USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=13 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 Set 1.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 15 SER OG : rot 180:sc= 0.00632 USER MOD Set 2.1: A 12 MET CE :methyl 161:sc= -0.0396 (180deg=-0.0888) USER MOD Set 2.2: A 20 GLN : amide:sc=-0.00412 X(o=-0.044,f=-0.11) USER MOD Single : A 22 HIS :FLIP no HD1:sc= -0.864 F(o=-2.3,f=-0.86) USER MOD Single : A 25 GLN : amide:sc= -4.55! C(o=-4.5!,f=-5.6!) USER MOD Single : A 30 ASN : amide:sc= -1.08! X(o=-1.1!,f=-1.1) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -170:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 73:sc= 0.04 USER MOD Single : A 41 GLN : amide:sc= 0.0179 X(o=0.018,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -2:sc= 0.195 USER MOD Single : A 50 SER OG : rot -143:sc= 1.22 USER MOD Single : A 54 LYS NZ :NH3+ -130:sc= -0.0117 (180deg=-0.728) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 166:sc=-0.00266 (180deg=-0.112) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 129 N PRO A 11 -0.523 0.551 -7.429 1.00 0.00 N ATOM 130 CA PRO A 11 -0.623 1.471 -6.292 1.00 0.00 C ATOM 131 C PRO A 11 -0.806 2.919 -6.733 1.00 0.00 C ATOM 132 O PRO A 11 -0.405 3.299 -7.832 1.00 0.00 O ATOM 133 CB PRO A 11 0.719 1.296 -5.576 1.00 0.00 C ATOM 134 CG PRO A 11 1.656 0.829 -6.635 1.00 0.00 C ATOM 135 CD PRO A 11 0.833 -0.004 -7.579 1.00 0.00 C ATOM 0 HA PRO A 11 -1.488 1.253 -5.666 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.057 2.233 -5.134 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.644 0.570 -4.766 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.110 1.673 -7.154 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.469 0.244 -6.206 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.190 0.080 -8.605 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.866 -1.061 -7.316 1.00 0.00 H new ATOM 143 N MET A 12 -1.415 3.724 -5.867 1.00 0.00 N ATOM 144 CA MET A 12 -1.649 5.131 -6.167 1.00 0.00 C ATOM 145 C MET A 12 -0.360 5.815 -6.610 1.00 0.00 C ATOM 146 O MET A 12 0.671 5.706 -5.946 1.00 0.00 O ATOM 147 CB MET A 12 -2.226 5.847 -4.944 1.00 0.00 C ATOM 148 CG MET A 12 -3.744 5.812 -4.879 1.00 0.00 C ATOM 149 SD MET A 12 -4.391 6.528 -3.356 1.00 0.00 S ATOM 150 CE MET A 12 -4.870 8.158 -3.925 1.00 0.00 C ATOM 0 H MET A 12 -1.755 3.425 -4.953 1.00 0.00 H new ATOM 0 HA MET A 12 -2.368 5.187 -6.984 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.821 5.390 -4.041 1.00 0.00 H new ATOM 0 HB3 MET A 12 -1.895 6.885 -4.951 1.00 0.00 H new ATOM 0 HG2 MET A 12 -4.153 6.353 -5.732 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.084 4.780 -4.963 1.00 0.00 H new ATOM 0 HE1 MET A 12 -5.577 8.596 -3.221 1.00 0.00 H new ATOM 0 HE2 MET A 12 -3.987 8.793 -3.995 1.00 0.00 H new ATOM 0 HE3 MET A 12 -5.338 8.078 -4.906 1.00 0.00 H new ATOM 160 N SER A 13 -0.425 6.520 -7.735 1.00 0.00 N ATOM 161 CA SER A 13 0.739 7.218 -8.268 1.00 0.00 C ATOM 162 C SER A 13 0.947 8.551 -7.555 1.00 0.00 C ATOM 163 O SER A 13 0.011 9.119 -6.992 1.00 0.00 O ATOM 164 CB SER A 13 0.576 7.452 -9.771 1.00 0.00 C ATOM 165 OG SER A 13 1.770 7.957 -10.342 1.00 0.00 O ATOM 0 H SER