USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 449 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 Single : A 12 MET CE :methyl 178:sc= -2.18 (180deg=-2.28) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.0309 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HD1:sc= -4.16 X(o=-4.2,f=-4.3!) USER MOD Single : A 25 GLN : amide:sc= -0.337 X(o=-0.34,f=0) USER MOD Single : A 30 ASN : amide:sc= 0.977 K(o=0.98,f=-0.011) USER MOD Single : A 32 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00433) USER MOD Single : A 33 THR OG1 : rot 140:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc=-0.00801 X(o=-0.008,f=-0.27) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -36:sc= 0.601 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -131:sc= 0.367 (180deg=0.152) USER MOD Single : A 56 LYS NZ :NH3+ -116:sc= 0.0051 (180deg=0) USER MOD Single : A 57 TYR OH : rot -20:sc= 0.298 USER MOD Single : A 60 LYS NZ :NH3+ -171:sc= -2.02! (180deg=-2.14) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -147:sc= -0.211 (180deg=-1.52!) USER MOD ----------------------------------------------------------------- ATOM 129 N PRO A 11 0.069 0.779 -7.812 1.00 0.00 N ATOM 130 CA PRO A 11 -0.114 1.596 -6.608 1.00 0.00 C ATOM 131 C PRO A 11 -0.270 3.078 -6.932 1.00 0.00 C ATOM 132 O PRO A 11 0.403 3.603 -7.818 1.00 0.00 O ATOM 133 CB PRO A 11 1.174 1.354 -5.816 1.00 0.00 C ATOM 134 CG PRO A 11 2.185 0.978 -6.844 1.00 0.00 C ATOM 135 CD PRO A 11 1.433 0.234 -7.912 1.00 0.00 C ATOM 0 HA PRO A 11 -1.021 1.327 -6.066 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.477 2.248 -5.271 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.043 0.560 -5.080 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.672 1.863 -7.254 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.968 0.355 -6.412 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.863 0.405 -8.899 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.449 -0.842 -7.739 1.00 0.00 H new ATOM 143 N MET A 12 -1.160 3.746 -6.207 1.00 0.00 N ATOM 144 CA MET A 12 -1.402 5.169 -6.417 1.00 0.00 C ATOM 145 C MET A 12 -0.090 5.920 -6.617 1.00 0.00 C ATOM 146 O MET A 12 0.786 5.899 -5.753 1.00 0.00 O ATOM 147 CB MET A 12 -2.165 5.759 -5.229 1.00 0.00 C ATOM 148 CG MET A 12 -3.675 5.630 -5.351 1.00 0.00 C ATOM 149 SD MET A 12 -4.541 6.185 -3.870 1.00 0.00 S ATOM 150 CE MET A 12 -3.758 7.772 -3.595 1.00 0.00 C ATOM 0 H MET A 12 -1.725 3.326 -5.469 1.00 0.00 H new ATOM 0 HA MET A 12 -2.005 5.280 -7.318 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.839 5.262 -4.315 1.00 0.00 H new ATOM 0 HB3 MET A 12 -1.906 6.813 -5.129 1.00 0.00 H new ATOM 0 HG2 MET A 12 -4.018 6.212 -6.207 1.00 0.00 H new ATOM 0 HG3 MET A 12 -3.932 4.589 -5.549 1.00 0.00 H new ATOM 0 HE1 MET A 12 -4.212 8.257 -2.731 1.00 0.00 H new ATOM 0 HE2 MET A 12 -2.694 7.626 -3.411 1.00 0.00 H new ATOM 0 HE3 MET A 12 -3.891 8.401 -4.475 1.00 0.00 H new ATOM 160 N SER A 13 0.039 6.582 -7.762 1.00 0.00 N ATOM 161 CA SER A 13 1.246 7.336 -8.077 1.00 0.00 C ATOM 162 C SER A 13 1.253 8.679 -7.352 1.00 0.00 C ATOM 163 O SER A 13 0.200 9.236 -7.046 1.00 0.00 O ATOM 164 CB SER A 13 1.355 7.559 -9.587 1.00 0.00 C ATOM 165 OG SER A 13 0.342 8.438 -10.047 1.00 0.00 O ATOM 0 H SER A 13 -0.678 6.611 -8.487 1.00 0.00 H new ATOM 0 HA SER A 13 2.105 6.756 -7.740 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.335 7.971 -9.827 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.275 6.604 -10.106 1.00 0.00 H new ATOM 0 HG SER A 13 0.434 8.566 -11.014 1.00 0.00 H new ATOM 171 N ALA A 14 2.449 9.191 -7.081 1.00 0.00 N ATOM 172 CA ALA A 14 2.595 10.469 -6.394 1.00 0.00 C ATOM 173 C ALA A 14 1.511 11.451 -6.825 1.00 0.00 C ATOM 174 O ALA A 14 0.932 12.154 -5.997 1.00 0.00 O ATOM 175 CB ALA A 14 3.975 11.054 -6.655 1.00 0.00 C ATOM 0 H ALA A 14 3.331 8.741 -7.326 1.00 0.00 H new ATOM 0 HA ALA A 14 2.484 10.293 -5.324 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.070 12.008 -6.136 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.737 10.365 -6.290 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.108 11.209 -7.726 1.00 0.00 H new ATOM 181 N SER A 15 1.242 11.494 -8.126 1.00 0.00 N ATOM 182 CA SER A 15 0.231 12.394 -8.668 1.00 0.00 C ATOM 183 C SER A 15 -1.056 12.320 -7.852 1.00 0.00 C ATOM 184 O SER A 15 -1.612 13.343 -7.454 1.00 0.00 O ATOM 185 CB SER A 15 -0.059 12.049 -10.130 1.00 0.00 C ATOM 186 OG SER A 15 1.045 12.372 -10.959 1.00 0.00 O ATOM 0 H SER A 15 1.710 10.916 -8.824 1.00 0.00 H new ATOM 0 HA SER A 15 0.619 13.411 -8.612 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.285 10.986 -10.218 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.942 12.592 -10.467 1.00 0.00 H new ATOM 0 HG SER A 15 0.835 12.141 -11.888 1.00 0.00 H new ATOM 192 N ALA A 16 -1.524 11.100 -7.607 1.00 0.00 N ATOM 193 CA ALA A 16 -2.744 10.890 -6.837 1.00 0.00 C ATOM 194 C ALA A 16 -2.604 11.447 -5.424 1.00 0.00 C ATOM 195 O ALA A 16 -3.388 12.296 -5.000 1.00 0.00 O ATOM 196 CB ALA A 16 -3.090 9.409 -6.791 1.00 0.00 C ATOM 0 H ALA A 16 -1.077 10.242 -7.931 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.554 11.426 -7.332 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.003 9.266 -6.213 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.241 9.039 -7.805 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.274 8.859 -6.322 1.00 0.00 H new ATOM 202 N LEU A 17 -1.601 10.964 -4.700 1.00 0.00 N ATOM 203 CA LEU A 17 -1.358 11.413 -3.333 1.00 0.00 C ATOM 204 C LEU A 17 -1.527 12.925 -3.219 1.00 0.00 C ATOM 205 O LEU A 17 -2.333 13.412 -2.426 1.00 0.00 O ATOM 206 CB LEU A 17 0.048 11.010 -2.885 1.00 0.00 C ATOM 207 CG LEU A 17 0.223 9.554 -2.452 1.00 0.00 C ATOM 208 CD1 LEU A 17 -0.836 9.170 -1.430 1.00 0.00 C ATOM 209 CD2 LEU A 17 0.164 8.628 -3.658 1.00 0.00 C ATOM 0 H LEU A 17 -0.942 10.261 -5.036 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.090 10.934 -2.683 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.740 11.210 -3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.341 11.653 -2.055 1.00 0.00 H new ATOM 0 HG LEU A 17 1.203 9.449 -1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.696 8.131 -1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.746 9.812 -0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.826 9.292 -1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.290 7.596 -3.331 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.801 8.736 -4.153 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.960 8.888 -4.355 1.00 0.00 H new ATOM 221 N PHE A 18 -0.763 13.662 -4.017 1.00 0.00 N ATOM 222 CA PHE A 18 -0.828 15.119 -4.007 1.00 0.00 C ATOM 223 C PHE A 18 -2.274 15.599 -4.097 1.00 0.00 C ATOM 224 O PHE A 18 -2.696 16.478 -3.345 1.00 0.00 O ATOM 225 CB PHE A 18 -0.014 15.696 -5.167 1.00 0.00 C ATOM 226 CG PHE A 18 -0.226 17.168 -5.374 1.00 0.00 C ATOM 227 CD1 PHE A 18 -1.318 17.631 -6.090 1.00 0.00 C ATOM 228 CD2 PHE A 18 0.668 18.090 -4.853 1.00 0.00 C ATOM 229 CE1 