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 70 ASN :FLIP amide:sc= -0.739 F(o=-5.1!,f=-1.7) USER MOD Set 1.2: A 75 HIS : no HD1:sc= -0.94 K(o=-1.7,f=-8.2!) USER MOD Set 2.1: A 54 SER OG : rot 105:sc= 0.584 USER MOD Set 2.2: A 55 GLN : amide:sc= -1.96! C(o=-1.4!,f=-3.6!) USER MOD Set 3.1: A 35 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 39 ASN :FLIP amide:sc= -2.11! C(o=-3.9!,f=-2.1!) USER MOD Single : A 7 HIS : no HE2:sc= 0.103 K(o=0.1,f=-1.3) USER MOD Single : A 10 GLN : amide:sc= -0.0117 K(o=-0.012,f=-1.7!) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 72:sc= 1.09 USER MOD Single : A 15 SER OG : rot -94:sc= 1.26 USER MOD Single : A 24 SER OG : rot -60:sc= 0.997 USER MOD Single : A 30 SER OG : rot 180:sc= -0.0884 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc=-0.00882 K(o=-0.0088,f=-1.4) USER MOD Single : A 50 HIS : no HD1:sc= -2.23! C(o=-2.2!,f=-4.6!) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 161:sc= -0.0826 (180deg=-0.512) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.0882 X(o=-0.088,f=-0.4) USER MOD Single : A 68 SER OG : rot -149:sc= -2.2! USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 143:sc= 0.156 (180deg=-0.1) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 110 N HIS A 7 -8.458 -12.579 6.655 1.00 0.00 N ATOM 111 CA HIS A 7 -7.914 -13.269 5.443 1.00 0.00 C ATOM 112 C HIS A 7 -6.390 -13.032 5.358 1.00 0.00 C ATOM 113 O HIS A 7 -5.908 -12.021 5.830 1.00 0.00 O ATOM 114 CB HIS A 7 -8.599 -12.684 4.199 1.00 0.00 C ATOM 115 CG HIS A 7 -10.042 -13.113 4.167 1.00 0.00 C ATOM 116 ND1 HIS A 7 -10.675 -13.654 5.276 1.00 0.00 N ATOM 117 CD2 HIS A 7 -10.983 -13.101 3.169 1.00 0.00 C ATOM 118 CE1 HIS A 7 -11.939 -13.942 4.922 1.00 0.00 C ATOM 119 NE2 HIS A 7 -12.181 -13.624 3.646 1.00 0.00 N ATOM 0 HA HIS A 7 -8.105 -14.341 5.503 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -8.533 -11.596 4.213 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -8.089 -13.023 3.297 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -10.257 -13.806 6.194 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -10.819 -12.740 2.164 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -12.670 -14.377 5.587 1.00 0.00 H new ATOM 127 N PRO A 8 -5.626 -13.934 4.758 1.00 0.00 N ATOM 128 CA PRO A 8 -4.147 -13.754 4.640 1.00 0.00 C ATOM 129 C PRO A 8 -3.772 -12.338 4.170 1.00 0.00 C ATOM 130 O PRO A 8 -4.351 -11.805 3.244 1.00 0.00 O ATOM 131 CB PRO A 8 -3.718 -14.805 3.588 1.00 0.00 C ATOM 132 CG PRO A 8 -4.790 -15.866 3.603 1.00 0.00 C ATOM 133 CD PRO A 8 -6.074 -15.211 4.161 1.00 0.00 C ATOM 0 HA PRO A 8 -3.650 -13.882 5.601 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.628 -14.354 2.600 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.745 -15.230 3.834 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.961 -16.254 2.599 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.488 -16.710 4.223 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.806 -15.042 3.371 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.551 -15.849 4.906 1.00 0.00 H new ATOM 141 N LEU A 9 -2.801 -11.737 4.800 1.00 0.00 N ATOM 142 CA LEU A 9 -2.377 -10.366 4.395 1.00 0.00 C ATOM 143 C LEU A 9 -1.808 -10.407 2.973 1.00 0.00 C ATOM 144 O LEU A 9 -2.062 -9.534 2.166 1.00 0.00 O ATOM 145 CB LEU A 9 -1.294 -9.866 5.364 1.00 0.00 C ATOM 146 CG LEU A 9 -1.886 -9.626 6.772 1.00 0.00 C ATOM 147 CD1 LEU A 9 -0.737 -9.440 7.774 1.00 0.00 C ATOM 148 CD2 LEU A 9 -2.790 -8.370 6.789 1.00 0.00 C ATOM 0 H LEU A 9 -2.281 -12.137 5.581 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.234 -9.694 4.423 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.487 -10.597 5.423 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.859 -8.941 4.985 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.493 -10.489 7.046 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.147 -9.270 8.770 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.115 -10.335 7.785 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.132 -8.582 7.479 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.193 -8.225 7.791 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.204 -7.496 6.504 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.611 -8.503 6.084 1.00 0.00 H new ATOM 160 N GLN A 10 -1.035 -11.411 2.662 1.00 0.00 N ATOM 161 CA GLN A 10 -0.438 -11.507 1.296 1.00 0.00 C ATOM 162 C GLN A 10 -1.550 -11.453 0.247 1.00 0.00 C ATOM 163 O GLN A 10 -1.423 -10.802 -0.770 1.00 0.00 O ATOM 164 CB GLN A 10 0.325 -12.831 1.170 1.00 0.00 C ATOM 165 CG GLN A 10 1.047 -12.894 -0.181 1.00 0.00 C ATOM 166 CD GLN A 10 1.905 -14.162 -0.243 1.00 0.00 C ATOM 167 OE1 GLN A 10 2.197 -14.762 0.771 1.00 0.00 O ATOM 168 NE2 GLN A 10 2.324 -14.599 -1.401 1.00 0.00 N ATOM 0 H GLN A 10 -0.789 -12.172 3.295 1.00 0.00 H new ATOM 0 HA GLN A 10 0.247 -10.675 1.136 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.047 -12.923 1.982 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.366 -13.669 1.262 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.321 -12.893 -0.994 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.673 -12.012 -0.312 1.00 0.00 H new ATOM 0 HE21 GLN A 10 2.080 -14.097 -2.254 1.00 0.00 H new ATOM 0 HE22 GLN A 10 2.895 -15.443 -1.451 1.00 0.00 H new ATOM 177 N ASP A 11 -2.640 -12.128 0.484 1.00 0.00 N ATOM 178 CA ASP A 11 -3.754 -12.104 -0.506 1.00 0.00 C ATOM 179 C ASP A 11 -4.313 -10.676 -0.581 1.00 0.00 C ATOM 180 O ASP A 11 -4.566 -10.153 -1.648 1.00 0.00 O ATOM 181 CB ASP A 11 -4.858 -13.082 -0.044 1.00 0.00 C ATOM 182 CG ASP A 11 -4.536 -14.507 -0.516 1.00 0.00 C ATOM 183 OD1 ASP A 11 -4.370 -14.691 -1.711 1.00 0.00 O ATOM 184 OD2 ASP A 11 -4.460 -15.385 0.327 1.00 0.00 O ATOM 0 H ASP A 11 -2.808 -12.693 1.316 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.398 -12.407 -1.491 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.941 -13.061 1.043 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.822 -12.768 -0.443 1.00 0.00 H new ATOM 189 N MET A 12 -4.512 -10.044 0.545 1.00 0.00 N ATOM 190 CA MET A 12 -5.061 -8.658 0.529 1.00 0.00 C ATOM 191 C MET A 12 -4.088 -7.721 -0.194 1.00 0.00 C ATOM 192 O MET A 12 -4.471 -6.974 -1.072 1.00 0.00 O ATOM 193 CB MET A 12 -5.252 -8.184 1.975 1.00 0.00 C ATOM 194 CG MET A 12 -6.357 -9.005 2.644 1.00 0.00 C ATOM 195 SD MET A 12 -6.449 -8.579 4.404 1.00 0.00 S ATOM 196 CE MET A 12 -7.549 -7.147 4.258 1.00 0.00 C ATOM 0 H MET A 12 -4.319 -10.426 1.471 1.00 0.00 H new ATOM 0 HA MET A 12 -6.017 -8.648 0.005 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.320 -8.291 2.529 1.00 0.00 H new ATOM 0 HB3 MET A 12 -5.512 -7.126 1.990 1.00 0.00 H new ATOM 0 HG2 MET A 12 -7.314 -8.808 2.161 1.00 0.00 H new ATOM 0 HG3 MET A 12 -6.155 -10.070 2.527 1.00 0.00 H new ATOM 0 HE1 MET A 12 -7.735 -6.729 5.247 1.00 0.00 H new ATOM 0 HE2 MET A 12 -7.081 -6.391 3.627 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.494 -7.458 3.812 1.00 0.00 H new ATOM 206 N PHE A 13 -2.829 -7.761 0.154 1.00 0.00 N ATOM 207 CA PHE A 13 -1.842 -6.872 -0.526 1.00 0.00 C ATOM 208 C PHE A 13 -1.658 -7.317 -1.983 1.00 0.00 C ATOM 209 O PHE A 13 -1.598 -6.506 -2.882 1.00 0.00 O ATOM 210 CB PHE A 13 -0.494 -6.927 0.214 1.00 0.00 C ATOM 211 CG PHE A 13 -0.584 -6.150 1.522 1.00 0.00 C ATOM 212 CD1 PHE A 13 -0.718 -4.756 1.483 1.00 0.00 C ATOM 213 CD2 PHE A 13 -0.523 -6.808 2.762 1.00 0.00 C ATOM 214 CE1 PHE A 13 -0.791 -4.021 2.672 1.00 0.00 C ATOM 215 CE2 PHE A 13 -0.598 -6.071 3.950 1.00 0.00 C ATOM 216 CZ PHE A 13 -0.731 -4.679 3.906 1.00 0.00 C ATOM 0 H PHE A 13 -2.443 -8.368 0.877 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.214 -5.848 -0.512 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.223 -7.963 0.415 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.292 -6.508 -0.414 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.765 -4.247 0.532 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.418 -7.882 2.799 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.894 -2.946 2.637 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.553 -6.578 4.902 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.787 -4.112 4.824 1.00 0.00 H new ATOM 226 N THR A 14 -1.560 -8.595 -2.225 1.00 0.00 N ATOM 227 CA THR A 14 -1.369 -9.076 -3.624 1.00 0.00 C ATOM 228 C THR A 14 -2.584 -8.701 -4.477 1.00 0.00 C ATOM 229 O THR A 14 -2.451 -8.184 -5.567 1.00 0.00 O ATOM 230 CB THR A 14 -1.196 -10.601 -3.612 1.00 0.00 C ATOM 231 OG1 THR A 14 -0.048 -10.935 -2.845 1.00 0.00 O ATOM 232 CG2 THR A 14 -1.019 -11.124 -5.042 1.00 0.00 C ATOM 0 H THR A 14 -1.604 -9.327 -1.516 1.00 0.00 H new ATOM 0 HA THR A 14 -0.482 -8.608 -4.050 1.00 0.00 H new ATOM 0 HB THR A 14 -2.083 -11.058 -3.174 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.232 -10.777 -1.895 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.897 -12.207 -5.021 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.898 -10.869 -5.634 