A 13 -1.271 6.623 -8.295 1.00 0.00 H new ATOM 0 HA SER A 13 1.616 6.593 -8.097 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.303 6.517 -10.260 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.240 8.154 -9.946 1.00 0.00 H new ATOM 0 HG SER A 13 1.640 8.096 -11.303 1.00 0.00 H new ATOM 171 N ALA A 14 2.181 9.043 -7.583 1.00 0.00 N ATOM 172 CA ALA A 14 2.513 10.309 -6.941 1.00 0.00 C ATOM 173 C ALA A 14 1.521 11.399 -7.332 1.00 0.00 C ATOM 174 O ALA A 14 1.181 12.263 -6.522 1.00 0.00 O ATOM 175 CB ALA A 14 3.930 10.729 -7.302 1.00 0.00 C ATOM 0 H ALA A 14 2.967 8.584 -8.043 1.00 0.00 H new ATOM 0 HA ALA A 14 2.452 10.168 -5.862 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.164 11.676 -6.815 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.632 9.966 -6.967 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.010 10.847 -8.383 1.00 0.00 H new ATOM 181 N SER A 15 1.059 11.354 -8.577 1.00 0.00 N ATOM 182 CA SER A 15 0.109 12.341 -9.077 1.00 0.00 C ATOM 183 C SER A 15 -1.198 12.284 -8.291 1.00 0.00 C ATOM 184 O SER A 15 -1.856 13.303 -8.084 1.00 0.00 O ATOM 185 CB SER A 15 -0.166 12.109 -10.564 1.00 0.00 C ATOM 186 OG SER A 15 -0.398 10.737 -10.831 1.00 0.00 O ATOM 0 H SER A 15 1.327 10.644 -9.259 1.00 0.00 H new ATOM 0 HA SER A 15 0.548 13.330 -8.947 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.032 12.694 -10.873 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.682 12.459 -11.153 1.00 0.00 H new ATOM 0 HG SER A 15 -0.573 10.615 -11.787 1.00 0.00 H new ATOM 192 N ALA A 16 -1.566 11.083 -7.856 1.00 0.00 N ATOM 193 CA ALA A 16 -2.793 10.892 -7.091 1.00 0.00 C ATOM 194 C ALA A 16 -2.653 11.453 -5.680 1.00 0.00 C ATOM 195 O ALA A 16 -3.470 12.264 -5.240 1.00 0.00 O ATOM 196 CB ALA A 16 -3.157 9.415 -7.040 1.00 0.00 C ATOM 0 H ALA A 16 -1.033 10.229 -8.020 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.594 11.436 -7.592 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.075 9.286 -6.466 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.307 9.042 -8.053 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.350 8.858 -6.564 1.00 0.00 H new ATOM 202 N LEU A 17 -1.615 11.018 -4.975 1.00 0.00 N ATOM 203 CA LEU A 17 -1.369 11.477 -3.612 1.00 0.00 C ATOM 204 C LEU A 17 -1.575 12.984 -3.500 1.00 0.00 C ATOM 205 O LEU A 17 -2.479 13.448 -2.805 1.00 0.00 O ATOM 206 CB LEU A 17 0.051 11.110 -3.178 1.00 0.00 C ATOM 207 CG LEU A 17 0.225 9.728 -2.549 1.00 0.00 C ATOM 208 CD1 LEU A 17 -0.291 8.646 -3.485 1.00 0.00 C ATOM 209 CD2 LEU A 17 1.686 9.481 -2.200 1.00 0.00 C ATOM 0 H LEU A 17 -0.930 10.348 -5.324 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.082 10.982 -2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.704 11.176 -4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.396 11.858 -2.464 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.359 9.693 -1.629 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.159 7.669 -3.020 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.350 8.812 -3.685 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.265 8.680 -4.422 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.791 8.492 -1.753 