PHE A 18 -1.516 18.985 -6.282 1.00 0.00 C ATOM 230 CE2 PHE A 18 0.475 19.445 -5.041 1.00 0.00 C ATOM 231 CZ PHE A 18 -0.618 19.894 -5.758 1.00 0.00 C ATOM 0 H PHE A 18 -0.091 13.275 -4.679 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.404 15.470 -3.066 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.045 15.512 -4.985 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.276 15.167 -6.083 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.023 16.925 -6.503 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.525 17.745 -4.294 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.372 19.332 -6.841 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.178 20.153 -4.628 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.769 20.953 -5.908 1.00 0.00 H new ATOM 241 N VAL A 19 -3.028 15.015 -5.023 1.00 0.00 N ATOM 242 CA VAL A 19 -4.427 15.382 -5.212 1.00 0.00 C ATOM 243 C VAL A 19 -5.229 15.167 -3.934 1.00 0.00 C ATOM 244 O VAL A 19 -5.922 16.070 -3.466 1.00 0.00 O ATOM 245 CB VAL A 19 -5.070 14.570 -6.352 1.00 0.00 C ATOM 246 CG1 VAL A 19 -6.533 14.951 -6.519 1.00 0.00 C ATOM 247 CG2 VAL A 19 -4.306 14.777 -7.651 1.00 0.00 C ATOM 0 H VAL A 19 -2.694 14.286 -5.654 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.445 16.440 -5.474 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.021 13.512 -6.093 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -6.971 14.367 -7.329 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.070 14.747 -5.593 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.608 16.012 -6.755 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.774 14.196 -8.445 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.321 15.834 -7.918 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.274 14.450 -7.522 1.00 0.00 H new ATOM 257 N GLN A 20 -5.130 13.965 -3.375 1.00 0.00 N ATOM 258 CA GLN A 20 -5.848 13.631 -2.150 1.00 0.00 C ATOM 259 C GLN A 20 -5.543 14.642 -1.049 1.00 0.00 C ATOM 260 O GLN A 20 -6.404 14.955 -0.225 1.00 0.00 O ATOM 261 CB GLN A 20 -5.475 12.223 -1.683 1.00 0.00 C ATOM 262 CG GLN A 20 -5.635 11.163 -2.761 1.00 0.00 C ATOM 263 CD GLN A 20 -7.017 10.539 -2.765 1.00 0.00 C ATOM 264 OE1 GLN A 20 -7.987 11.155 -3.207 1.00 0.00 O ATOM 265 NE2 GLN A 20 -7.113 9.310 -2.272 1.00 0.00 N ATOM 0 H GLN A 20 -4.560 13.207 -3.750 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.916 13.664 -2.364 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.441 12.225 -1.338 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.096 11.956 -0.828 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.439 11.609 -3.736 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.889 10.383 -2.612 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -6.282 8.837 -1.916 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.017 8.839 -2.249 1.00 0.00 H new ATOM 274 N ASP A 21 -4.315 15.148 -1.040 1.00 0.00 N ATOM 275 CA ASP A 21 -3.898 16.124 -0.040 1.00 0.00 C ATOM 276 C ASP A 21 -4.653 17.438 -0.214 1.00 0.00 C ATOM 277 O ASP A 21 -5.361 17.883 0.690 1.00 0.00 O ATOM 278 CB ASP A 21 -2.391 16.371 -0.136 1.00 0.00 C ATOM 279 CG ASP A 21 -1.592 15.421 0.735 1.00 0.00 C ATOM 280 OD1 ASP A 21 -2.125 14.979 1.775 1.00 0.00 O ATOM 281 OD2 ASP A 21 -0.434 15.120 0.378 1.00 0.00 O ATOM 0 H ASP A 21 -3.591 14.899 -1.714 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.131 15.720 0.945 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.073 16.263 -1.173 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.175 17.398 0.158 1.00 0.00 H new ATOM 286 N HIS A 22 -4.497 18.054 -1.382 1.00 0.00 N ATOM 287 CA HIS A 22 -5.164 19.317 -1.674 1.00 0.00 C ATOM 288 C HIS A 22 -6.566 19.077 -2.226 1.00 0.00 C ATOM 289 O HIS A 22 -7.214 19.997 -2.725 1.00 0.00 O ATOM 290 CB HIS A 22 -4.344 20.132 -2.674 1.00 0.00 C ATOM 291 CG HIS A 22 -2.870 20.097 -2.409 1.00 0.00 C ATOM 292 ND1 HIS A 22 -2.264 20.846 -1.423 1.00 0.00 N ATOM 293 CD2 HIS A 22 -1.880 19.394 -3.007 1.00 0.00 C ATOM 294 CE1 HIS A 22 -0.965 20.608 -1.427 1.00 0.00 C ATOM 295 NE2 HIS A 22 -0.706 19.729 -2.379 1.00 0.00 N ATOM 0 H HIS A 22 -3.915 17.699 -2.141 1.00 0.00 H new ATOM 0 HA HIS A 22 -5.250 19.877 -0.743 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -4.533 19.755 -3.679 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.684 21.167 -2.652 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -1.993 18.699 -3.826 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.238 21.055 -0.765 1.00 0.00 H new ATOM 0 HE2 HIS A 22 0.216 19.359 -2.610 1.00 0.00 H new ATOM 304 N ARG A 23 -7.028 17.834 -2.132 1.00 0.00 N ATOM 305 CA ARG A 23 -8.352 17.472 -2.624 1.00 0.00 C ATOM 306 C ARG A 23 -9.442 18.158 -1.805 1.00 0.00 C ATOM 307 O ARG A 23 -10.251 18.928 -2.324 1.00 0.00 O ATOM 308 CB ARG A 23 -8.541 15.955 -2.574 1.00 0.00 C ATOM 309 CG ARG A 23 -9.971 15.528 -2.288 1.00 0.00 C ATOM 310 CD ARG A 23 -10.095 14.015 -2.206 1.00 0.00 C ATOM 311 NE ARG A 23 -9.823 13.516 -0.860 1.00 0.00 N ATOM 312 CZ ARG A 23 -10.704 13.559 0.132 1.00 0.00 C ATOM 313 NH1 ARG A 23 -11.909 14.074 -0.069 1.00 0.00 N ATOM 314 NH2 ARG A 23 -10.382 13.085 1.329 1.00 0.00 N ATOM 0 H ARG A 23 -6.505 17.061 -1.720 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.432 17.807 -3.658 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.227 15.527 -3.526 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.887 15.541 -1.807 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.304 15.973 -1.350 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.628 15.906 -3.071 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -11.099 13.717 -2.507 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.401 13.556 -2.910 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.905 13.112 -0.672 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.161 14.438 -0.988 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.584 14.106 0.695 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.456 12.687 1.488 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.060 13.119 2.090 1.00 0.00 H new ATOM 328 N PRO A 24 -9.466 17.873 -0.495 1.00 0.00 N ATOM 329 CA PRO A 24 -10.452 18.451 0.423 1.00 0.00 C ATOM 330 C PRO A 24 -10.226 19.942 0.652 1.00 0.00 C ATOM 331 O PRO A 24 -11.172 20.728 0.656 1.00 0.00 O ATOM 332 CB PRO A 24 -10.229 17.671 1.721 1.00 0.00 C ATOM 333 CG PRO A 24 -8.813 17.211 1.648 1.00 0.00 C ATOM 334 CD PRO A 24 -8.533 16.963 0.191 1.00 0.00 C ATOM 0 HA PRO A 24 -11.467 18.374 0.033 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.396 18.301 2.595 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.916 16.828 1.799 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.137 17.964 2.053 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.667 16.303 2.234 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.496 17.184 -0.062 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.713 15.923 -0.081 1.00 0.00 H new ATOM 342 N GLN A 25 -8.967 20.322 0.842 1.00 0.00 