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.136 -10.668 -5.489 1.00 0.00 H new ATOM 240 N SER A 15 -3.768 -8.964 -3.996 1.00 0.00 N ATOM 241 CA SER A 15 -4.986 -8.630 -4.788 1.00 0.00 C ATOM 242 C SER A 15 -5.118 -7.113 -4.941 1.00 0.00 C ATOM 243 O SER A 15 -5.486 -6.615 -5.986 1.00 0.00 O ATOM 244 CB SER A 15 -6.222 -9.167 -4.070 1.00 0.00 C ATOM 245 OG SER A 15 -6.299 -8.591 -2.774 1.00 0.00 O ATOM 0 H SER A 15 -3.945 -9.396 -3.089 1.00 0.00 H new ATOM 0 HA SER A 15 -4.900 -9.085 -5.775 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.120 -8.929 -4.640 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.170 -10.253 -3.995 1.00 0.00 H new ATOM 0 HG SER A 15 -5.872 -9.188 -2.125 1.00 0.00 H new ATOM 251 N ALA A 16 -4.833 -6.373 -3.906 1.00 0.00 N ATOM 252 CA ALA A 16 -4.958 -4.890 -3.989 1.00 0.00 C ATOM 253 C ALA A 16 -3.824 -4.297 -4.826 1.00 0.00 C ATOM 254 O ALA A 16 -4.050 -3.487 -5.700 1.00 0.00 O ATOM 255 CB ALA A 16 -4.895 -4.303 -2.580 1.00 0.00 C ATOM 0 H ALA A 16 -4.518 -6.731 -3.004 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.909 -4.645 -4.462 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.986 -3.218 -2.633 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.711 -4.706 -1.981 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.943 -4.565 -2.119 1.00 0.00 H new ATOM 261 N ILE A 17 -2.607 -4.680 -4.557 1.00 0.00 N ATOM 262 CA ILE A 17 -1.462 -4.116 -5.332 1.00 0.00 C ATOM 263 C ILE A 17 -1.599 -4.509 -6.804 1.00 0.00 C ATOM 264 O ILE A 17 -1.419 -3.698 -7.687 1.00 0.00 O ATOM 265 CB ILE A 17 -0.150 -4.676 -4.749 1.00 0.00 C ATOM 266 CG1 ILE A 17 0.049 -4.116 -3.324 1.00 0.00 C ATOM 267 CG2 ILE A 17 1.048 -4.273 -5.631 1.00 0.00 C ATOM 268 CD1 ILE A 17 1.175 -4.877 -2.616 1.00 0.00 C ATOM 0 H ILE A 17 -2.354 -5.357 -3.837 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.457 -3.028 -5.261 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.210 -5.764 -4.719 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.290 -3.054 -3.372 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.877 -4.207 -2.756 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.966 -4.677 -5.204 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.910 -4.670 -6.636 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.117 -3.186 -5.677 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.309 -4.476 -1.611 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.916 -5.934 -2.553 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.101 -4.763 -3.179 1.00 0.00 H new ATOM 280 N GLU A 18 -1.912 -5.744 -7.074 1.00 0.00 N ATOM 281 CA GLU A 18 -2.047 -6.189 -8.487 1.00 0.00 C ATOM 282 C GLU A 18 -3.248 -5.486 -9.132 1.00 0.00 C ATOM 283 O GLU A 18 -3.251 -5.197 -10.312 1.00 0.00 O ATOM 284 CB GLU A 18 -2.252 -7.709 -8.505 1.00 0.00 C ATOM 285 CG GLU A 18 -2.159 -8.242 -9.942 1.00 0.00 C ATOM 286 CD GLU A 18 -0.712 -8.158 -10.444 1.00 0.00 C ATOM 287 OE1 GLU A 18 0.161 -7.856 -9.646 1.00 0.00 O ATOM 288 OE2 GLU A 18 -0.504 -8.399 -11.621 1.00 0.00 O ATOM 0 H GLU A 18 -2.081 -6.467 -6.374 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.149 -5.935 -9.050 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.500 -8.192 -7.881 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.225 -7.957 -8.080 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.505 -9.275 -9.978 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.813 -7.664 -10.595 1.00 0.00 H new ATOM 295 N ALA A 19 -4.268 -5.213 -8.369 1.00 0.00 N ATOM 296 CA ALA A 19 -5.468 -4.539 -8.942 1.00 0.00 C ATOM 297 C ALA A 19 -5.104 -3.134 -9.441 1.00 0.00 C ATOM 298 O ALA A 19 -5.593 -2.692 -10.464 1.00 0.00 O ATOM 299 CB ALA A 19 -6.552 -4.433 -7.867 1.00 0.00 C ATOM 0 H ALA A 19 -4.324 -5.427 -7.373 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.836 -5.127 -9.783 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.431 -3.940 -8.284 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.824 -5.432 -7.525 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.175 -3.851 -7.026 1.00 0.00 H new ATOM 305 N VAL A 20 -4.256 -2.429 -8.724 1.00 0.00 N ATOM 306 CA VAL A 20 -3.847 -1.036 -9.131 1.00 0.00 C ATOM 307 C VAL A 20 -2.336 -0.995 -9.400 1.00 0.00 C ATOM 308 O VAL A 20 -1.726 0.055 -9.379 1.00 0.00 O ATOM 309 CB VAL A 20 -4.210 -0.047 -8.006 1.00 0.00 C ATOM 310 CG1 VAL A 20 -5.692 -0.209 -7.647 1.00 0.00 C ATOM 311 CG2 VAL A 20 -3.349 -0.311 -6.757 1.00 0.00 C ATOM 0 H VAL A 20 -3.823 -2.762 -7.863 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.374 -0.754 -10.042 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.020 0.968 -8.354 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.952 0.489 -6.851 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.304 -0.003 -8.525 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.875 -1.229 -7.309 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.619 0.396 -5.973 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.522 -1.328 -6.404 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.296 -0.189 -7.009 1.00 0.00 H new ATOM 321 N ALA A 21 -1.724 -2.128 -9.647 1.00 0.00 N ATOM 322 CA ALA A 21 -0.253 -2.143 -9.910 1.00 0.00 C ATOM 323 C ALA A 21 0.060 -1.284 -11.143 1.00 0.00 C ATOM 324 O ALA A 21 1.143 -0.750 -11.273 1.00 0.00 O ATOM 325 CB ALA A 21 0.201 -3.595 -10.155 1.00 0.00 C ATOM 0 H ALA A 21 -2.179 -3.040 -9.678 1.00 0.00 H new ATOM 0 HA ALA A 21 0.278 -1.735 -9.050 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.274 -3.613 -10.348 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.020 -4.199 -9.275 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.329 -4.002 -11.016 1.00 0.00 H new ATOM 331 N ARG A 22 -0.873 -1.153 -12.044 1.00 0.00 N ATOM 332 CA ARG A 22 -0.632 -0.328 -13.264 1.00 0.00 C ATOM 333 C ARG A 22 0.679 -0.746 -13.954 1.00 0.00 C ATOM 334 O ARG A 22 1.720 -0.160 -13.733 1.00 0.00 O ATOM 335 CB ARG A 22 -0.546 1.153 -12.865 1.00 0.00 C ATOM 336 CG ARG A 22 -1.922 1.664 -12.413 1.00 0.00 C ATOM 337 CD ARG A 22 -1.839 3.162 -11.988 1.00 0.00 C ATOM 338 NE ARG A 22 -1.867 3.288 -10.485 1.00 0.00 N ATOM 339 CZ ARG A 22 -1.205 4.255 -9.864 1.00 0.00 C ATOM 340 NH1 ARG A 22 -0.230 4.898 -10.454 1.00 0.00 N ATOM 341 NH2 ARG A 22 -1.474 4.541 -8.619 1.00 0.00 N ATOM 0 H ARG A 22 -1.796 -1.583 -11.989 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.457 -0.482 -13.959 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.178 1.278 -12.060 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.190 1.744 -13.709 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.642 1.550 -13.223 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.283 1.063 -11.578 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.924 3.607 -12.379 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.672 3.715 -12.421 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.405 2.617 -9.936 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.034 4.659 -11.410 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.266 5.639 -9.958 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.195 4.020 -8.120 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.963 5.285 -8.145 1.00 0.00 H new ATOM 355 N ASP A 23 0.631 -1.739 -14.802 1.00 0.00 N ATOM 356 CA ASP A 23 1.867 -2.172 -15.526 1.00 0.00 C ATOM 357 C ASP A 23 3.004 -2.443 -14.533 1.00 0.00 C ATOM 358 O ASP A 23 4.146 -2.128 -14.792 1.00 0.00 O ATOM 359 CB ASP A 23 2.284 -1.063 -16.504 1.00 0.00 C ATOM 360 CG ASP A 23 3.370 -1.574 -17.457 1.00 0.00 C ATOM 361 OD1 ASP A 23 3.088 -2.491 -18.210 1.00 0.00 O ATOM 362 OD2 ASP A 23 4.462 -1.029 -17.422 1.00 0.00 O ATOM 0 H ASP A 23 -0.210 -2.271 -15.026 1.00 0.00 H new ATOM 0 HA ASP A 23 1.661 -3.093 -16.072 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.418 -0.728 -17.075 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.654 -0.200 -15.950 1.00 0.00 H new ATOM 367 N SER A 24 2.700 -3.021 -13.406 1.00 0.00 N ATOM 368 CA SER A 24 3.767 -3.311 -12.405 1.00 0.00 C ATOM 369 C SER A 24 4.409 -1.997 -11.938 1.00 0.00 C ATOM 370 O SER A 24 5.318 -1.995 -11.132 1.00 0.00 O ATOM 371 CB SER A 24 4.834 -4.220 -13.042 1.00 0.00 C ATOM 372 OG SER A 24 5.834 -3.422 -13.663 1.00 0.00 O ATOM 0 H SER A 24 1.759 -3.306 -13.133 1.00 0.00 H new ATOM 0 HA SER A 24 3.331 -3.818 -11.544 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.284 -4.857 -12.281 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.372 -4.879 -13.777 1.00 0.00 H new ATOM 0 HG SER A 24 5.425 -2.871 -14.362 1.00 0.00 H new ATOM 378 N GLY A 25 3.942 -0.881 -12.432 1.00 0.00 N ATOM 379 CA GLY A 25 4.531 0.425 -12.006 1.00 0.00 C ATOM 380 C GLY A 25 4.179 0.681 -10.540 1.00 0.00 C ATOM 381 O GLY A 25 3.331 1.496 -10.236 1.00 0.00 O ATOM 0 H GLY A 25 3.182 -0.816 -13.109 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.613 0.409 -12.135 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.147 1.232 -12.631 1.00 0.00 H new ATOM 385 N TRP A 26 4.850 0.005 -9.633 1.00 0.00 N ATOM 386 CA TRP A 26 4.596 0.191 -8.165 1.00 0.00 C ATOM 387 C TRP A 26 3.093 0.323 -7.873 1.00 0.00 C ATOM 388 O TRP A 26 2.254 0.029 -8.705 1.00 0.00 O ATOM 389 CB TRP A 26 5.319 1.455 -7.683 1.00 0.00 C ATOM 390 CG TRP A 26 6.796 1.271 -7.842 1.00 0.00 C ATOM 391 CD1 TRP A 26 7.495 1.552 -8.965 1.00 0.00 C ATOM 392 CD2 TRP A 26 7.763 0.763 -6.876 1.00 0.00 C ATOM 393 NE1 TRP A 26 8.825 1.235 -8.754 1.00 0.00 N ATOM 394 CE2 TRP A 26 9.042 0.755 -7.480 1.00 0.00 C ATOM 395 CE3 TRP A 26 7.660 0.314 -5.547 1.00 0.00 C ATOM 396 CZ2 TRP A 26 10.175 0.316 -6.798 1.00 0.00 C ATOM 397 CZ3 TRP A 26 8.799 -0.129 -4.854 1.00 0.00 C ATOM 398 CH2 TRP A 26 10.054 -0.125 -5.479 1.00 0.00 C ATOM 0 H TRP A 26 5.575 -0.679 -9.852 1.00 0.00 H new ATOM 0 HA TRP A 26 4.972 -0.685 -7.637 1.00 0.00 H new ATOM 0 HB2 TRP A 26 4.985 2.320 -8.256 1.00 0.00 H new ATOM 0 HB3 TRP A 26 5.076 1.651 -6.639 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.083 1.957 -9.877 1.00 0.00 H new ATOM 0 HE1 TRP A 26 9.557 1.343 -9.456 1.00 0.00 H new ATOM 0 HE3 TRP A 26 6.698 0.310 -5.