new ATOM 0 HA LEU A 74 6.400 11.571 -1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.574 11.300 1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.412 10.272 0.392 1.00 0.00 H new ATOM 0 HG LEU A 74 8.231 12.671 -0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.745 14.218 1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.990 14.000 1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.846 13.151 2.425 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.305 12.395 0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.420 11.296 1.896 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.717 10.828 0.205 1.00 0.00 H new ATOM 1158 N HIS A 75 4.794 9.633 -1.411 1.00 0.00 N ATOM 1159 CA HIS A 75 3.759 8.545 -1.428 1.00 0.00 C ATOM 1160 C HIS A 75 4.427 7.204 -1.128 1.00 0.00 C ATOM 1161 O HIS A 75 5.376 6.807 -1.777 1.00 0.00 O ATOM 1162 CB HIS A 75 3.106 8.499 -2.815 1.00 0.00 C ATOM 1163 CG HIS A 75 2.284 9.745 -3.024 1.00 0.00 C ATOM 1164 ND1 HIS A 75 2.532 10.636 -4.057 1.00 0.00 N ATOM 1165 CD2 HIS A 75 1.213 10.259 -2.335 1.00 0.00 C ATOM 1166 CE1 HIS A 75 1.628 11.628 -3.962 1.00 0.00 C ATOM 1167 NE2 HIS A 75 0.800 11.447 -2.928 1.00 0.00 N ATOM 0 H HIS A 75 5.428 9.627 -2.210 1.00 0.00 H new ATOM 0 HA HIS A 75 2.999 8.744 -0.672 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.872 8.422 -3.587 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.475 7.615 -2.903 1.00 0.00 H new ATOM 0 HD2 HIS A 75 0.760 9.809 -1.464 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.577 12.468 -4.639 1.00 0.00 H new ATOM 0 HE2 HIS A 75 0.031 12.050 -2.637 1.00 0.00 H new ATOM 1175 N SER A 76 3.934 6.506 -0.144 1.00 0.00 N ATOM 1176 CA SER A 76 4.523 5.186 0.215 1.00 0.00 C ATOM 1177 C SER A 76 4.192 4.163 -0.872 1.00 0.00 C ATOM 1178 O SER A 76 3.210 4.292 -1.576 1.00 0.00 O ATOM 1179 CB SER A 76 3.935 4.718 1.546 1.00 0.00 C ATOM 1180 OG SER A 76 4.208 3.335 1.719 1.00 0.00 O ATOM 0 H SER A 76 3.143 6.795 0.431 1.00 0.00 H new ATOM 0 HA SER A 76 5.605 5.283 0.303 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.364 5.291 2.368 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.859 4.893 1.563 1.00 0.00 H new ATOM 0 HG SER A 76 4.580 3.184 2.613 1.00 0.00 H new ATOM 1186 N GLU A 77 5.005 3.142 -1.005 1.00 0.00 N ATOM 1187 CA GLU A 77 4.758 2.082 -2.040 1.00 0.00 C ATOM 1188 C GLU A 77 5.033 0.713 -1.418 1.00 0.00 C ATOM 1189 O GLU A 77 5.786 0.592 -0.473 1.00 0.00 O ATOM 1190 CB GLU A 77 5.699 2.296 -3.228 1.00 0.00 C ATOM 1191 CG GLU A 77 5.323 3.587 -3.957 1.00 0.00 C ATOM 1192 CD GLU A 77 6.287 3.826 -5.125 1.00 0.00 C ATOM 1193 OE1 GLU A 77 7.191 3.024 -5.305 1.00 0.00 O ATOM 1194 OE2 GLU A 77 6.102 4.810 -5.824 1.00 0.00 O ATOM 0 H GLU A 77 5.838 2.995 -0.436 1.00 0.00 H new ATOM 0 HA GLU A 77 3.725 2.136 -2.384 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.731 2.350 -2.882 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.636 1.449 -3.912 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.300 3.522 -4.326 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.359 4.429 -3.266 1.00 0.00 H new ATOM 1201 N ILE A 78 4.418 -0.319 -1.947 1.00 0.00 N ATOM 1202 CA ILE A 78 4.622 -1.705 -1.408 1.00 0.00 C ATOM 1203 C ILE A 78 4.780 -2.690 -2.567 1.00 0.00 C ATOM 1204 O ILE A 78 4.252 -2.492 -3.644 1.00 0.00 O ATOM 1205 CB ILE A 78 3.409 -2.094 -0.551 1.00 0.00 C ATOM 1206 CG1 ILE A 78 2.120 -1.933 -1.371 1.00 0.00 C ATOM 1207 CG2 ILE A 78 3.347 -1.191 0.682 1.00 0.00 C ATOM 1208 CD1 ILE A 78 0.902 -2.408 -0.563 1.00 0.00 C ATOM 0 H ILE A 78 3.776 -0.260 -2.738 1.00 0.00 H new ATOM 0 HA ILE A 78 5.523 -1.733 -0.796 1.00 0.00 H new ATOM 0 HB ILE A 78 3.507 -3.133 -0.238 1.00 0.00 H new ATOM 0 HG12 ILE A 78 1.991 -0.888 -1.654 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.196 -2.506 -2.295 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.486 -1.466 1.291 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.259 -1.311 1.267 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.252 -0.152 0.367 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.001 -2.286 -1.161 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.026 -3.459 -0.303 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.817 -1.816 0.348 1.00 0.00 H new ATOM 1220 N ARG A 79 5.500 -3.754 -2.346 1.00 0.00 N ATOM 1221 CA ARG A 79 5.706 -4.777 -3.415 1.00 0.00 C ATOM 1222 C ARG A 79 5.914 -6.129 -2.741 1.00 0.00 C ATOM 1223 O ARG A 79 6.483 -6.214 -1.671 1.00 0.00 O ATOM 1224 CB ARG A 79 6.938 -4.401 -4.237 1.00 0.00 C ATOM 1225 CG ARG A 79 7.125 -5.369 -5.411 1.00 0.00 C ATOM 1226 CD ARG A 79 8.405 -4.987 -6.154 1.00 0.00 C ATOM 1227 NE ARG A 79 9.558 -5.120 -5.200 1.00 0.00 N ATOM 1228 CZ ARG A 79 10.244 -6.235 -5.098 1.00 0.00 C ATOM 1229 NH1 ARG A 79 10.152 -7.172 -6.005 1.00 0.00 N ATOM 1230 NH2 ARG A 79 11.076 -6.381 -4.103 1.00 0.00 N ATOM 0 H ARG A 79 5.961 -3.963 -1.460 1.00 0.00 H new ATOM 0 HA ARG A 79 4.843 -4.824 -4.079 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.834 -3.383 -4.612 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.824 -4.417 -3.602 1.00 0.00 H new ATOM 0 HG2 ARG A 79 7.189 -6.395 -5.049 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.268 -5.320 -6.083 1.00 0.00 H new ATOM 0 HD2 ARG A 79 8.550 -5.634 -7.019 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.337 -3.966 -6.528 1.00 0.00 H new ATOM 0 HE ARG A 79 9.815 -4.324 -4.617 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.539 -7.044 -6.810 1.00 0.00 H new ATOM 0 HH12 ARG A 79 10.693 -8.031 -5.908 1.00 0.00 H new ATOM 0 HH21 ARG A 79 11.187 -5.634 -3.417 1.00 0.00 H new ATOM 0 HH22 ARG A 79 11.615 -7.242 -4.011 1.00 0.00 H new ATOM 1244 N LEU A 80 5.436 -7.187 -3.342 1.00 0.00 N ATOM 1245 CA LEU A 80 5.586 -8.538 -2.717 1.00 0.00 C ATOM 1246 C LEU A 80 6.894 -9.179 -3.205 1.00 0.00 C ATOM 1247 O LEU A 80 7.057 -9.485 -4.369 1.00 0.00 O ATOM 1248 CB LEU A 80 4.362 -9.391 -3.125 1.00 0.00 C ATOM 1249 CG LEU A 80 4.072 -10.494 -2.076 1.00 0.00 C ATOM 1250 CD1 LEU A 80 5.337 -11.339 -1.840 1.00 0.00 C ATOM 1251 CD2 LEU A 80 3.584 -9.869 -0.733 1.00 0.00 C ATOM 0 H LEU A 80 4.948 -7.176 -4.238 1.00 0.00 H new ATOM 0 HA LEU A 80 5.630 -8.466 -1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.488 -8.749 -3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.543 -9.849 -4.097 1.00 0.00 H new ATOM 0 HG LEU A 80 3.279 -11.136 -2.460 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.125 -12.112 -1.101 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.643 -11.806 -2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.140 -10.698 -1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.387 -10.663 -0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.354 -9.205 -0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.670 -9.302 -0.907 1.00 0.00 H new ATOM 1263 N ARG A 81 7.830 -9.362 -2.315 1.00 0.00 N ATOM 1264 CA ARG A 81 9.142 -9.958 -2.703 1.00 0.00 C ATOM 1265 C ARG A 81 8.990 -11.467 -2.906 1.00 0.00 C ATOM 1266 O ARG A 81 9.169 -12.249 -1.994 1.00 0.00 O ATOM 1267 CB ARG A 81 10.145 -9.677 -1.585 1.00 0.00 C ATOM 1268 CG ARG A 81 11.538 -10.179 -1.983 1.00 0.00 C ATOM 1269 CD ARG A 81 12.557 -9.692 -0.949 1.00 0.00 C ATOM 1270 NE ARG A 81 12.560 -8.193 -0.969 1.00 0.00 N ATOM 1271 CZ ARG A 81 13.260 -7.529 -1.856 1.00 0.00 C ATOM 1272 NH1 ARG A 81 14.151 -8.136 -2.594 1.00 0.00 N ATOM 1273 NH2 ARG A 81 13.084 -6.241 -1.980 1.00 0.00 N ATOM 0 H ARG A 81 7.742 -9.123 -1.327 1.00 0.00 H new ATOM 0 HA ARG A 81 9.492 -9.520 -3.637 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.181 -8.607 -1.380 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.823 -10.167 -0.666 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.545 -11.268 -2.035 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.802 -9.811 -2.974 1.00 0.00 H new ATOM 0 HD2 ARG A 81 12.297 -10.059 0.044 1.00 0.00 H new ATOM 0 HD3 ARG A 81 13.550 -10.078 -1.182 1.00 0.00 H new ATOM 0 HE ARG A 81 12.008 -7.681 -0.281 1.00 0.00 H new ATOM 0 HH11 ARG A 81 14.308 -9.138 -2.483 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.689 -7.608 -3.281 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.406 -5.760 -1.389 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.624 -5.716 -2.668 1.00 0.00 H new