N ATOM 343 CA GLN A 25 -8.618 21.719 1.072 1.00 0.00 C ATOM 344 C GLN A 25 -9.264 22.621 0.025 1.00 0.00 C ATOM 345 O GLN A 25 -9.861 23.646 0.357 1.00 0.00 O ATOM 346 CB GLN A 25 -7.099 21.898 1.047 1.00 0.00 C ATOM 347 CG GLN A 25 -6.442 21.713 2.406 1.00 0.00 C ATOM 348 CD GLN A 25 -6.356 23.005 3.193 1.00 0.00 C ATOM 349 OE1 GLN A 25 -5.295 23.623 3.280 1.00 0.00 O ATOM 350 NE2 GLN A 25 -7.476 23.422 3.773 1.00 0.00 N ATOM 0 H GLN A 25 -8.172 19.683 0.841 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.995 22.004 2.054 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.669 21.184 0.345 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.865 22.894 0.672 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -7.006 20.979 2.981 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.439 21.308 2.269 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -8.334 22.879 3.675 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -7.478 24.285 4.316 1.00 0.00 H new ATOM 359 N PHE A 26 -9.142 22.233 -1.240 1.00 0.00 N ATOM 360 CA PHE A 26 -9.714 23.008 -2.335 1.00 0.00 C ATOM 361 C PHE A 26 -11.189 23.302 -2.081 1.00 0.00 C ATOM 362 O PHE A 26 -11.672 24.400 -2.361 1.00 0.00 O ATOM 363 CB PHE A 26 -9.552 22.256 -3.658 1.00 0.00 C ATOM 364 CG PHE A 26 -9.870 23.091 -4.865 1.00 0.00 C ATOM 365 CD1 PHE A 26 -11.184 23.311 -5.246 1.00 0.00 C ATOM 366 CD2 PHE A 26 -8.854 23.657 -5.619 1.00 0.00 C ATOM 367 CE1 PHE A 26 -11.479 24.078 -6.357 1.00 0.00 C ATOM 368 CE2 PHE A 26 -9.143 24.427 -6.731 1.00 0.00 C ATOM 369 CZ PHE A 26 -10.457 24.638 -7.099 1.00 0.00 C ATOM 0 H PHE A 26 -8.653 21.387 -1.532 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.179 23.956 -2.395 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.527 21.893 -3.737 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -10.201 21.380 -3.651 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -11.987 22.878 -4.668 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -7.825 23.495 -5.335 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -12.507 24.239 -6.645 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -8.342 24.862 -7.310 1.00 0.00 H new ATOM 0 HZ PHE A 26 -10.686 25.240 -7.966 1.00 0.00 H new ATOM 379 N LEU A 27 -11.900 22.313 -1.551 1.00 0.00 N ATOM 380 CA LEU A 27 -13.322 22.464 -1.259 1.00 0.00 C ATOM 381 C LEU A 27 -13.533 23.273 0.017 1.00 0.00 C ATOM 382 O LEU A 27 -14.194 24.311 0.003 1.00 0.00 O ATOM 383 CB LEU A 27 -13.983 21.092 -1.122 1.00 0.00 C ATOM 384 CG LEU A 27 -14.313 20.372 -2.431 1.00 0.00 C ATOM 385 CD1 LEU A 27 -13.051 19.802 -3.059 1.00 0.00 C ATOM 386 CD2 LEU A 27 -15.336 19.272 -2.191 1.00 0.00 C ATOM 0 H LEU A 27 -11.516 21.398 -1.315 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.783 23.001 -2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.326 20.451 -0.534 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.905 21.210 -0.553 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.743 21.096 -3.123 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.305 19.294 -3.989 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.351 20.611 -3.267 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.591 19.092 -2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.559 18.771 -3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.933 18.549 -1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.250 19.707 -1.786 1.00 0.00 H new ATOM 398 N ILE A 28 -12.965 22.790 1.117 1.00 0.00 N ATOM 399 CA ILE A 28 -13.089 23.470 2.401 1.00 0.00 C ATOM 400 C ILE A 28 -13.127 24.983 2.220 1.00 0.00 C ATOM 401 O ILE A 28 -14.006 25.659 2.753 1.00 0.00 O ATOM 402 CB ILE A 28 -11.927 23.106 3.345 1.00 0.00 C ATOM 403 CG1 ILE A 28 -12.002 21.628 3.735 1.00 0.00 C ATOM 404 CG2 ILE A 28 -11.955 23.988 4.584 1.00 0.00 C ATOM 405 CD1 ILE A 28 -10.676 21.053 4.182 1.00 0.00 C ATOM 0 H ILE A 28 -12.415 21.931 1.145 1.00 0.00 H new ATOM 0 HA ILE A 28 -14.026 23.136 2.846 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.986 23.277 2.822 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -12.730 21.509 4.538 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.369 21.054 2.884 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.128 23.719 5.241 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.859 25.033 4.289 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -12.898 23.845 5.111 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -10.804 20.002 4.443 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -9.950 21.140 3.373 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -10.316 21.602 5.052 1.00 0.00 H new ATOM 417 N GLU A 29 -12.168 25.508 1.463 1.00 0.00 N ATOM 418 CA GLU A 29 -12.093 26.942 1.212 1.00 0.00 C ATOM 419 C GLU A 29 -13.109 27.362 0.153 1.00 0.00 C ATOM 420 O GLU A 29 -13.745 28.409 0.270 1.00 0.00 O ATOM 421 CB GLU A 29 -10.683 27.331 0.763 1.00 0.00 C ATOM 422 CG GLU A 29 -9.709 27.523 1.914 1.00 0.00 C ATOM 423 CD GLU A 29 -8.509 28.366 1.529 1.00 0.00 C ATOM 424 OE1 GLU A 29 -7.722 27.920 0.668 1.00 0.00 O ATOM 425 OE2 GLU A 29 -8.357 29.472 2.088 1.00 0.00 O ATOM 0 H GLU A 29 -11.433 24.962 1.014 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.326 27.460 2.142 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.297 26.560 0.096 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.736 28.254 0.185 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.227 27.995 2.748 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.367 26.548 2.262 1.00 0.00 H new ATOM 432 N ASN A 30 -13.254 26.538 -0.879 1.00 0.00 N ATOM 433 CA ASN A 30 -14.191 26.824 -1.960 1.00 0.00 C ATOM 434 C ASN A 30 -15.239 25.721 -2.077 1.00 0.00 C ATOM 435 O ASN A 30 -15.144 24.828 -2.919 1.00 0.00 O ATOM 436 CB ASN A 30 -13.443 26.975 -3.285 1.00 0.00 C ATOM 437 CG ASN A 30 -12.157 27.765 -3.136 1.00 0.00 C ATOM 438 OD1 ASN A 30 -12.116 28.965 -3.410 1.00 0.00 O ATOM 439 ND2 ASN A 30 -11.097 27.093 -2.701 1.00 0.00 N ATOM 0 H ASN A 30 -12.735 25.667 -0.990 1.00 0.00 H new ATOM 0 HA ASN A 30 -14.699 27.760 -1.729 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.215 25.987 -3.685 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -14.089 27.471 -4.009 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.204 27.571 -2.582 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.176 26.099 -2.486 1.00 0.00 H new ATOM 446 N PRO A 31 -16.263 25.784 -1.213 1.00 0.00 N ATOM 447 CA PRO A 31 -17.349 24.800 -1.201 1.00 0.00 C ATOM 448 C PRO A 31 -18.249 24.913 -2.427 1.00 0.00 C ATOM 449 O PRO A 31 -19.183 24.130 -2.599 1.00 0.00 O ATOM 450 CB PRO A 31 -18.130 25.149 0.069 1.00 0.00 C ATOM 451 CG PRO A 31 -17.845 26.592 0.304 1.00 0.00 C ATOM 452 CD PRO A 31 -16.441 26.821 -0.183 1.00 0.00 C ATOM 0 HA PRO A 31 -16.972 23.778 -1.219 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -19.198 24.972 -0.062 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -17.807 24.539 0.913 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.553 