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 11.139 0.317 -7.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.707 -0.474 -3.835 1.00 0.00 H new ATOM 0 HH2 TRP A 26 10.927 -0.463 -4.940 1.00 0.00 H new ATOM 409 N ALA A 27 2.750 0.771 -6.696 1.00 0.00 N ATOM 410 CA ALA A 27 1.313 0.948 -6.336 1.00 0.00 C ATOM 411 C ALA A 27 1.219 1.998 -5.230 1.00 0.00 C ATOM 412 O ALA A 27 1.955 1.964 -4.265 1.00 0.00 O ATOM 413 CB ALA A 27 0.733 -0.384 -5.850 1.00 0.00 C ATOM 0 H ALA A 27 3.410 1.025 -5.961 1.00 0.00 H new ATOM 0 HA ALA A 27 0.744 1.275 -7.206 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.317 -0.250 -5.588 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.817 -1.128 -6.642 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.285 -0.723 -4.973 1.00 0.00 H new ATOM 419 N GLU A 28 0.325 2.938 -5.368 1.00 0.00 N ATOM 420 CA GLU A 28 0.189 3.997 -4.330 1.00 0.00 C ATOM 421 C GLU A 28 -0.429 3.399 -3.066 1.00 0.00 C ATOM 422 O GLU A 28 -1.474 2.780 -3.106 1.00 0.00 O ATOM 423 CB GLU A 28 -0.715 5.112 -4.859 1.00 0.00 C ATOM 424 CG GLU A 28 -0.063 5.787 -6.073 1.00 0.00 C ATOM 425 CD GLU A 28 1.195 6.544 -5.642 1.00 0.00 C ATOM 426 OE1 GLU A 28 1.309 6.846 -4.465 1.00 0.00 O ATOM 427 OE2 GLU A 28 2.024 6.812 -6.498 1.00 0.00 O ATOM 0 H GLU A 28 -0.318 3.018 -6.156 1.00 0.00 H new ATOM 0 HA GLU A 28 1.173 4.403 -4.095 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.686 4.702 -5.139 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.894 5.849 -4.076 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.193 5.037 -6.822 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.769 6.475 -6.539 1.00 0.00 H new ATOM 434 N LEU A 29 0.218 3.568 -1.944 1.00 0.00 N ATOM 435 CA LEU A 29 -0.312 2.996 -0.671 1.00 0.00 C ATOM 436 C LEU A 29 -1.749 3.484 -0.457 1.00 0.00 C ATOM 437 O LEU A 29 -2.608 2.734 -0.035 1.00 0.00 O ATOM 438 CB LEU A 29 0.578 3.465 0.495 1.00 0.00 C ATOM 439 CG LEU A 29 0.069 2.928 1.851 1.00 0.00 C ATOM 440 CD1 LEU A 29 0.039 1.385 1.855 1.00 0.00 C ATOM 441 CD2 LEU A 29 0.999 3.438 2.962 1.00 0.00 C ATOM 0 H LEU A 29 1.095 4.080 -1.854 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.307 1.907 -0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.601 3.128 0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.601 4.554 0.520 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.948 3.283 2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.323 1.031 2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.626 1.032 1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.044 1.001 1.681 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.652 3.067 3.926 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.013 3.082 2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.993 4.528 2.970 1.00 0.00 H new ATOM 453 N SER A 30 -2.021 4.724 -0.750 1.00 0.00 N ATOM 454 CA SER A 30 -3.406 5.241 -0.563 1.00 0.00 C ATOM 455 C SER A 30 -4.373 4.401 -1.406 1.00 0.00 C ATOM 456 O SER A 30 -5.437 4.022 -0.960 1.00 0.00 O ATOM 457 CB SER A 30 -3.467 6.697 -1.019 1.00 0.00 C ATOM 458 OG SER A 30 -3.084 6.775 -2.386 1.00 0.00 O ATOM 0 H SER A 30 -1.348 5.400 -1.110 1.00 0.00 H new ATOM 0 HA SER A 30 -3.686 5.178 0.489 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.475 7.090 -0.888 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.805 7.310 -0.408 1.00 0.00 H new ATOM 0 HG SER A 30 -3.123 7.708 -2.684 1.00 0.00 H new ATOM 464 N ALA A 31 -4.005 4.104 -2.624 1.00 0.00 N ATOM 465 CA ALA A 31 -4.901 3.286 -3.494 1.00 0.00 C ATOM 466 C ALA A 31 -5.061 1.888 -2.893 1.00 0.00 C ATOM 467 O ALA A 31 -6.130 1.309 -2.919 1.00 0.00 O ATOM 468 CB ALA A 31 -4.296 3.167 -4.894 1.00 0.00 C ATOM 0 H ALA A 31 -3.126 4.391 -3.053 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.875 3.771 -3.560 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.954 2.569 -5.525 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.183 4.161 -5.327 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.320 2.686 -4.829 1.00 0.00 H new ATOM 474 N VAL A 32 -4.006 1.332 -2.357 1.00 0.00 N ATOM 475 CA VAL A 32 -4.102 -0.032 -1.763 1.00 0.00 C ATOM 476 C VAL A 32 -5.096 -0.002 -0.601 1.00 0.00 C ATOM 477 O VAL A 32 -5.979 -0.831 -0.496 1.00 0.00 O ATOM 478 CB VAL A 32 -2.714 -0.442 -1.245 1.00 0.00 C ATOM 479 CG1 VAL A 32 -2.790 -1.781 -0.489 1.00 0.00 C ATOM 480 CG2 VAL A 32 -1.753 -0.573 -2.431 1.00 0.00 C ATOM 0 H VAL A 32 -3.083 1.764 -2.305 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.442 -0.748 -2.511 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.353 0.322 -0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.797 -2.053 -0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.467 -1.682 0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.159 -2.557 -1.160 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.767 -0.864 -2.070 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.126 -1.332 -3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.682 0.383 -2.949 1.00 0.00 H new ATOM 490 N GLY A 33 -4.948 0.944 0.280 1.00 0.00 N ATOM 491 CA GLY A 33 -5.869 1.024 1.445 1.00 0.00 C ATOM 492 C GLY A 33 -7.301 1.260 0.961 1.00 0.00 C ATOM 493 O GLY A 33 -8.227 0.602 1.393 1.00 0.00 O ATOM 0 H GLY A 33 -4.229 1.666 0.244 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -5.819 0.102 2.023 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.562 1.833 2.108 1.00 0.00 H new ATOM 497 N SER A 34 -7.495 2.199 0.079 1.00 0.00 N ATOM 498 CA SER A 34 -8.872 2.480 -0.415 1.00 0.00 C ATOM 499 C SER A 34 -9.431 1.242 -1.118 1.00 0.00 C ATOM 500 O SER A 34 -10.575 0.875 -0.937 1.00 0.00 O ATOM 501 CB SER A 34 -8.834 3.652 -1.395 1.00 0.00 C ATOM 502 OG SER A 34 -10.155 3.941 -1.834 1.00 0.00 O ATOM 0 H SER A 34 -6.761 2.784 -0.321 1.00 0.00 H new ATOM 0 HA SER A 34 -9.513 2.734 0.429 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.398 4.528 -0.915 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.201 3.408 -2.248 1.00 0.00 H new ATOM 0 HG SER A 34 -10.134 4.693 -2.462 1.00 0.00 H new ATOM 508 N TYR A 35 -8.635 0.601 -1.925 1.00 0.00 N ATOM 509 CA TYR A 35 -9.122 -0.608 -2.650 1.00 0.00 C ATOM 510 C TYR A 35 -9.567 -1.669 -1.637 1.00 0.00 C ATOM 511 O TYR A 35 -10.621 -2.259 -1.765 1.00 0.00 O ATOM 512 CB TYR A 35 -7.985 -1.168 -3.512 1.00 0.00 C ATOM 513 CG TYR A 35 -8.453 -2.416 -4.237 1.00 0.00 C ATOM 514 CD1 TYR A 35 -9.081 -2.307 -5.484 1.00 0.00 C ATOM 515 CD2 TYR A 35 -8.260 -3.681 -3.661 1.00 0.00 C ATOM 516 CE1 TYR A 35 -9.511 -3.458 -6.156 1.00 0.00 C ATOM 517 CE2 TYR A 35 -8.692 -4.831 -4.334 1.00 0.00 C ATOM 518 CZ TYR A 35 -9.316 -4.719 -5.581 1.00 0.00 C ATOM 519 OH TYR A 35 -9.740 -5.852 -6.245 1.00 0.00 O ATOM 0 H TYR A 35 -7.667 0.861 -2.115 1.00 0.00 H new ATOM 0 HA TYR A 35 -9.967 -0.340 -3.285 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.661 -0.418 -4.233 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.124 -1.402 -2.886 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -9.234 -1.334 -5.928 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.778 -3.768 -2.698 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.993 -3.372 -7.119 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.543 -5.804 -3.890 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.528 -6.644 -5.709 1.00 0.00 H new ATOM 529 N LEU A 36 -8.769 -1.917 -0.635 1.00 0.00 N ATOM 530 CA LEU A 36 -9.145 -2.943 0.380 1.00 0.00 C ATOM 531 C LEU A 36 -10.418 -2.497 1.098 1.00 0.00 C ATOM 532 O LEU A 36 -11.294 -3.291 1.368 1.00 0.00 O ATOM 533 CB LEU A 36 -8.007 -3.106 1.400 1.00 0.00 C ATOM 534 CG LEU A 36 -6.756 -3.717 0.731 1.00 0.00 C ATOM 535 CD1 LEU A 36 -5.563 -3.593 1.688 1.00 0.00 C ATOM 536 CD2 LEU A 36 -6.979 -5.207 0.395 1.00 0.00 C ATOM 0 H LEU A 36 -7.874 -1.455 -0.475 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.319 -3.898 -0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.758 -2.137 1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.336 -3.745 2.220 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.561 -3.177 -0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.676 -4.023 1.222 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.383 -2.541 1.910 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.781 -4.127 2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.083 -5.612 -0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.189 -5.759 1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.822 -5.304 -0.289 1.00 0.00 H new ATOM 548 N ALA A 37 -10.537 -1.235 1.409 1.00 0.00 N ATOM 549 CA ALA A 37 -11.766 -0.756 2.115 1.00 0.00 C ATOM 550 C ALA A 37 -13.011 -1.217 1.349 1.00 0.00 C ATOM 551 O ALA A 37 -13.945 -1.743 1.919 1.00 0.00 O ATOM 552 CB ALA A 37 -11.752 0.772 2.184 1.00 0.00 C ATOM 0 H ALA A 37 -9.842 -0.516 1.207 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.786 -1.168 3.124 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -12.647 1.121 2.698 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.868 1.104 2.729 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.731 1.182 1.174 1.00 0.00 H new ATOM 558 N LYS A 38 -13.027 -1.021 0.064 1.00 0.00 N ATOM 559 CA LYS A 38 -14.206 -1.444 -0.742 1.00 0.00 C ATOM 560 C LYS A 38 -14.346 -2.968 -0.673 1.00 0.00 C ATOM 561 O LYS A 38 -15.433 -3.496 -0.551 1.00 0.00 O ATOM 562 CB LYS A 38 -14.000 -1.019 -2.199 1.00 0.00 C ATOM 563 CG LYS A 38 -13.774 0.500 -2.299 1.00 0.00 C ATOM 564 CD LYS A 38 -15.031 1.280 -1.866 1.00 0.00 C ATOM 565 CE LYS A 38 -14.911 2.744 -2.305 1.00 0.00 C ATOM 566 NZ LYS A 38 -16.148 3.478 -1.920 1.00 0.00 N ATOM 0 H LYS A 38 -12.273 -0.585 -0.467 1.00 0.00 H new ATOM 0 HA LYS A 38 -15.108 -0.976 -0.348 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.144 -1.547 -2.619 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.870 -1.301 -2.791 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.930 0.787 -1.671 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.513 0.765 -3.324 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -15.920 0.830 -2.308 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.150 1.224 -0.784 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.041 3.205 -1.838 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.762 2.801 -3.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -16.069 4.472 -2.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -16.969 3.042 -2.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -16.271 3.434 -0.888 1.00 0.00 H new ATOM 580 N ASN A 39 -13.254 -3.683 -0.752 1.00 0.00 N ATOM 581 CA ASN A 39 -13.317 -5.179 -0.694 1.00 0.00 C ATOM 582 C ASN A 39 -13.226 -5.632 0.766 1.00 0.00 C ATOM 583 O ASN A 39 -13.101 -6.806 1.054 1.00 0.00 O ATOM 584 CB ASN A 39 -12.144 -5.763 -1.485 1.00 0.00 C ATOM 585 CG ASN A 39 -12.266 -5.367 -2.960 1.00 0.00 C ATOM 586 OD1 ASN A 39 -13.428 -5.018 -3.441 1.00 0.00 O flip ATOM 587 ND2 ASN A 39 -11.289 -5.372 -3.681 1.00 0.00 N flip ATOM 0 H ASN A 39 -12.316 -3.296 -0.855 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.256 -5.526 -1.125 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.201 -5.398 -1.078 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.134 -6.849 -1.390 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.380 -5.644 -3.307 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.377 -5.104 -4.661 1.00 0.00 H new ATOM 594 N ASP A 40 -13.284 -4.706 1.691 1.00 0.00 N ATOM 595 CA ASP A 40 -13.199 -5.069 3.144 1.00 0.00 C ATOM 596 C ASP A 40 -13.929 -3.999 3.976 1.00 0.00 C ATOM 597 O ASP A 40 -13.303 -3.144 4.570 1.00 0.00 O ATOM 598 CB ASP A 40 -11.723 -5.133 3.566 1.00 0.00 C ATOM 599 CG ASP A 40 -11.604 -5.778 4.951 1.00 0.00 C ATOM 600 OD1 ASP A 40 -12.569 -5.720 5.694 1.00 0.00 O ATOM 601 OD2 ASP A 40 -10.550 -6.322 5.241 1.00 0.00 O ATOM 0 H ASP A 40 -13.387 -3.709 1.503 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.665 -6.040 3.311 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.152 -5.708 2.837 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.297 -4.130 3.585 1.00 0.00 H new ATOM 606 N PRO A 41 -15.243 -4.044 4.024 1.00 0.00 N ATOM 607 CA PRO A 41 -16.049 -3.057 4.805 1.00 0.00 C ATOM 608 C PRO A 41 -15.744 -3.143 6.307 1.00 0.00 C ATOM 609 O PRO A 41 -15.287 -4.157 6.794 1.00 0.00 O ATOM 610 CB PRO A 41 -17.524 -3.430 4.504 1.00 0.00 C ATOM 611 CG PRO A 41 -17.469 -4.328 3.295 1.00 0.00 C ATOM 612 CD PRO A 41 -16.106 -5.028 3.351 1.00 0.00 C ATOM 0 HA PRO A 41 -15.820 -2.029 4.524 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -17.982 -3.940 5.352 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -18.122 -2.540 4.306 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -18.282 -5.054 3.311 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -17.574 -3.752 2.376 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -16.158 -5.964 3.908 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -15.738 -5.270 2.354 1.00 0.00 H new ATOM 620 N SER A 42 -15.990 -2.082 7.032 1.00 0.00 N ATOM 621 CA SER A 42 -15.716 -2.077 8.504 1.00 0.00 C ATOM 622 C SER A 42 -14.204 -1.961 8.740 1.00 0.00 C ATOM 623 O SER A 42 -13.743 -1.972 9.863 1.00 0.00 O ATOM 624 CB SER A 42 -16.273 -3.360 9.158 1.00 0.00 C ATOM 625 OG SER A 42 -16.676 -3.065 10.489 1.00 0.00 O ATOM 0 H SER A 42 -16.372 -1.210 6.665 1.00 0.00 H new ATOM 0 HA SER A 42 -16.214 -1.222 8.961 1.00 0.00 H new ATOM 0 HB2 SER A 42 -17.119 -3.738 8.584 1.00 0.00 H new ATOM 0 HB3 SER A 42 -15.514 -4.142 9.159 1.00 0.00 H new ATOM 0 HG SER A 42 -17.032 -3.875 10.910 1.00 0.00 H new ATOM 631 N PHE A 43 -13.431 -1.834 7.688 1.00 0.00 N ATOM 632 CA PHE A 43 -11.947 -1.694 7.843 1.00 0.00 C ATOM 633 C PHE A 43 -11.605 -0.195 7.881 1.00 0.00 C ATOM 634 O PHE A 43 -11.237 0.345 8.904 1.00 0.00 O ATOM 635 CB PHE A 43 -11.251 -2.375 6.642 1.00 0.00 C ATOM 636 CG PHE A 43 -9.788 -2.653 6.962 1.00 0.00 C ATOM 637 CD1 PHE A 43 -8.814 -1.673 6.725 1.00 0.00 C ATOM 638 CD2 PHE A 43 -9.412 -3.894 7.498 1.00 0.00 C ATOM 639 CE1 PHE A 43 -7.469 -1.936 7.023 1.00 0.00 C ATOM 640 CE2 PHE A 43 -8.070 -4.155 7.793 1.00 0.00 C ATOM 641 CZ PHE A 43 -7.098 -3.176 7.558 1.00 0.00 C ATOM 0 H PHE A 43 -13.765 -1.821 6.724 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.605 -2.168 8.763 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.760 -3.308 6.400 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.322 -1.735 5.762 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.099 -0.716 6.313 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.161 -4.650 7.683 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.718 -1.181 6.840 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.784 -5.113 8.202 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.062 -3.377 7.789 1.00 0.00 H new ATOM 651 N ASP A 44 -11.722 0.466 6.761 1.00 0.00 N ATOM 652 CA ASP A 44 -11.404 1.925 6.703 1.00 0.00 C ATOM 653 C ASP A 44 -9.970 2.161 7.221 1.00 0.00 C ATOM 654 O ASP A 44 -9.776 2.379 8.400 1.00 0.00 O ATOM 655 CB ASP A 44 -12.395 2.706 7.581 1.00 0.00 C ATOM 656 CG ASP A 44 -13.822 2.271 7.254 1.00 0.00 C ATOM 657 OD1 ASP A 44 -14.230 2.455 6.121 1.00 0.00 O ATOM 658 OD2 ASP A 44 -14.486 1.766 8.145 1.00 0.00 O ATOM 0 H ASP A 44 -12.026 0.057 5.878 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.482 2.269 5.672 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.182 2.527 8.635 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -12.282 3.777 7.410 1.00 0.00 H new ATOM 663 N PRO A 45 -8.974 2.114 6.361 1.00 0.00 N ATOM 664 CA PRO A 45 -7.550 2.332 6.774 1.00 0.00 C ATOM 665 C PRO A 45 -7.385 3.661 7.516 1.00 0.00 C ATOM 666 O PRO A 45 -6.613 3.780 8.443 1.00 0.00 O ATOM 667 CB PRO A 45 -6.773 2.351 5.438 1.00 0.00 C ATOM 668 CG PRO A 45 -7.641 1.595 4.477 1.00 0.00 C ATOM 669 CD PRO A 45 -9.086 1.856 4.916 1.00 0.00 C ATOM 0 HA PRO A 45 -7.194 1.563 7.460 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.600 3.371 5.096 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.796 1.880 5.542 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.477 1.934 3.454 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.413 0.529 4.501 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.516 2.708 4.390 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -9.727 0.999 4.711 1.00 0.00 H new ATOM 677 N ARG A 46 -8.110 4.654 7.092 1.00 0.00 N ATOM 678 CA ARG A 46 -8.018 5.989 7.742 1.00 0.00 C ATOM 679 C ARG A 46 -8.379 5.846 9.224 1.00 0.00 C ATOM 680 O ARG A 46 -7.729 6.402 10.085 1.00 0.00 O ATOM 681 CB ARG A 46 -9.007 6.927 7.052 1.00 0.00 C ATOM 682 CG ARG A 46 -8.502 7.292 5.645 1.00 0.00 C ATOM 683 CD ARG A 46 -9.598 8.076 4.887 1.00 0.00 C ATOM 684 NE ARG A 46 -8.987 8.871 3.772 