27.222 -0.235 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.937 26.841 1.361 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.317 27.822 -0.596 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -15.714 26.716 0.623 1.00 0.00 H new ATOM 460 N LYS A 32 -17.961 25.892 -3.278 1.00 0.00 N ATOM 461 CA LYS A 32 -18.742 26.107 -4.490 1.00 0.00 C ATOM 462 C LYS A 32 -18.121 25.374 -5.675 1.00 0.00 C ATOM 463 O LYS A 32 -18.319 25.757 -6.829 1.00 0.00 O ATOM 464 CB LYS A 32 -18.842 27.603 -4.798 1.00 0.00 C ATOM 465 CG LYS A 32 -20.117 27.990 -5.527 1.00 0.00 C ATOM 466 CD LYS A 32 -21.331 27.890 -4.618 1.00 0.00 C ATOM 467 CE LYS A 32 -22.600 27.617 -5.411 1.00 0.00 C ATOM 468 NZ LYS A 32 -22.942 28.748 -6.317 1.00 0.00 N ATOM 0 H LYS A 32 -17.192 26.550 -3.150 1.00 0.00 H new ATOM 0 HA LYS A 32 -19.743 25.709 -4.323 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -18.783 28.162 -3.864 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -17.984 27.899 -5.402 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -20.027 29.009 -5.904 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -20.254 27.341 -6.392 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -21.177 27.093 -3.890 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -21.444 28.817 -4.057 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -22.473 26.707 -5.998 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -23.427 27.440 -4.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -23.831 28.538 -6.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -23.055 29.618 -5.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -22.179 28.879 -7.012 1.00 0.00 H new ATOM 482 N THR A 33 -17.369 24.317 -5.383 1.00 0.00 N ATOM 483 CA THR A 33 -16.720 23.530 -6.424 1.00 0.00 C ATOM 484 C THR A 33 -17.085 22.055 -6.307 1.00 0.00 C ATOM 485 O THR A 33 -16.864 21.431 -5.269 1.00 0.00 O ATOM 486 CB THR A 33 -15.187 23.674 -6.363 1.00 0.00 C ATOM 487 OG1 THR A 33 -14.823 25.058 -6.401 1.00 0.00 O ATOM 488 CG2 THR A 33 -14.528 22.939 -7.521 1.00 0.00 C ATOM 0 H THR A 33 -17.195 23.986 -4.434 1.00 0.00 H new ATOM 0 HA THR A 33 -17.077 23.915 -7.379 1.00 0.00 H new ATOM 0 HB THR A 33 -14.840 23.233 -5.429 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.083 25.219 -5.779 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.446 23.055 -7.457 1.00 0.00 H new ATOM 0 HG22 THR A 33 -14.783 21.880 -7.472 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.882 23.355 -8.464 1.00 0.00 H new ATOM 496 N SER A 34 -17.646 21.503 -7.378 1.00 0.00 N ATOM 497 CA SER A 34 -18.045 20.100 -7.394 1.00 0.00 C ATOM 498 C SER A 34 -16.825 19.187 -7.320 1.00 0.00 C ATOM 499 O SER A 34 -15.695 19.621 -7.550 1.00 0.00 O ATOM 500 CB SER A 34 -18.851 19.792 -8.657 1.00 0.00 C ATOM 501 OG SER A 34 -19.598 18.597 -8.507 1.00 0.00 O ATOM 0 H SER A 34 -17.835 22.005 -8.246 1.00 0.00 H new ATOM 0 HA SER A 34 -18.669 19.915 -6.519 1.00 0.00 H new ATOM 0 HB2 SER A 34 -19.525 20.621 -8.873 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.177 19.699 -9.509 1.00 0.00 H new ATOM 0 HG SER A 34 -20.106 18.423 -9.327 1.00 0.00 H new ATOM 507 N LEU A 35 -17.061 17.920 -6.998 1.00 0.00 N ATOM 508 CA LEU A 35 -15.983 16.943 -6.894 1.00 0.00 C ATOM 509 C LEU A 35 -15.063 17.015 -8.109 1.00 0.00 C ATOM 510 O LEU A 35 -13.879 17.327 -7.985 1.00 0.00 O ATOM 511 CB LEU A 35 -16.557 15.532 -6.757 1.00 0.00 C ATOM 512 CG LEU A 35 -15.699 14.530 -5.985 1.00 0.00 C ATOM 513 CD1 LEU A 35 -14.563 14.017 -6.856 1.00 0.00 C ATOM 514 CD2 LEU A 35 -15.154 15.163 -4.713 1.00 0.00 C ATOM 0 H LEU A 35 -17.990 17.545 -6.804 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.398 17.178 -6.005 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -17.528 15.602 -6.266 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -16.733 15.135 -7.757 1.00 0.00 H new ATOM 0 HG LEU A 35 -16.326 13.683 -5.706 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.963 13.305 -6.289 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.974 13.525 -7.737 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.936 14.853 -7.166 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.546 14.435 -4.176 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -14.543 16.028 -4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -15.983 15.480 -4.080 1.00 0.00 H new ATOM 526 N GLU A 36 -15.618 16.726 -9.282 1.00 0.00 N ATOM 527 CA GLU A 36 -14.847 16.760 -10.519 1.00 0.00 C ATOM 528 C GLU A 36 -14.068 18.067 -10.640 1.00 0.00 C ATOM 529 O GLU A 36 -12.840 18.081 -10.553 1.00 0.00 O ATOM 530 CB GLU A 36 -15.771 16.591 -11.727 1.00 0.00 C ATOM 531 CG GLU A 36 -16.413 15.217 -11.815 1.00 0.00 C ATOM 532 CD GLU A 36 -17.644 15.203 -12.699 1.00 0.00 C ATOM 533 OE1 GLU A 36 -18.662 15.813 -12.310 1.00 0.00 O ATOM 534 OE2 GLU A 36 -17.590 14.582 -13.782 1.00 0.00 O ATOM 0 H GLU A 36 -16.597 16.466 -9.401 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.136 15.934 -10.496 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -16.555 17.347 -11.682 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -15.202 16.776 -12.638 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -15.685 14.504 -12.202 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -16.686 14.883 -10.814 1.00 0.00 H new ATOM 541 N ASP A 37 -14.791 19.163 -10.842 1.00 0.00 N ATOM 542 CA ASP A 37 -14.170 20.475 -10.974 1.00 0.00 C ATOM 543 C ASP A 37 -12.951 20.594 -10.064 1.00 0.00 C ATOM 544 O ASP A 37 -11.836 20.824 -10.531 1.00 0.00 O ATOM 545 CB ASP A 37 -15.178 21.577 -10.642 1.00 0.00 C ATOM 546 CG ASP A 37 -16.247 21.723 -11.707 1.00 0.00 C ATOM 547 OD1 ASP A 37 -15.893 22.037 -12.863 1.00 0.00 O ATOM 548 OD2 ASP A 37 -17.437 21.525 -11.385 1.00 0.00 O ATOM 0 H ASP A 37 -15.808 19.168 -10.918 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.843 20.591 -12.007 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -15.650 21.357 -9.685 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -14.652 22.525 -10.527 1.00 0.00 H new ATOM 553 N ALA A 38 -13.172 20.435 -8.763 1.00 0.00 N ATOM 554 CA ALA A 38 -12.092 20.523 -7.788 1.00 0.00 C ATOM 555 C ALA A 38 -10.846 19.797 -8.283 1.00 0.00 C ATOM 556 O ALA A 38 -9.773 20.390 -8.397 1.00 0.00 O ATOM 557 CB ALA A 38 -12.541 19.955 -6.451 1.00 0.00 C ATOM 0 H ALA A 38 -14.089 20.245 -8.360 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.839 21.575 -7.656 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.725 20.027 -5.732 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.398 20.521 -6.085 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.823 18.910 -6.576 1.00 0.00 H new ATOM 563 N THR A 39 -10.994 18.508 -8.574 1.00 0.00 N ATOM 564 CA THR A 39 -9.880 17.700 -9.054 1.00 0.00 C ATOM 565 C THR A 39 -9.366 18.213 -10.394 1.00 0.00 C ATOM 566 O THR A 39 -8.199 18.589 -10.520 1.00 0.00 O ATOM 567 CB THR A 39 -10.283 16.221 -9.205 1.00 0.00 C ATOM 568 OG1 THR A 39 -10.895 15.754 -7.997 1.00 0.00 O ATOM 