1.00 0.00 N ATOM 685 CZ ARG A 46 -9.715 9.276 2.757 1.00 0.00 C ATOM 686 NH1 ARG A 46 -10.940 8.854 2.605 1.00 0.00 N ATOM 687 NH2 ARG A 46 -9.204 10.095 1.883 1.00 0.00 N ATOM 0 H ARG A 46 -8.769 4.598 6.315 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.009 6.392 7.658 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -9.984 6.449 6.983 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.136 7.832 7.646 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.595 7.893 5.718 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.242 6.388 5.095 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.339 7.384 4.487 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.121 8.741 5.574 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.994 9.100 3.802 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.342 8.202 3.279 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.496 9.176 1.812 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.243 10.419 1.989 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.765 10.413 1.093 1.00 0.00 H new ATOM 701 N ASN A 47 -9.425 5.122 9.523 1.00 0.00 N ATOM 702 CA ASN A 47 -9.852 4.953 10.949 1.00 0.00 C ATOM 703 C ASN A 47 -8.639 4.587 11.819 1.00 0.00 C ATOM 704 O ASN A 47 -8.559 4.964 12.970 1.00 0.00 O ATOM 705 CB ASN A 47 -10.895 3.831 11.028 1.00 0.00 C ATOM 706 CG ASN A 47 -11.341 3.637 12.479 1.00 0.00 C ATOM 707 OD1 ASN A 47 -11.304 4.560 13.268 1.00 0.00 O ATOM 708 ND2 ASN A 47 -11.759 2.463 12.869 1.00 0.00 N ATOM 0 H ASN A 47 -10.007 4.637 8.840 1.00 0.00 H new ATOM 0 HA ASN A 47 -10.282 5.886 11.313 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.754 4.077 10.404 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -10.474 2.903 10.640 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -12.054 2.322 13.835 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.791 1.687 12.207 1.00 0.00 H new ATOM 715 N TRP A 48 -7.692 3.865 11.267 1.00 0.00 N ATOM 716 CA TRP A 48 -6.460 3.474 12.035 1.00 0.00 C ATOM 717 C TRP A 48 -5.231 3.723 11.142 1.00 0.00 C ATOM 718 O TRP A 48 -4.248 3.016 11.212 1.00 0.00 O ATOM 719 CB TRP A 48 -6.559 1.985 12.423 1.00 0.00 C ATOM 720 CG TRP A 48 -6.328 1.115 11.229 1.00 0.00 C ATOM 721 CD1 TRP A 48 -7.237 0.857 10.261 1.00 0.00 C ATOM 722 CD2 TRP A 48 -5.120 0.398 10.860 1.00 0.00 C ATOM 723 NE1 TRP A 48 -6.659 0.028 9.318 1.00 0.00 N ATOM 724 CE2 TRP A 48 -5.353 -0.285 9.646 1.00 0.00 C ATOM 725 CE3 TRP A 48 -3.852 0.276 11.458 1.00 0.00 C ATOM 726 CZ2 TRP A 48 -4.362 -1.062 9.045 1.00 0.00 C ATOM 727 CZ3 TRP A 48 -2.856 -0.507 10.858 1.00 0.00 C ATOM 728 CH2 TRP A 48 -3.111 -1.174 9.653 1.00 0.00 C ATOM 0 H TRP A 48 -7.718 3.525 10.306 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.367 4.065 12.946 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.825 1.755 13.195 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -7.542 1.778 12.846 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.248 1.236 10.230 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.137 -0.311 8.483 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -3.645 0.789 12.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -4.562 -1.574 8.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.887 -0.596 11.327 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.340 -1.775 9.195 1.00 0.00 H new ATOM 739 N GLY A 49 -5.299 4.715 10.293 1.00 0.00 N ATOM 740 CA GLY A 49 -4.157 5.008 9.379 1.00 0.00 C ATOM 741 C GLY A 49 -2.915 5.371 10.192 1.00 0.00 C ATOM 742 O GLY A 49 -2.009 4.577 10.340 1.00 0.00 O ATOM 0 H GLY A 49 -6.101 5.338 10.194 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.950 4.140 8.752 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.417 5.829 8.711 1.00 0.00 H new ATOM 746 N HIS A 50 -2.867 6.571 10.707 1.00 0.00 N ATOM 747 CA HIS A 50 -1.690 7.008 11.516 1.00 0.00 C ATOM 748 C HIS A 50 -0.393 6.830 10.715 1.00 0.00 C ATOM 749 O HIS A 50 0.688 7.077 11.211 1.00 0.00 O ATOM 750 CB HIS A 50 -1.619 6.171 12.798 1.00 0.00 C ATOM 751 CG HIS A 50 -0.541 6.705 13.698 1.00 0.00 C ATOM 752 ND1 HIS A 50 0.789 6.334 13.563 1.00 0.00 N ATOM 753 CD2 HIS A 50 -0.580 7.576 14.758 1.00 0.00 C ATOM 754 CE1 HIS A 50 1.486 6.973 14.518 1.00 0.00 C ATOM 755 NE2 HIS A 50 0.701 7.745 15.275 1.00 0.00 N ATOM 0 H HIS A 50 -3.599 7.274 10.601 1.00 0.00 H new ATOM 0 HA HIS A 50 -1.804 8.063 11.767 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -2.580 6.196 13.312 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.416 5.129 12.552 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -1.470 8.058 15.134 1.00 0.00 H new ATOM 0 HE1 HIS A 50 2.552 6.874 14.657 1.00 0.00 H new ATOM 0 HE2 HIS A 50 0.980 8.331 16.062 1.00 0.00 H new ATOM 763 N GLY A 51 -0.486 6.419 9.481 1.00 0.00 N ATOM 764 CA GLY A 51 0.742 6.239 8.650 1.00 0.00 C ATOM 765 C GLY A 51 1.497 4.974 9.085 1.00 0.00 C ATOM 766 O GLY A 51 2.329 4.463 8.361 1.00 0.00 O ATOM 0 H GLY A 51 -1.363 6.199 9.008 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.470 6.165 7.597 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.389 7.110 8.751 1.00 0.00 H new ATOM 770 N ARG A 52 1.226 4.473 10.262 1.00 0.00 N ATOM 771 CA ARG A 52 1.947 3.252 10.737 1.00 0.00 C ATOM 772 C ARG A 52 1.654 2.086 9.777 1.00 0.00 C ATOM 773 O ARG A 52 2.196 1.006 9.911 1.00 0.00 O ATOM 774 CB ARG A 52 1.475 2.907 12.174 1.00 0.00 C ATOM 775 CG ARG A 52 0.040 2.343 12.141 1.00 0.00 C ATOM 776 CD ARG A 52 -0.628 2.392 13.535 1.00 0.00 C ATOM 777 NE ARG A 52 0.041 1.511 14.547 1.00 0.00 N ATOM 778 CZ ARG A 52 -0.078 0.208 14.505 1.00 0.00 C ATOM 779 NH1 ARG A 52 -0.489 -0.400 13.429 1.00 0.00 N ATOM 780 NH2 ARG A 52 0.241 -0.495 15.556 1.00 0.00 N ATOM 0 H ARG A 52 0.540 4.854 10.913 1.00 0.00 H new ATOM 0 HA ARG A 52 3.022 3.432 10.754 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.150 2.178 12.621 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.509 3.799 12.800 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.559 2.913 11.431 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.062 1.313 11.784 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.620 3.420 13.897 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.673 2.095 13.440 1.00 0.00 H new ATOM 0 HE ARG A 52 0.602 1.937 15.285 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.726 0.140 12.597 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.574 -1.416 13.419 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.579 -0.029 16.398 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.153 -1.511 15.536 1.00 0.00 H new ATOM 794 N LEU A 53 0.808 2.306 8.804 1.00 0.00 N ATOM 795 CA LEU A 53 0.488 1.220 7.831 1.00 0.00 C ATOM 796 C LEU A 53 1.766 0.841 7.076 1.00 0.00 C ATOM 797 O LEU A 53 2.069 -0.319 6.889 1.00 0.00 O ATOM 798 CB LEU A 53 -0.574 1.731 6.838 1.00 0.00 C ATOM 799 CG LEU A 53 -0.913 0.667 5.770 1.00 0.00 C ATOM 800 CD1 LEU A 53 -1.433 -0.628 6.425 1.00 0.00 C ATOM 801 CD2 LEU A 53 -1.986 1.239 4.832 1.00 0.00 C ATOM 0 H LEU A 53 0.326 3.190 8.642 1.00 0.00 H new ATOM 0 HA LEU A 53 0.101 0.346 8.354 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.479 2.004 7.381 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.211 2.635 6.349 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.010 0.423 5.211 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.664 -1.360 5.651 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.669 -1.032 7.090 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.334 -0.409 6.998 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.236 0.499 4.072 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.879 1.485 5.407 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.606 2.140 4.350 1.00 0.00 H new ATOM 813 N SER A 54 2.520 1.816 6.650 1.00 0.00 N ATOM 814 CA SER A 54 3.782 1.518 5.918 1.00 0.00 C ATOM 815 C SER A 54 4.760 0.810 6.860 1.00 0.00 C ATOM 816 O SER A 54 5.521 -0.050 6.460 1.00 0.00 O ATOM 817 CB SER A 54 4.394 2.827 5.416 1.00 0.00 C ATOM 818 OG SER A 54 4.619 3.693 6.520 1.00 0.00 O ATOM 0 H SER A 54 2.316 2.807 6.777 1.00 0.00 H new ATOM 0 HA SER A 54 3.573 0.869 5.067 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.332 2.628 4.898 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.727 3.302 4.697 1.00 0.00 H new ATOM 0 HG SER A 54 5.576 3.715 6.729 1.00 0.00 H new ATOM 824 N GLN A 55 4.747 1.167 8.116 1.00 0.00 N ATOM 825 CA GLN A 55 5.668 0.517 9.096 1.00 0.00 C ATOM 826 C GLN A 55 5.156 -0.895 9.423 1.00 0.00 C ATOM 827 O GLN A 55 5.927 -1.798 9.672 1.00 0.00 O ATOM 828 CB GLN A 55 5.729 1.365 10.383 1.00 0.00 C ATOM 829 CG GLN A 55 6.614 2.601 10.162 1.00 0.00 C ATOM 830 CD GLN A 55 6.059 3.433 9.006 1.00 0.00 C ATOM 831 OE1 GLN A 55 6.566 3.372 7.904 1.00 0.00 O ATOM 832 NE2 GLN A 55 5.031 4.212 9.211 1.00 0.00 N ATOM 0 H GLN A 55 4.136 1.884 8.508 1.00 0.00 H new ATOM 0 HA GLN A 55 6.667 0.444 8.667 