569 CG2 THR A 39 -9.072 15.360 -9.531 1.00 0.00 C ATOM 0 H THR A 39 -11.875 18.001 -8.485 1.00 0.00 H new ATOM 0 HA THR A 39 -9.088 17.780 -8.309 1.00 0.00 H new ATOM 0 HB THR A 39 -10.995 16.144 -10.026 1.00 0.00 H new ATOM 0 HG1 THR A 39 -11.150 14.814 -8.102 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.382 14.320 -9.633 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.626 15.699 -10.466 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.340 15.443 -8.728 1.00 0.00 H new ATOM 577 N LEU A 40 -10.242 18.228 -11.392 1.00 0.00 N ATOM 578 CA LEU A 40 -9.876 18.697 -12.724 1.00 0.00 C ATOM 579 C LEU A 40 -8.867 19.838 -12.642 1.00 0.00 C ATOM 580 O LEU A 40 -7.938 19.916 -13.446 1.00 0.00 O ATOM 581 CB LEU A 40 -11.121 19.157 -13.485 1.00 0.00 C ATOM 582 CG LEU A 40 -11.977 18.050 -14.103 1.00 0.00 C ATOM 583 CD1 LEU A 40 -13.389 18.550 -14.365 1.00 0.00 C ATOM 584 CD2 LEU A 40 -11.342 17.540 -15.389 1.00 0.00 C ATOM 0 H LEU A 40 -11.211 17.921 -11.304 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.416 17.867 -13.260 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.746 19.735 -12.804 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.807 19.833 -14.280 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.033 17.222 -13.396 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.983 17.749 -14.805 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.843 18.865 -13.426 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.354 19.395 -15.053 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.964 16.753 -15.815 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.255 18.360 -16.102 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.351 17.141 -15.172 1.00 0.00 H new ATOM 596 N GLN A 41 -9.055 20.718 -11.664 1.00 0.00 N ATOM 597 CA GLN A 41 -8.160 21.854 -11.476 1.00 0.00 C ATOM 598 C GLN A 41 -6.897 21.434 -10.732 1.00 0.00 C ATOM 599 O GLN A 41 -5.789 21.821 -11.104 1.00 0.00 O ATOM 600 CB GLN A 41 -8.872 22.970 -10.709 1.00 0.00 C ATOM 601 CG GLN A 41 -9.887 23.731 -11.545 1.00 0.00 C ATOM 602 CD GLN A 41 -10.601 24.811 -10.755 1.00 0.00 C ATOM 603 OE1 GLN A 41 -9.967 25.697 -10.180 1.00 0.00 O ATOM 604 NE2 GLN A 41 -11.927 24.744 -10.723 1.00 0.00 N ATOM 0 H GLN A 41 -9.819 20.666 -10.990 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.873 22.226 -12.460 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.376 22.540 -9.843 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.128 23.670 -10.329 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.383 24.184 -12.399 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.622 23.031 -11.943 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.412 23.993 -11.214 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.461 25.444 -10.208 1.00 0.00 H new ATOM 613 N ILE A 42 -7.072 20.641 -9.680 1.00 0.00 N ATOM 614 CA ILE A 42 -5.945 20.168 -8.885 1.00 0.00 C ATOM 615 C ILE A 42 -4.967 19.369 -9.738 1.00 0.00 C ATOM 616 O ILE A 42 -3.774 19.666 -9.774 1.00 0.00 O ATOM 617 CB ILE A 42 -6.415 19.295 -7.707 1.00 0.00 C ATOM 618 CG1 ILE A 42 -7.252 20.123 -6.731 1.00 0.00 C ATOM 619 CG2 ILE A 42 -5.221 18.676 -6.997 1.00 0.00 C ATOM 620 CD1 ILE A 42 -8.155 19.289 -5.850 1.00 0.00 C ATOM 0 H ILE A 42 -7.983 20.313 -9.359 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.442 21.052 -8.493 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.038 18.490 -8.097 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.585 20.710 -6.100 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.861 20.829 -7.296 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.570 18.062 -6.167 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.662 18.056 -7.698 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.574 19.466 -6.617 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.718 19.943 -5.184 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.847 18.722 -6.472 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.551 18.601 -5.258 1.00 0.00 H new ATOM 632 N GLU A 43 -5.482 18.354 -10.425 1.00 0.00 N ATOM 633 CA GLU A 43 -4.653 17.512 -11.280 1.00 0.00 C ATOM 634 C GLU A 43 -3.694 18.358 -12.112 1.00 0.00 C ATOM 635 O GLU A 43 -2.477 18.191 -12.036 1.00 0.00 O ATOM 636 CB GLU A 43 -5.530 16.661 -12.201 1.00 0.00 C ATOM 637 CG GLU A 43 -5.968 15.345 -11.579 1.00 0.00 C ATOM 638 CD GLU A 43 -4.836 14.341 -11.482 1.00 0.00 C ATOM 639 OE1 GLU A 43 -4.155 14.114 -12.505 1.00 0.00 O ATOM 640 OE2 GLU A 43 -4.631 13.781 -10.385 1.00 0.00 O ATOM 0 H GLU A 43 -6.468 18.095 -10.406 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.067 16.854 -10.639 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.415 17.234 -12.478 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.983 16.454 -13.121 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.368 15.534 -10.583 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.777 14.919 -12.172 1.00 0.00 H new ATOM 647 N GLU A 44 -4.253 19.266 -12.906 1.00 0.00 N ATOM 648 CA GLU A 44 -3.447 20.138 -13.754 1.00 0.00 C ATOM 649 C GLU A 44 -2.468 20.956 -12.918 1.00 0.00 C ATOM 650 O GLU A 44 -1.335 21.205 -13.334 1.00 0.00 O ATOM 651 CB GLU A 44 -4.348 21.072 -14.565 1.00 0.00 C ATOM 652 CG GLU A 44 -5.375 20.342 -15.414 1.00 0.00 C ATOM 653 CD GLU A 44 -6.216 21.286 -16.252 1.00 0.00 C ATOM 654 OE1 GLU A 44 -6.443 22.431 -15.808 1.00 0.00 O ATOM 655 OE2 GLU A 44 -6.646 20.879 -17.351 1.00 0.00 O ATOM 0 H GLU A 44 -5.259 19.417 -12.980 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.876 19.511 -14.439 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.866 21.746 -13.883 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.727 21.690 -15.213 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.864 19.637 -16.070 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.028 19.758 -14.766 1.00 0.00 H new ATOM 662 N LEU A 45 -2.912 21.373 -11.737 1.00 0.00 N ATOM 663 CA LEU A 45 -2.076 22.164 -10.841 1.00 0.00 C ATOM 664 C LEU A 45 -0.844 21.376 -10.407 1.00 0.00 C ATOM 665 O LEU A 45 0.200 21.953 -10.106 1.00 0.00 O ATOM 666 CB LEU A 45 -2.878 22.597 -9.612 1.00 0.00 C ATOM 667 CG LEU A 45 -2.077 22.798 -8.325 1.00 0.00 C ATOM 668 CD1 LEU A 45 -1.209 24.042 -8.426 1.00 0.00 C ATOM 669 CD2 LEU A 45 -3.010 22.892 -7.126 1.00 0.00 C ATOM 0 H LEU A 45 -3.846 21.176 -11.378 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.745 23.051 -11.382 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.390 23.530 -9.847 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.649 21.849 -9.424 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.425 21.936 -8.186 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.646 24.169 -7.501 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.516 23.935 -9.261 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.841 24.915 -8.589 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.423 23.035 -6.219 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.687 23.736 -7.257 