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.724 1.675 10.671 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.126 0.767 11.203 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.649 3.202 11.071 1.00 0.00 H new ATOM 0 HG3 GLN A 55 7.637 2.293 9.943 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.606 4.262 10.137 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.653 4.770 8.445 1.00 0.00 H new ATOM 841 N MET A 56 3.863 -1.093 9.438 1.00 0.00 N ATOM 842 CA MET A 56 3.322 -2.447 9.762 1.00 0.00 C ATOM 843 C MET A 56 3.785 -3.453 8.701 1.00 0.00 C ATOM 844 O MET A 56 4.238 -4.535 9.015 1.00 0.00 O ATOM 845 CB MET A 56 1.790 -2.389 9.783 1.00 0.00 C ATOM 846 CG MET A 56 1.216 -3.747 10.203 1.00 0.00 C ATOM 847 SD MET A 56 -0.592 -3.636 10.283 1.00 0.00 S ATOM 848 CE MET A 56 -0.939 -4.045 8.552 1.00 0.00 C ATOM 0 H MET A 56 3.161 -0.379 9.241 1.00 0.00 H new ATOM 0 HA MET A 56 3.688 -2.762 10.739 1.00 0.00 H new ATOM 0 HB2 MET A 56 1.457 -1.615 10.475 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.415 -2.117 8.796 1.00 0.00 H new ATOM 0 HG2 MET A 56 1.513 -4.516 9.490 1.00 0.00 H new ATOM 0 HG3 MET A 56 1.617 -4.040 11.173 1.00 0.00 H new ATOM 0 HE1 MET A 56 -2.016 -4.032 8.384 1.00 0.00 H new ATOM 0 HE2 MET A 56 -0.461 -3.312 7.902 1.00 0.00 H new ATOM 0 HE3 MET A 56 -0.549 -5.038 8.327 1.00 0.00 H new ATOM 858 N VAL A 57 3.667 -3.103 7.449 1.00 0.00 N ATOM 859 CA VAL A 57 4.092 -4.037 6.364 1.00 0.00 C ATOM 860 C VAL A 57 5.615 -4.183 6.372 1.00 0.00 C ATOM 861 O VAL A 57 6.160 -5.161 5.900 1.00 0.00 O ATOM 862 CB VAL A 57 3.633 -3.495 5.004 1.00 0.00 C ATOM 863 CG1 VAL A 57 2.104 -3.500 4.939 1.00 0.00 C ATOM 864 CG2 VAL A 57 4.137 -2.063 4.823 1.00 0.00 C ATOM 0 H VAL A 57 3.294 -2.209 7.129 1.00 0.00 H new ATOM 0 HA VAL A 57 3.637 -5.013 6.535 1.00 0.00 H new ATOM 0 HB VAL A 57 4.037 -4.127 4.213 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.780 -3.115 3.972 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.738 -4.519 5.065 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.704 -2.870 5.733 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.809 -1.681 3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.736 -1.433 5.617 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.226 -2.052 4.867 1.00 0.00 H new ATOM 874 N LYS A 58 6.306 -3.211 6.898 1.00 0.00 N ATOM 875 CA LYS A 58 7.793 -3.282 6.932 1.00 0.00 C ATOM 876 C LYS A 58 8.226 -4.498 7.754 1.00 0.00 C ATOM 877 O LYS A 58 9.245 -5.105 7.493 1.00 0.00 O ATOM 878 CB LYS A 58 8.338 -2.001 7.574 1.00 0.00 C ATOM 879 CG LYS A 58 9.863 -1.942 7.429 1.00 0.00 C ATOM 880 CD LYS A 58 10.421 -0.737 8.205 1.00 0.00 C ATOM 881 CE LYS A 58 9.982 0.590 7.559 1.00 0.00 C ATOM 882 NZ LYS A 58 10.837 1.698 8.078 1.00 0.00 N ATOM 0 H LYS A 58 5.904 -2.368 7.307 1.00 0.00 H new ATOM 0 HA LYS A 58 8.184 -3.378 5.919 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.887 -1.129 7.101 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.064 -1.970 8.629 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.308 -2.864 7.804 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.133 -1.863 6.376 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.075 -0.774 9.238 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.509 -0.790 8.231 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.069 0.526 6.474 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.934 0.788 7.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.543 2.596 7.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.733 1.762 9.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.832 1.509 7.842 1.00 0.00 H new ATOM 896 N LYS A 59 7.462 -4.858 8.749 1.00 0.00 N ATOM 897 CA LYS A 59 7.840 -6.032 9.586 1.00 0.00 C ATOM 898 C LYS A 59 7.658 -7.319 8.778 1.00 0.00 C ATOM 899 O LYS A 59 7.948 -8.402 9.250 1.00 0.00 O ATOM 900 CB LYS A 59 6.932 -6.074 10.816 1.00 0.00 C ATOM 901 CG LYS A 59 7.193 -4.844 11.689 1.00 0.00 C ATOM 902 CD LYS A 59 6.266 -4.877 12.907 1.00 0.00 C ATOM 903 CE LYS A 59 6.571 -3.682 13.809 1.00 0.00 C ATOM 904 NZ LYS A 59 6.291 -2.418 13.071 1.00 0.00 N ATOM 0 H LYS A 59 6.595 -4.392 9.018 1.00 0.00 H new ATOM 0 HA LYS A 59 8.882 -5.945 9.894 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.887 -6.099 10.508 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.118 -6.984 11.387 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.234 -4.828 12.011 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.023 -3.934 11.114 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.225 -4.848 12.586 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.404 -5.807 13.458 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.963 -3.730 14.713 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.614 -3.708 14.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.183 -1.637 13.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.080 -2.210 12.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.414 -2.524 12.522 1.00 0.00 H new ATOM 918 N LEU A 60 7.186 -7.208 7.556 1.00 0.00 N ATOM 919 CA LEU A 60 6.983 -8.417 6.687 1.00 0.00 C ATOM 920 C LEU A 60 8.114 -8.481 5.652 1.00 0.00 C ATOM 921 O LEU A 60 8.336 -7.555 4.898 1.00 0.00 O ATOM 922 CB LEU A 60 5.633 -8.298 5.970 1.00 0.00 C ATOM 923 CG LEU A 60 4.508 -8.056 6.994 1.00 0.00 C ATOM 924 CD1 LEU A 60 3.175 -7.924 6.248 1.00 0.00 C ATOM 925 CD2 LEU A 60 4.430 -9.221 8.007 1.00 0.00 C ATOM 0 H LEU A 60 6.930 -6.323 7.119 1.00 0.00 H new ATOM 0 HA LEU A 60 6.992 -9.322 7.294 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.665 -7.478 5.253 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.431 -9.208 5.405 1.00 0.00 H new ATOM 0 HG LEU A 60 4.719 -7.140 7.545 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.372 -7.752 6.965 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.228 -7.085 5.555 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.976 -8.841 5.693 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.629 -9.029 8.721 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.228 -10.152 7.476 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.378 -9.305 8.539 1.00 0.00 H new ATOM 937 N ASP A 61 8.840 -9.567 5.629 1.00 0.00 N ATOM 938 CA ASP A 61 9.976 -9.704 4.668 1.00 0.00 C ATOM 939 C ASP A 61 9.478 -9.943 3.235 1.00 0.00 C ATOM 940 O ASP A 61 10.065 -9.468 2.284 1.00 0.00 O ATOM 941 CB ASP A 61 10.857 -10.882 5.097 1.00 0.00 C ATOM 942 CG ASP A 61 10.017 -12.160 5.180 1.00 0.00 C ATOM 943 OD1 ASP A 61 8.802 -12.058 5.107 1.00 0.00 O ATOM 944 OD2 ASP A 61 10.604 -13.220 5.315 1.00 0.00 O ATOM 0 H ASP A 61 8.694 -10.372 6.239 1.00 0.00 H new ATOM 0 HA ASP A 61 10.545 -8.774 4.679 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.670 -11.017 4.384 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.313 -10.673 6.065 1.00 0.00 H new ATOM 949 N PHE A 62 8.423 -10.698 3.059 1.00 0.00 N ATOM 950 CA PHE A 62 7.932 -10.982 1.670 1.00 0.00 C ATOM 951 C PHE A 62 7.277 -9.737 1.053 1.00 0.00 C ATOM 952 O PHE A 62 6.538 -9.833 0.092 1.00 0.00 O ATOM 953 CB PHE A 62 6.935 -12.149 1.700 1.00 0.00 C ATOM 954 CG PHE A 62 5.683 -11.756 2.461 1.00 0.00 C ATOM 955 CD1 PHE A 62 5.635 -11.903 3.854 1.00 0.00 C ATOM 956 CD2 PHE A 62 4.567 -11.256 1.774 1.00 0.00 C ATOM 957 CE1 PHE A 62 4.478 -11.548 4.556 1.00 0.00 C ATOM 958 CE2 PHE A 62 3.411 -10.900 2.478 1.00 0.00 C ATOM 959 CZ PHE A 62 3.366 -11.046 3.868 1.00 0.00 C ATOM 0 H PHE A 62 7.882 -11.129 3.809 1.00 0.00 H new ATOM 0 HA PHE A 62 8.786 -11.255 1.050 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.674 -12.438 0.682 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.396 -13.018 2.170 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.491 -12.290 4.386 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.600 -11.146 0.700 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.442 -11.661 5.629 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.554 -10.513 1.948 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.474 -10.772 4.411 1.00 0.00 H new ATOM 969 N LEU A 63 7.562 -8.569 1.585 1.00 0.00 N ATOM 970 CA LEU A 63 6.982 -7.295 1.028 1.00 0.00 C ATOM 971 C LEU A 63 8.077 -6.224 0.990 1.00 0.00 C ATOM 972 O LEU A 63 8.710 -5.928 1.984 1.00 0.00 O ATOM 973 CB LEU A 63 5.810 -6.834 1.928 1.00 0.00 C ATOM 974 CG LEU A 63 4.510 -7.624 1.588 1.00 0.00 C ATOM 975 CD1 LEU A 63 3.585 -7.675 2.812 1.00 0.00 C ATOM 976 CD2 LEU A 63 3.757 -6.939 0.431 1.00 0.00 C ATOM 0 H LEU A 63 8.177 -8.440 2.389 1.00 0.00 H new ATOM 0 HA LEU A 63 6.608 -7.460 0.017 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.069 -6.984 2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.639 -5.766 1.792 1.00 0.00 H new ATOM 0 HG LEU A 63 4.793 -8.635 1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.681 -8.229 2.562 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.098 -8.171 3.636 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.318 -6.661 3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.851 -7.501 0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.491 -5.923 0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.396 -6.908 -0.451 1.00 0.00 H new ATOM 988 N THR A 64 8.295 -5.634 -0.158 1.00 0.00 N ATOM 989 CA THR A 64 9.337 -4.567 -0.289 1.00 0.00 C ATOM 990 C THR A 64 8.675 -3.207 -0.064 1.00 0.00 C ATOM 991 O THR A 64 7.620 -2.929 -0.609 1.00 0.00 O ATOM 992 CB THR A 64 9.940 -4.624 -1.696 1.00 0.00 C ATOM 993 OG1 THR A 64 10.503 -5.909 -1.917 1.00 0.00 O ATOM 994 CG2 THR A 64 11.029 -3.561 -1.840 1.00 0.00 C ATOM 0 H THR A 64 7.791 -5.847 -1.019 1.00 0.00 H new ATOM 0 HA THR A 64 10.128 -4.717 0.446 1.00 0.00 H new ATOM 0 HB THR A 64 9.156 -4.435 -2.429 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.888 -5.947 -2.818 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.453 -3.608 -2.843 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.598 -2.574 -1.674 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.814 -3.742 -1.106 1.00 0.00 H new ATOM 1002 N VAL A 65 9.282 -2.359 0.739 1.00 0.00 N ATOM 1003 CA VAL A 65 8.702 -1.000 1.028 1.00 0.00 C ATOM 1004 C VAL A 65 9.630 0.079 0.474 1.00 0.00 C ATOM 1005 O VAL A 65 10.823 0.074 0.709 1.00 0.00 O ATOM 1006 CB VAL A 65 8.573 -0.818 2.548 1.00 0.00 C ATOM 1007 CG1 VAL A 65 7.979 0.564 2.862 1.00 0.00 C ATOM 1008 CG2 VAL A 65 7.656 -1.906 3.109 1.00 0.00 C ATOM 0 H VAL A 65 10.165 -2.552 1.212 1.00 0.00 H new ATOM 0 HA VAL A 65 7.722 -0.916 0.559 1.00 0.00 H new ATOM 0 HB VAL A 65 9.559 -0.894 3.005 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.891 0.685 3.942 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.632 1.340 2.462 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.993 0.648 2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.561 -1.781 4.188 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.672 -1.827 2.647 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.080 -2.887 2.893 1.00 0.00 H new ATOM 1018 N GLN A 66 9.079 1.015 -0.255 1.00 0.00 N ATOM 1019 CA GLN A 66 9.898 2.121 -0.833 1.00 0.00 C ATOM 1020 C GLN A 66 9.018 3.367 -0.941 1.00 0.00 C ATOM 1021 O GLN A 66 7.836 3.272 -1.210 1.00 0.00 O ATOM 1022 CB GLN A 66 10.392 1.710 -2.225 1.00 0.00 C ATOM 1023 CG GLN A 66 11.285 2.809 -2.807 1.00 0.00 C ATOM 1024 CD GLN A 66 11.933 2.307 -4.100 1.00 0.00 C ATOM 1025 OE1 GLN A 66 12.568 1.270 -4.110 1.00 0.00 O ATOM 1026 NE2 GLN A 66 11.793 2.997 -5.197 1.00 0.00 N ATOM 0 H GLN A 66 8.084 1.060 -0.477 1.00 0.00 H new ATOM 0 HA GLN A 66 10.759 2.330 -0.198 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.947 0.774 -2.162 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.542 1.533 -2.884 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.696 3.704 -3.006 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.054 3.088 -2.086 1.00 0.00 H new ATOM 0 HE21 GLN A 66 11.260 3.867 -5.188 1.00 0.00 H new ATOM 0 HE22 GLN A 66 12.216 2.667 -6.064 1.00 0.00 H new ATOM 1035 N GLU A 67 9.580 4.534 -0.725 1.00 0.00 N ATOM 1036 CA GLU A 67 8.787 5.807 -0.804 1.00 0.00 C ATOM 1037 C GLU A 67 9.173 6.559 -2.075 1.00 0.00 C ATOM 1038 O GLU A 67 10.323 6.887 -2.287 1.00 0.00 O ATOM 1039 CB GLU A 67 9.119 6.675 0.412 1.00 0.00 C ATOM 1040 CG GLU A 67 8.586 6.000 1.678 1.00 0.00 C ATOM 1041 CD GLU A 67 8.978 6.819 2.913 1.00 0.00 C ATOM 1042 OE1 GLU A 67 9.625 7.841 2.748 1.00 0.00 O ATOM 1043 OE2 GLU A 67 8.625 6.407 4.006 1.00 0.00 O ATOM 0 H GLU A 67 10.565 4.661 -0.495 1.00 0.00 H new ATOM 0 HA GLU A 67 7.721 5.580 -0.819 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.197 6.817 0.488 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.675 7.664 0.299 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.501 5.908 1.622 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.988 4.990 1.758 1.00 0.00 H new ATOM 1050 N SER A 68 8.220 6.843 -2.921 1.00 0.00 N ATOM 1051 CA SER A 68 8.529 7.583 -4.179 1.00 0.00 C ATOM 1052 C SER A 68 8.679 9.069 -3.869 1.00 0.00 C ATOM 1053 O SER A 68 8.055 9.594 -2.961 1.00 0.00 O ATOM 1054 CB SER A 68 7.392 7.386 -5.181 1.00 0.00 C ATOM 1055 OG SER A 68 7.353 6.023 -5.580 1.00 0.00 O ATOM 0 H SER A 68 7.239 6.594 -2.795 1.00 0.00 H new ATOM 0 HA SER A 68 9.458 7.203 -4.605 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.441 7.673 -4.732 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.541 8.028 -6.049 1.00 0.00 H new ATOM 0 HG SER A 68 7.025 5.961 -6.501 1.00 0.00 H new ATOM 1061 N ARG A 69 9.502 9.755 -4.623 1.00 0.00 N ATOM 1062 CA ARG A 69 9.702 11.215 -4.386 1.00 0.00 C ATOM 1063 C ARG A 69 8.604 12.000 -5.109 1.00 0.00 C ATOM 1064 O ARG A 69 8.389 11.840 -6.294 1.00 0.00 O ATOM 1065 CB ARG A 69 11.088 11.648 -4.924 1.00 0.00 C ATOM 1066 CG ARG A 69 12.227 10.817 -4.284 1.00 0.00 C ATOM 1067 CD ARG A 69 12.244 10.975 -2.730 1.00 0.00 C ATOM 1068 NE ARG A 69 13.593 11.412 -2.239 1.00 0.00 N ATOM 1069 CZ ARG A 69 13.999 11.070 -1.032 1.00 0.00 C ATOM 1070 NH1 ARG A 69 13.463 10.057 -0.401 1.00 0.00 N ATOM 1071 NH2 ARG A 69 14.977 11.711 -0.459 1.00 0.00 N ATOM 0 H ARG A 69 10.044 9.364 -5.394 1.00 0.00 H new ATOM 0 HA ARG A 69 9.654 11.418 -3.316 1.00 0.00 H new ATOM 0 HB2 ARG A 69 11.113 11.529 -6.007 1.00 0.00 H new ATOM 0 HB3 ARG A 69 11.246 12.706 -4.716 1.00 0.00 H new ATOM 0 HG2 ARG A 69 12.102 9.766 -4.543 1.00 0.00 H new ATOM 0 HG3 ARG A 69 13.186 11.135 -4.694 1.00 0.00 H new ATOM 0 HD2 ARG A 69 11.492 11.704 -2.429 1.00 0.00 H new ATOM 0 HD3 ARG A 69 11.975 10.027 -2.263 1.00 0.00 H new ATOM 0 HE ARG A 69 14.196 11.974 -2.839 1.00 0.00 H new ATOM 0 HH11 ARG A 69 12.718 9.517 -0.842 1.00 0.00 H new ATOM 0 HH12 ARG A 69 13.790 9.807 0.532 1.00 0.00 H new ATOM 0 HH21 ARG A 69 15.434 12.483 -0.944 1.00 0.00 H new ATOM 0 HH22 ARG A 69 15.286 11.441 0.475 1.00 0.00 H new ATOM 1085 N ASN A 70 7.899 12.852 -4.394 1.00 0.00 N ATOM 1086 CA ASN A 70 6.801 13.658 -5.024 1.00 0.00 C ATOM 1087 C ASN A 70 6.659 15.003 -4.299 1.00 0.00 C ATOM 1088 O ASN A 70 5.897 15.136 -3.360 1.00 0.00 O ATOM 1089 CB ASN A 70 5.480 12.895 -4.923 1.00 0.00 C ATOM 1090 CG ASN A 70 4.377 13.696 -5.623 1.00 0.00 C ATOM 1091 OD1 ASN A 70 3.312 14.045 -4.955 1.00 0.00 O flip ATOM 1092 ND2 ASN A 70 4.491 14.012 -6.791 1.00 0.00 N flip ATOM 0 H ASN A 70 8.039 13.023 -3.398 1.00 0.00 H new ATOM 0 HA ASN A 70 7.047 13.833 -6.071 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.579 11.912 -5.383 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.220 12.733 -3.877 1.00 0.00 H new ATOM 0 HD21 ASN A 70 5.323 13.740 -7.314 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.754 14.550 -7.248 1.00 0.00 H new ATOM 1099 N GLY A 71 7.374 15.999 -4.739 1.00 0.00 N ATOM 1100 CA GLY A 71 7.272 17.336 -4.088 1.00 0.00 C ATOM 1101 C GLY A 71 7.629 17.219 -2.607 1.00 0.00 C ATOM 1102 O GLY A 71 8.534 16.502 -2.230 1.00 0.00 O ATOM 0 H GLY A 71 8.026 15.946 -5.522 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.943 18.042 -4.578 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.261 17.728 -4.198 1.00 0.00 H new ATOM 1106 N SER A 72 6.924 17.921 -1.760 1.00 0.00 N ATOM 1107 CA SER A 72 7.219 17.859 -0.295 1.00 0.00 C ATOM 1108 C SER A 72 6.468 16.690 0.340 1.00 0.00 C ATOM 1109 O SER A 72 6.670 16.380 1.497 1.00 0.00 O ATOM 1110 CB SER A 72 6.767 19.158 0.367 1.00 0.00 C ATOM 1111 OG SER A 72 5.353 19.261 0.280 1.00 0.00 O ATOM 0 H SER A 72 6.154 18.537 -2.019 1.00 0.00 H new ATOM 0 HA SER A 72 8.291 17.721 -0.153 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.081 19.176 1.411 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.236 20.012 -0.122 1.00 0.00 H new ATOM 0 HG SER A 72 5.059 20.093 0.706 1.00 0.00 H new ATOM 1117 N LYS A 73 5.598 16.040 -0.403 1.00 0.00 N ATOM 1118 CA LYS A 73 4.817 14.883 0.153 1.00 0.00 C ATOM 1119 C LYS A 73 5.418 13.573 -0.359 1.00 0.00 C ATOM 1120 O LYS A 73 5.512 13.345 -1.547 1.00 0.00 O ATOM 1121 CB LYS A 73 3.351 15.012 -0.310 1.00 0.00 C ATOM 1122 CG LYS A 73 2.500 13.803 0.138 1.00 0.00 C ATOM 1123 CD LYS A 73 2.465 13.696 1.677 1.00 0.00 C ATOM 1124 CE LYS A 73 1.330 12.762 2.117 1.00 0.00 C ATOM 1125 NZ LYS A 73 1.591 11.387 1.602 1.00 0.00 N ATOM 0 H LYS A 73 5.394 16.263 -1.377 1.00 0.00 H new ATOM 0 HA LYS A 73 4.858 14.886 1.242 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.921 15.929 0.094 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.319 15.097 -1.396 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.485 13.905 -0.247 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.911 12.887 -0.285 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.419 13.319 2.044 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.323 14.684 2.115 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.258 12.747 3.204 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.376 13.129 1.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.286 10.688 2.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.061 11.241 0.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.608 11.272 1.418 1.00 0.00 H new ATOM 1139 N LEU A 74 5.815 12.705 0.539 1.00 0.00 N ATOM 1140 CA LEU A 74 6.403 11.393 0.122 1.00 0.00 C ATOM 1141 C LEU A 74 5.263 10.396 -0.072 1.00 0.00 C ATOM 1142 O LEU A 74 4.420 10.231 0.788 1.00 0.00 O ATOM 1143 CB LEU A 74 7.347 10.886 1.230 1.00 0.00 C ATOM 1144 CG LEU A 74 8.642 11.737 1.281 1.00 0.00 C ATOM 1145 CD1 LEU A 74 9.368 11.480 2.610 1.00 0.00 C ATOM 1146 CD2 LEU A 74 9.589 11.370 0.115 1.00 0.00 C ATOM 0 H LEU A 74 5.757 12.849 1.547 1.00 0.00 H new ATOM 0 HA LEU A 74 6.965 11.505 -0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.840 10.929 2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.600 9.841 1.049 1.00 0.00 H new ATOM 0 HG LEU A 74 8.367 12.788 1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 74 10.279 12.077 2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.717 11.757 3.440 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.624 10.423 2.687 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.490 11.980 0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.859 10.316 0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.086 11.554 -0.834 1.00 0.00 H new ATOM 1158 N HIS A 75 5.232 9.722 -1.198 1.00 0.00 N ATOM 1159 CA HIS A 75 4.144 8.724 -1.460 1.00 0.00 C ATOM 1160 C HIS A 75 4.659 7.322 -1.138 1.00 0.00 C ATOM 1161 O HIS A 75 5.578 6.828 -1.758 1.00 0.00 O ATOM 1162 CB HIS A 75 3.737 8.799 -2.938 1.00 0.00 C ATOM 1163 CG HIS A 75 3.009 10.093 -3.192 1.00 0.00 C ATOM 1164 ND1 HIS A 75 2.190 10.674 -2.236 1.00 0.00 N ATOM 1165 CD2 HIS A 75 2.961 10.923 -4.283 1.00 0.00 C ATOM 1166 CE1 HIS A 75 1.690 11.804 -2.765 1.00 0.00 C ATOM 1167 NE2 HIS A 75 2.127 12.004 -4.012 1.00 0.00 N ATOM 0 H HIS A 75 5.915 9.820 -1.949 1.00 0.00 H new ATOM 0 HA HIS A 75 3.279 8.944 -0.834 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.620 8.735 -3.573 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.098 7.954 -3.194 1.00 0.00 H new ATOM 0 HD2 HIS A 75 3.490 10.762 -5.211 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.017 12.470 -2.245 1.00 0.00 H new ATOM 0 HE2 HIS A 75 1.899 12.781 -4.632 1.00 0.00 H new ATOM 1175 N SER A 76 4.065 6.678 -0.170 1.00 0.00 N ATOM 1176 CA SER A 76 4.509 5.306 0.199 1.00 0.00 C ATOM 1177 C SER A 76 4.081 4.329 -0.894 1.00 0.00 C ATOM 1178 O SER A 76 3.027 4.463 -1.484 1.00 0.00 O ATOM 1179 CB SER A 76 3.859 4.902 1.523 1.00 0.00 C ATOM 1180 OG SER A 76 4.291 5.789 2.545 1.00 0.00 O ATOM 0 H SER A 76 3.290 7.045 0.382 1.00 0.00 H new ATOM 0 HA SER A 76 5.594 5.287 0.305 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.773 4.933 1.433 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.129 3.877 1.777 1.00 0.00 H new ATOM 0 HG SER A 76 3.876 5.535 3.396 1.00 0.00 H new ATOM 1186 N GLU A 77 4.893 3.337 -1.160 1.00 0.00 N ATOM 1187 CA GLU A 77 4.555 2.320 -2.207 1.00 0.00 C ATOM 1188 C GLU A 77 5.048 0.953 -1.741 1.00 0.00 C ATOM 1189 O GLU A 77 6.011 0.846 -1.008 1.00 0.00 O ATOM 1190 CB GLU A 77 5.240 2.676 -3.529 1.00 0.00 C ATOM 1191 CG GLU A 77 4.633 3.958 -4.106 1.00 0.00 C ATOM 1192 CD GLU A 77 5.319 4.305 -5.430 1.00 0.00 C ATOM 1193 OE1 GLU A 77 6.226 3.585 -5.819 1.00 0.00 O ATOM 1194 OE2 GLU A 77 4.931 5.293 -6.034 1.00 0.00 O ATOM 0 H GLU A 77 5.786 3.185 -0.692 1.00 0.00 H new ATOM 0 HA GLU A 77 3.476 2.303 -2.359 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.310 2.811 -3.369 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.125 1.858 -4.240 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.563 3.826 -4.264 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.752 4.778 -3.398 1.00 0.00 H new ATOM 1201 N ILE A 78 4.389 -0.095 -2.165 1.00 0.00 N ATOM 1202 CA ILE A 78 4.798 -1.477 -1.760 1.00 0.00 C ATOM 1203 C ILE A 78 4.592 -2.439 -2.928 1.00 0.00 C ATOM 1204 O ILE A 78 3.701 -2.269 -3.737 1.00 0.00 O ATOM 1205 CB ILE A 78 3.949 -1.924 -0.563 1.00 0.00 C ATOM 1206 CG1 ILE A 78 2.455 -1.790 -0.900 1.00 0.00 C ATOM 1207 CG2 ILE A 78 4.275 -1.051 0.651 1.00 0.00 C ATOM 1208 CD1 ILE A 78 1.616 -2.371 0.240 1.00 0.00 C ATOM 0 H ILE A 78 3.577 -0.053 -2.781 1.00 0.00 H new ATOM 0 HA ILE A 78 5.852 -1.479 -1.480 1.00 0.00 H new ATOM 0 HB ILE A 78 4.174 -2.966 -0.337 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.200 -0.742 -1.055 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.234 -2.313 -1.831 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.671 -1.369 1.501 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.332 -1.152 0.898 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.055 -0.009 0.420 1.00 0.00 H new ATOM 0 HD11 ILE A 78 0.557 -2.275 -0.002 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.863 -3.424 0.374 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.829 -1.829 1.161 1.00 0.00 H new ATOM 1220 N ARG A 79 5.399 -3.465 -3.008 1.00 0.00 N ATOM 1221 CA ARG A 79 5.248 -4.467 -4.106 1.00 0.00 C ATOM 1222 C ARG A 79 5.848 -5.798 -3.641 1.00 0.00 C ATOM 1223 O ARG A 79 6.686 -5.836 -2.761 1.00 0.00 O ATOM 1224 CB ARG A 79 5.963 -3.980 -5.381 1.00 0.00 C ATOM 1225 CG ARG A 79 7.372 -3.461 -5.040 1.00 0.00 C ATOM 1226 CD ARG A 79 8.213 -3.328 -6.327 1.00 0.00 C ATOM 1227 NE ARG A 79 7.645 -2.257 -7.218 1.00 0.00 N ATOM 1228 CZ ARG A 79 7.426 -2.456 -8.506 1.00 0.00 C ATOM 1229 NH1 ARG A 79 7.402 -3.661 -9.022 1.00 0.00 N ATOM 1230 NH2 ARG A 79 7.165 -1.434 -9.267 1.00 0.00 N ATOM 0 H ARG A 79 6.161 -3.653 -2.356 1.00 0.00 H new ATOM 0 HA ARG A 79 4.191 -4.597 -4.339 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.033 -4.796 -6.101 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.381 -3.188 -5.852 1.00 0.00 H new ATOM 0 HG2 ARG A 79 7.301 -2.495 -4.541 1.00 0.00 H new ATOM 0 HG3 ARG A 79 7.861 -4.144 -4.345 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.245 -3.087 -6.071 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.230 -4.280 -6.858 1.00 0.00 H new ATOM 0 HE ARG A 79 7.422 -1.347 -6.815 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.555 -4.474 -8.426 1.00 0.00 H new ATOM 0 HH12 ARG A 79 7.231 -3.785 -10.020 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.132 -0.496 -8.868 1.00 0.00 H new ATOM 0 HH22 ARG A 79 6.994 -1.570 -10.263 1.00 0.00 H new ATOM 1244 N LEU A 80 5.421 -6.890 -4.219 1.00 0.00 N ATOM 1245 CA LEU A 80 5.958 -8.217 -3.803 1.00 0.00 C ATOM 1246 C LEU A 80 7.395 -8.363 -4.313 1.00 0.00 C ATOM 1247 O LEU A 80 7.710 -8.016 -5.433 1.00 0.00 O ATOM 1248 CB LEU A 80 5.083 -9.324 -4.405 1.00 0.00 C ATOM 1249 CG LEU A 80 3.635 -9.211 -3.882 1.00 0.00 C ATOM 1250 CD1 LEU A 80 2.734 -10.165 -4.681 1.00 0.00 C ATOM 1251 CD2 LEU A 80 3.559 -9.562 -2.376 1.00 0.00 C ATOM 0 H LEU A 80 4.723 -6.919 -4.962 1.00 0.00 H new ATOM 0 HA LEU A 80 5.950 -8.296 -2.716 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.090 -9.251 -5.493 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.494 -10.301 -4.149 1.00 0.00 H new ATOM 0 HG LEU A 80 3.297 -8.182 -4.009 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.710 -10.089 -4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.764 -9.895 -5.737 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.088 -11.188 -4.558 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.528 -9.474 -2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.907 -10.584 -2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.189 -8.876 -1.810 1.00 0.00 H new ATOM 1263 N ARG A 81 8.263 -8.875 -3.490 1.00 0.00 N ATOM 1264 CA ARG A 81 9.681 -9.053 -3.901 1.00 0.00 C ATOM 1265 C ARG A 81 9.767 -10.047 -5.065 1.00 0.00 C ATOM 1266 O ARG A 81 10.516 -9.856 -6.003 1.00 0.00 O ATOM 1267 CB ARG A 81 10.477 -9.582 -2.703 1.00 0.00 C ATOM 1268 CG ARG A 81 11.961 -9.713 -3.065 1.00 0.00 C ATOM 1269 CD ARG A 81 12.752 -10.168 -1.835 1.00 0.00 C ATOM 1270 NE ARG A 81 12.093 -11.364 -1.225 1.00 0.00 N ATOM 1271 CZ ARG A 81 12.646 -11.980 -0.215 1.00 0.00 C ATOM 1272 NH1 ARG A 81 13.803 -11.585 0.242 1.00 0.00 N ATOM 1273 NH2 ARG A 81 12.038 -12.993 0.334 1.00 0.00 N ATOM 0 H ARG A 81 8.049 -9.181 -2.541 1.00 0.00 H new ATOM 0 HA ARG A 81 10.094 -8.099 -4.227 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.361 -8.908 -1.855 1.00 0.00 H new ATOM 0 HB3 ARG A 81 10.084 -10.551 -2.396 1.00 0.00 H new ATOM 0 HG2 ARG A 81 12.086 -10.431 -3.876 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.344 -8.757 -3.423 1.00 0.00 H new ATOM 0 HD2 ARG A 81 13.776 -10.410 -2.119 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.806 -9.359 -1.106 1.00 0.00 H new ATOM 0 HE ARG A 81 11.206 -11.701 -1.600 1.00 0.00 H new ATOM 0 HH11 ARG A 81 14.278 -10.793 -0.190 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.232 -12.069 1.031 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.135 -13.301 -0.025 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.465 -13.478 1.123 1.00 0.00 H new