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.589 21.972 -7.043 1.00 0.00 H new ATOM 681 N TRP A 46 -0.974 20.054 -10.380 1.00 0.00 N ATOM 682 CA TRP A 46 0.129 19.186 -9.985 1.00 0.00 C ATOM 683 C TRP A 46 1.145 19.049 -11.114 1.00 0.00 C ATOM 684 O TRP A 46 2.319 18.767 -10.875 1.00 0.00 O ATOM 685 CB TRP A 46 -0.397 17.807 -9.585 1.00 0.00 C ATOM 686 CG TRP A 46 0.636 16.726 -9.680 1.00 0.00 C ATOM 687 CD1 TRP A 46 0.769 15.805 -10.680 1.00 0.00 C ATOM 688 CD2 TRP A 46 1.679 16.452 -8.739 1.00 0.00 C ATOM 689 NE1 TRP A 46 1.833 14.976 -10.417 1.00 0.00 N ATOM 690 CE2 TRP A 46 2.408 15.352 -9.232 1.00 0.00 C ATOM 691 CE3 TRP A 46 2.070 17.030 -7.528 1.00 0.00 C ATOM 692 CZ2 TRP A 46 3.503 14.821 -8.555 1.00 0.00 C ATOM 693 CZ3 TRP A 46 3.157 16.501 -6.857 1.00 0.00 C ATOM 694 CH2 TRP A 46 3.863 15.406 -7.372 1.00 0.00 C ATOM 0 H TRP A 46 -1.832 19.560 -10.627 1.00 0.00 H new ATOM 0 HA TRP A 46 0.626 19.639 -9.127 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.772 17.852 -8.563 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.242 17.549 -10.224 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.132 15.738 -11.549 1.00 0.00 H new ATOM 0 HE1 TRP A 46 2.144 14.205 -11.008 1.00 0.00 H new ATOM 0 HE3 TRP A 46 1.533 17.875 -7.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 4.049 13.977 -8.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 3.467 16.939 -5.920 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.708 15.016 -6.824 1.00 0.00 H new ATOM 705 N LYS A 47 0.685 19.249 -12.344 1.00 0.00 N ATOM 706 CA LYS A 47 1.554 19.149 -13.511 1.00 0.00 C ATOM 707 C LYS A 47 2.434 20.387 -13.642 1.00 0.00 C ATOM 708 O LYS A 47 3.601 20.295 -14.024 1.00 0.00 O ATOM 709 CB LYS A 47 0.718 18.968 -14.781 1.00 0.00 C ATOM 710 CG LYS A 47 0.194 17.554 -14.967 1.00 0.00 C ATOM 711 CD LYS A 47 -0.922 17.504 -15.998 1.00 0.00 C ATOM 712 CE LYS A 47 -1.723 16.216 -15.890 1.00 0.00 C ATOM 713 NZ LYS A 47 -0.996 15.059 -16.483 1.00 0.00 N ATOM 0 H LYS A 47 -0.285 19.481 -12.559 1.00 0.00 H new ATOM 0 HA LYS A 47 2.198 18.279 -13.380 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.125 19.658 -14.753 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.323 19.239 -15.646 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.009 16.901 -15.280 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.172 17.172 -14.014 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.585 18.358 -15.860 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.498 17.587 -16.999 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.940 16.010 -14.842 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.681 16.341 -16.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.575 14.200 -16.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.811 15.244 -17.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.093 14.924 -15.984 1.00 0.00 H new ATOM 727 N THR A 48 1.868 21.547 -13.323 1.00 0.00 N ATOM 728 CA THR A 48 2.601 22.804 -13.404 1.00 0.00 C ATOM 729 C THR A 48 3.793 22.807 -12.454 1.00 0.00 C ATOM 730 O THR A 48 4.842 23.377 -12.759 1.00 0.00 O ATOM 731 CB THR A 48 1.695 24.005 -13.078 1.00 0.00 C ATOM 732 OG1 THR A 48 1.155 23.867 -11.758 1.00 0.00 O ATOM 733 CG2 THR A 48 0.561 24.118 -14.086 1.00 0.00 C ATOM 0 H THR A 48 0.903 21.642 -13.006 1.00 0.00 H new ATOM 0 HA THR A 48 2.958 22.897 -14.430 1.00 0.00 H new ATOM 0 HB THR A 48 2.298 24.911 -13.131 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.967 22.922 -11.579 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.065 24.974 -13.835 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.975 24.252 -15.085 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.040 23.209 -14.061 1.00 0.00 H new ATOM 741 N LEU A 49 3.627 22.169 -11.301 1.00 0.00 N ATOM 742 CA LEU A 49 4.690 22.098 -10.305 1.00 0.00 C ATOM 743 C LEU A 49 6.027 21.761 -10.959 1.00 0.00 C ATOM 744 O LEU A 49 6.080 21.396 -12.133 1.00 0.00 O ATOM 745 CB LEU A 49 4.351 21.051 -9.242 1.00 0.00 C ATOM 746 CG LEU A 49 3.279 21.448 -8.227 1.00 0.00 C ATOM 747 CD1 LEU A 49 2.923 20.268 -7.337 1.00 0.00 C ATOM 748 CD2 LEU A 49 3.748 22.628 -7.389 1.00 0.00 C ATOM 0 H LEU A 49 2.766 21.693 -11.033 1.00 0.00 H new ATOM 0 HA LEU A 49 4.775 23.075 -9.830 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.026 20.142 -9.747 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.264 20.805 -8.699 1.00 0.00 H new ATOM 0 HG LEU A 49 2.384 21.748 -8.772 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.159 20.570 -6.621 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.543 19.451 -7.951 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.812 19.936 -6.800 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.972 22.896 -6.672 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.658 22.356 -6.854 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.951 23.479 -8.040 1.00 0.00 H new ATOM 760 N SER A 50 7.103 21.884 -10.189 1.00 0.00 N ATOM 761 CA SER A 50 8.441 21.594 -10.694 1.00 0.00 C ATOM 762 C SER A 50 8.842 20.157 -10.374 1.00 0.00 C ATOM 763 O SER A 50 8.049 19.385 -9.837 1.00 0.00 O ATOM 764 CB SER A 50 9.458 22.566 -10.091 1.00 0.00 C ATOM 765 OG SER A 50 9.373 23.839 -10.708 1.00 0.00 O ATOM 0 H SER A 50 7.075 22.182 -9.214 1.00 0.00 H new ATOM 0 HA SER A 50 8.429 21.717 -11.777 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.281 22.665 -9.020 1.00 0.00 H new ATOM 0 HB3 SER A 50 10.465 22.166 -10.212 1.00 0.00 H new ATOM 0 HG SER A 50 10.031 24.443 -10.305 1.00 0.00 H new ATOM 771 N GLU A 51 10.080 19.807 -10.710 1.00 0.00 N ATOM 772 CA GLU A 51 10.587 18.463 -10.459 1.00 0.00 C ATOM 773 C GLU A 51 10.771 18.220 -8.964 1.00 0.00 C ATOM 774 O GLU A 51 10.028 17.453 -8.353 1.00 0.00 O ATOM 775 CB GLU A 51 11.915 18.250 -11.189 1.00 0.00 C ATOM 776 CG GLU A 51 12.160 16.808 -11.600 1.00 0.00 C ATOM 777 CD GLU A 51 13.627 16.512 -11.842 1.00 0.00 C ATOM 778 OE1 GLU A 51 14.376 16.373 -10.853 1.00 0.00 O ATOM 779 OE2 GLU A 51 14.026 16.419 -13.022 1.00 0.00 O ATOM 0 H GLU A 51 10.749 20.435 -11.156 1.00 0.00 H new ATOM 0 HA GLU A 51 9.854 17.750 -10.837 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.936 18.881 -12.078 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.731 18.579 -10.545 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.782 16.143 -10.823 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.595 16.591 -12.507 1.00 0.00 H new ATOM 786 N GLU A 52 11.769 18.879 -8.382 1.00 0.00 N ATOM 787 CA GLU A 52 12.052 18.734 -6.959 1.00 0.00 C ATOM 788 C GLU A 52 10.759 18.703 -6.148 1.00 0.00 C ATOM 789 O GLU A 52 10.566 17.830 -5.303 1.00 0.00 O ATOM 790 CB GLU A 52 12.944 19.879 -6.475 1.00 0.00 C ATOM 791 CG GLU A 52 12.325 21.254 -6.661 1.00 0.00 C ATOM 792 CD GLU A 52 13.287 22.377 -6.327 1.00 0.00 C ATOM 793 OE1 GLU A 52 14.511 22.169 -6.465 1.00 0.00 O ATOM 794 OE2 GLU A 52 12.817 23.462 -5.927 1.00 0.00 O ATOM 0 H GLU A 52 12.394 19.518 -8.874 1.00 0.00 H new ATOM 0 HA GLU A 52 12.575 17.789 -6.812 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.169 19.731 -5.419 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.892 19.841 -7.011 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.991 21.361 -7.693 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.441 21.339 -6.030 1.00 0.00 H new ATOM 801 N GLU A 53 9.879 19.664 -6.411 1.00 0.00 N ATOM 802 CA GLU A 53 8.606 19.748 -5.705 1.00 0.00 C ATOM 803 C GLU A 53 7.844 18.429 -5.799 1.00 0.00 C ATOM 804 O GLU A 53 7.185 18.010 -4.847 1.00 0.00 O ATOM 805 CB GLU A 53 7.755 20.884 -6.275 1.00 0.00 C ATOM 806 CG GLU A 53 6.711 21.409 -5.303 1.00 0.00 C ATOM 807 CD GLU A 53 6.399 22.877 -5.519 1.00 0.00 C ATOM 808 OE1 GLU A 53 7.244 23.581 -6.112 1.00 0.00 O ATOM 809 OE2 GLU A 53 5.312 23.322 -5.096 1.00 0.00 O ATOM 0 H GLU A 53 10.024 20.395 -7.107 1.00 0.00 H new ATOM 0 HA GLU A 53 8.815 19.953 -4.655 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.409 21.704 -6.570 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.255 20.534 -7.178 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.795 20.827 -5.410 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.064 21.263 -4.282 1.00 0.00 H new ATOM 816 N LYS A 54 7.938 17.780 -6.955 1.00 0.00 N ATOM 817 CA LYS A 54 7.258 16.509 -7.176 1.00 0.00 C ATOM 818 C LYS A 54 8.019 15.363 -6.516 1.00 0.00 C ATOM 819 O LYS A 54 7.421 14.482 -5.899 1.00 0.00 O ATOM 820 CB LYS A 54 7.111 16.240 -8.675 1.00 0.00 C ATOM 821 CG LYS A 54 5.998 17.042 -9.330 1.00 0.00 C ATOM 822 CD LYS A 54 5.631 16.476 -10.692 1.00 0.00 C ATOM 823 CE LYS A 54 5.128 17.563 -11.629 1.00 0.00 C ATOM 824 NZ LYS A 54 6.248 18.301 -12.275 1.00 0.00 N ATOM 0 H LYS A 54 8.478 18.113 -7.753 1.00 0.00 H new ATOM 0 HA LYS A 54 6.268 16.572 -6.725 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.054 16.470 -9.171 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.921 15.178 -8.828 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.119 17.040 -8.685 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.312 18.080 -9.439 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.502 15.989 -11.132 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.863 15.711 -10.575 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.497 17.117 -12.397 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.505 18.263 -11.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.089 19.325 -12.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.144 18.046 -11.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.294 18.049 -13.283 1.00 0.00 H new ATOM 838 N LEU A 55 9.341 15.383 -6.650 1.00 0.00 N ATOM 839 CA LEU A 55 10.184 14.346 -6.065 1.00 0.00 C ATOM 840 C LEU A 55 9.700 13.974 -4.667 1.00 0.00 C ATOM 841 O LEU A 55 9.415 12.810 -4.386 1.00 0.00 O ATOM 842 CB LEU A 55 11.638 14.818 -6.004 1.00 0.00 C ATOM 843 CG LEU A 55 12.494 14.515 -7.235 1.00 0.00 C ATOM 844 CD1 LEU A 55 12.860 13.039 -7.280 1.00 0.00 C ATOM 845 CD2 LEU A 55 11.765 14.925 -8.506 1.00 0.00 C ATOM 0 H LEU A 55 9.852 16.105 -7.158 1.00 0.00 H new ATOM 0 HA LEU A 55 10.121 13.461 -6.699 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.643 15.895 -5.839 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.111 14.361 -5.135 1.00 0.00 H new ATOM 0 HG LEU A 55 13.414 15.095 -7.166 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.469 12.842 -8.162 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.423 12.776 -6.384 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.951 12.440 -7.326 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.389 14.702 -9.371 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.828 14.373 -8.582 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.555 15.994 -8.476 1.00 0.00 H new ATOM 857 N LYS A 56 9.606 14.971 -3.794 1.00 0.00 N ATOM 858 CA LYS A 56 9.153 14.751 -2.426 1.00 0.00 C ATOM 859 C LYS A 56 7.969 13.789 -2.393 1.00 0.00 C ATOM 860 O LYS A 56 7.842 12.978 -1.476 1.00 0.00 O ATOM 861 CB LYS A 56 8.761 16.080 -1.777 1.00 0.00 C ATOM 862 CG LYS A 56 9.947 16.887 -1.278 1.00 0.00 C ATOM 863 CD LYS A 56 9.600 18.359 -1.136 1.00 0.00 C ATOM 864 CE LYS A 56 9.822 19.113 -2.438 1.00 0.00 C ATOM 865 NZ LYS A 56 11.258 19.446 -2.648 1.00 0.00 N ATOM 0 H LYS A 56 9.838 15.941 -4.010 1.00 0.00 H new ATOM 0 HA LYS A 56 9.975 14.308 -1.864 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.204 16.677 -2.499 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.089 15.882 -0.942 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.276 16.495 -0.315 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.782 16.774 -1.970 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.559 18.460 -0.829 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.209 18.803 -0.349 1.00 0.00 H new ATOM 0 HE2 LYS A 56 9.463 18.510 -3.272 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.234 20.031 -2.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.379 20.479 -2.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.826 19.030 -1.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.573 19.062 -3.562 1.00 0.00 H new ATOM 879 N TYR A 57 7.108 13.884 -3.400 1.00 0.00 N ATOM 880 CA TYR A 57 5.935 13.022 -3.486 1.00 0.00 C ATOM 881 C TYR A 57 6.265 11.722 -4.213 1.00 0.00 C ATOM 882 O TYR A 57 5.787 10.651 -3.841 1.00 0.00 O ATOM 883 CB TYR A 57 4.796 13.746 -4.205 1.00 0.00 C ATOM 884 CG TYR A 57 3.964 14.621 -3.294 1.00 0.00 C ATOM 885 CD1 TYR A 57 3.192 14.068 -2.280 1.00 0.00 C ATOM 886 CD2 TYR A 57 3.952 16.002 -3.447 1.00 0.00 C ATOM 887 CE1 TYR A 57 2.431 14.863 -1.447 1.00 0.00 C ATOM 888 CE2 TYR A 57 3.195 16.806 -2.617 1.00 0.00 C ATOM 889 CZ TYR A 57 2.435 16.232 -1.618 1.00 0.00 C ATOM 890 OH TYR A 57 1.679 17.028 -0.789 1.00 0.00 O ATOM 0 H TYR A 57 7.200 14.549 -4.168 1.00 0.00 H new ATOM 0 HA TYR A 57 5.620 12.779 -2.471 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.213 14.360 -5.003 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.148 13.008 -4.677 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.187 12.997 -2.141 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.545 16.455 -4.228 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.835 14.416 -0.665 1.00 0.00 H new ATOM 0 HE2 TYR A 57 3.198 17.878 -2.749 1.00 0.00 H new ATOM 0 HH TYR A 57 0.973 16.490 -0.373 1.00 0.00 H new ATOM 900 N GLU A 58 7.088 11.826 -5.253 1.00 0.00 N ATOM 901 CA GLU A 58 7.482 10.659 -6.033 1.00 0.00 C ATOM 902 C GLU A 58 8.020 9.555 -5.127 1.00 0.00 C ATOM 903 O GLU A 58 8.052 8.386 -5.509 1.00 0.00 O ATOM 904 CB GLU A 58 8.541 11.045 -7.068 1.00 0.00 C ATOM 905 CG GLU A 58 8.054 12.062 -8.087 1.00 0.00 C ATOM 906 CD GLU A 58 8.809 11.981 -9.399 1.00 0.00 C ATOM 907 OE1 GLU A 58 9.944 12.498 -9.464 1.00 0.00 O ATOM 908 OE2 GLU A 58 8.264 11.401 -10.361 1.00 0.00 O ATOM 0 H GLU A 58 7.494 12.705 -5.574 1.00 0.00 H new ATOM 0 HA GLU A 58 6.599 10.283 -6.549 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.412 11.449 -6.551 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.869 10.147 -7.592 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.992 11.904 -8.273 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.159 13.065 -7.673 1.00 0.00 H new ATOM 915 N GLU A 59 8.441 9.937 -3.925 1.00 0.00 N ATOM 916 CA GLU A 59 8.979 8.979 -2.966 1.00 0.00 C ATOM 917 C GLU A 59 7.859 8.164 -2.325 1.00 0.00 C ATOM 918 O GLU A 59 8.055 7.010 -1.945 1.00 0.00 O ATOM 919 CB GLU A 59 9.780 9.705 -1.882 1.00 0.00 C ATOM 920 CG GLU A 59 8.921 10.265 -0.762 1.00 0.00 C ATOM 921 CD GLU A 59 9.592 11.408 -0.027 1.00 0.00 C ATOM 922 OE1 GLU A 59 10.276 12.218 -0.687 1.00 0.00 O ATOM 923 OE2 GLU A 59 9.434 11.493 1.209 1.00 0.00 O ATOM 0 H GLU A 59 8.420 10.901 -3.593 1.00 0.00 H new ATOM 0 HA GLU A 59 9.640 8.298 -3.502 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.510 9.015 -1.458 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.340 10.520 -2.341 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.973 10.610 -1.174 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.690 9.469 -0.054 1.00 0.00 H new ATOM 930 N LYS A 60 6.684 8.774 -2.208 1.00 0.00 N ATOM 931 CA LYS A 60 5.531 8.106 -1.615 1.00 0.00 C ATOM 932 C LYS A 60 5.082 6.929 -2.475 1.00 0.00 C ATOM 933 O LYS A 60 4.851 5.832 -1.969 1.00 0.00 O ATOM 934 CB LYS A 60 4.377 9.096 -1.442 1.00 0.00 C ATOM 935 CG LYS A 60 4.436 9.878 -0.141 1.00 0.00 C ATOM 936 CD LYS A 60 3.085 10.478 0.211 1.00 0.00 C ATOM 937 CE LYS A 60 2.247 9.515 1.039 1.00 0.00 C ATOM 938 NZ LYS A 60 2.365 8.114 0.549 1.00 0.00 N ATOM 0 H LYS A 60 6.505 9.730 -2.516 1.00 0.00 H new ATOM 0 HA LYS A 60 5.825 7.726 -0.637 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.382 9.796 -2.277 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.433 8.552 -1.487 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.764 9.221 0.665 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.177 10.673 -0.227 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.231 11.405 0.766 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.550 10.734 -0.703 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.563 9.563 2.081 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.202 9.824 1.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.668 7.516 1.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.187 8.088 -0.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.323 7.758 0.743 1.00 0.00 H new ATOM 952 N ALA A 61 4.960 7.166 -3.777 1.00 0.00 N ATOM 953 CA ALA A 61 4.542 6.125 -4.707 1.00 0.00 C ATOM 954 C ALA A 61 5.532 4.965 -4.714 1.00 0.00 C ATOM 955 O ALA A 61 5.158 3.813 -4.488 1.00 0.00 O ATOM 956 CB ALA A 61 4.388 6.698 -6.108 1.00 0.00 C ATOM 0 H ALA A 61 5.145 8.070 -4.211 1.00 0.00 H new ATOM 0 HA ALA A 61 3.577 5.743 -4.375 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.075 5.909 -6.792 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.637 7.488 -6.098 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.341 7.109 -6.440 1.00 0.00 H new ATOM 962 N THR A 62 6.798 5.275 -4.976 1.00 0.00 N ATOM 963 CA THR A 62 7.842 4.258 -5.014 1.00 0.00 C ATOM 964 C THR A 62 7.776 3.357 -3.787 1.00 0.00 C ATOM 965 O THR A 62 7.752 2.131 -3.904 1.00 0.00 O ATOM 966 CB THR A 62 9.242 4.894 -5.096 1.00 0.00 C ATOM 967 OG1 THR A 62 10.247 3.892 -4.906 1.00 0.00 O ATOM 968 CG2 THR A 62 9.403 5.985 -4.049 1.00 0.00 C ATOM 0 H THR A 62 7.125 6.222 -5.165 1.00 0.00 H new ATOM 0 HA THR A 62 7.670 3.661 -5.909 1.00 0.00 H new ATOM 0 HB THR A 62 9.357 5.341 -6.084 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.134 4.304 -4.961 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.400 6.419 -4.126 1.00 0.00 H new ATOM 0 HG22 THR A 62 8.655 6.761 -4.214 1.00 0.00 H new ATOM 0 HG23 THR A 62 9.270 5.558 -3.055 1.00 0.00 H new ATOM 976 N LYS A 63 7.747 3.970 -2.609 1.00 0.00 N ATOM 977 CA LYS A 63 7.683 3.223 -1.358 1.00 0.00 C ATOM 978 C LYS A 63 6.736 2.034 -1.483 1.00 0.00 C ATOM 979 O LYS A 63 6.949 0.991 -0.863 1.00 0.00 O ATOM 980 CB LYS A 63 7.225 4.136 -0.218 1.00 0.00 C ATOM 981 CG LYS A 63 8.354 4.926 0.420 1.00 0.00 C ATOM 982 CD LYS A 63 7.866 5.733 1.612 1.00 0.00 C ATOM 983 CE LYS A 63 7.914 4.917 2.895 1.00 0.00 C ATOM 984 NZ LYS A 63 6.700 4.070 3.059 1.00 0.00 N ATOM 0 H LYS A 63 7.767 4.983 -2.494 1.00 0.00 H new ATOM 0 HA LYS A 63 8.682 2.848 -1.136 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.477 4.831 -0.599 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.738 3.531 0.547 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.142 4.244 0.739 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.793 5.596 -0.319 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.481 6.626 1.724 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.845 6.069 1.432 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.801 4.283 2.890 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.007 5.588 3.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.472 3.982 4.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.900 4.509 2.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.879 3.126 2.662 1.00 0.00 H new ATOM 998 N ASP A 64 5.693 2.196 -2.289 1.00 0.00 N ATOM 999 CA ASP A 64 4.715 1.135 -2.497 1.00 0.00 C ATOM 1000 C ASP A 64 5.065 0.307 -3.729 1.00 0.00 C ATOM 1001 O ASP A 64 4.915 -0.916 -3.732 1.00 0.00 O ATOM 1002 CB ASP A 64 3.312 1.726 -2.646 1.00 0.00 C ATOM 1003 CG ASP A 64 2.229 0.773 -2.181 1.00 0.00 C ATOM 1004 OD1 ASP A 64 2.473 0.027 -1.210 1.00 0.00 O ATOM 1005 OD2 ASP A 64 1.138 0.771 -2.790 1.00 0.00 O ATOM 0 H ASP A 64 5.503 3.052 -2.809 1.00 0.00 H new ATOM 0 HA ASP A 64 4.734 0.482 -1.625 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.248 2.651 -2.073 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.139 1.985 -3.691 1.00 0.00 H new ATOM 1010 N LEU A 65 5.532 0.981 -4.775 1.00 0.00 N ATOM 1011 CA LEU A 65 5.904 0.308 -6.015 1.00 0.00 C ATOM 1012 C LEU A 65 6.737 -0.937 -5.730 1.00 0.00 C ATOM 1013 O LEU A 65 6.465 -2.013 -6.262 1.00 0.00 O ATOM 1014 CB LEU A 65 6.684 1.261 -6.922 1.00 0.00 C ATOM 1015 CG LEU A 65 6.658 0.938 -8.416 1.00 0.00 C ATOM 1016 CD1 LEU A 65 5.387 1.473 -9.057 1.00 0.00 C ATOM 1017 CD2 LEU A 65 7.888 1.509 -9.106 1.00 0.00 C ATOM 0 H LEU A 65 5.662 1.993 -4.789 1.00 0.00 H new ATOM 0 HA LEU A 65 4.989 0.002 -6.522 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.290 2.268 -6.782 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.723 1.276 -6.592 1.00 0.00 H new ATOM 0 HG LEU A 65 6.670 -0.146 -8.534 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.387 1.233 -10.120 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.519 1.015 -8.582 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.342 2.555 -8.929 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.853 1.270 -10.169 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.907 2.591 -8.978 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.786 1.076 -8.666 1.00 0.00 H new