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.291 9.536 -3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.024 10.237 -1.491 1.00 0.00 H new ATOM 221 N PHE A 18 -0.731 13.744 -4.190 1.00 0.00 N ATOM 222 CA PHE A 18 -0.821 15.199 -4.169 1.00 0.00 C ATOM 223 C PHE A 18 -2.275 15.656 -4.239 1.00 0.00 C ATOM 224 O PHE A 18 -2.679 16.589 -3.545 1.00 0.00 O ATOM 225 CB PHE A 18 -0.031 15.797 -5.335 1.00 0.00 C ATOM 226 CG PHE A 18 -0.090 17.297 -5.394 1.00 0.00 C ATOM 227 CD1 PHE A 18 -1.190 17.939 -5.939 1.00 0.00 C ATOM 228 CD2 PHE A 18 0.954 18.064 -4.903 1.00 0.00 C ATOM 229 CE1 PHE A 18 -1.249 19.319 -5.994 1.00 0.00 C ATOM 230 CE2 PHE A 18 0.901 19.444 -4.955 1.00 0.00 C ATOM 231 CZ PHE A 18 -0.201 20.072 -5.502 1.00 0.00 C ATOM 0 H PHE A 18 0.023 13.376 -4.770 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.393 15.550 -3.230 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.010 15.485 -5.255 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.415 15.389 -6.270 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.012 17.354 -6.326 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.818 17.578 -4.475 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.113 19.807 -6.421 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.721 20.031 -4.568 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.243 21.150 -5.545 1.00 0.00 H new ATOM 241 N VAL A 19 -3.058 14.990 -5.082 1.00 0.00 N ATOM 242 CA VAL A 19 -4.468 15.326 -5.242 1.00 0.00 C ATOM 243 C VAL A 19 -5.255 15.018 -3.973 1.00 0.00 C ATOM 244 O VAL A 19 -5.793 15.919 -3.331 1.00 0.00 O ATOM 245 CB VAL A 19 -5.097 14.560 -6.422 1.00 0.00 C ATOM 246 CG1 VAL A 19 -6.579 14.881 -6.538 1.00 0.00 C ATOM 247 CG2 VAL A 19 -4.368 14.885 -7.717 1.00 0.00 C ATOM 0 H VAL A 19 -2.740 14.215 -5.664 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.517 16.396 -5.445 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.996 13.491 -6.234 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.006 14.331 -7.377 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.087 14.592 -5.618 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.708 15.951 -6.703 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.825 14.335 -8.540 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.435 15.955 -7.914 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.320 14.598 -7.627 1.00 0.00 H new ATOM 257 N GLN A 20 -5.316 13.738 -3.618 1.00 0.00 N ATOM 258 CA GLN A 20 -6.037 13.311 -2.425 1.00 0.00 C ATOM 259 C GLN A 20 -5.656 14.169 -1.222 1.00 0.00 C ATOM 260 O GLN A 20 -6.391 14.234 -0.236 1.00 0.00 O ATOM 261 CB GLN A 20 -5.748 11.839 -2.128 1.00 0.00 C ATOM 262 CG GLN A 20 -6.265 11.378 -0.774 1.00 0.00 C ATOM 263 CD GLN A 20 -6.411 9.872 -0.687 1.00 0.00 C ATOM 264 OE1 GLN A 20 -7.522 9.342 -0.700 1.00 0.00 O ATOM 265 NE2 GLN A 20 -5.285 9.172 -0.599 1.00 0.00 N ATOM 0 H GLN A 20 -4.875 12.980 -4.139 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.104 13.434 -2.613 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -6.198 11.225 -2.908 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.672 11.673 -2.172 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.584 11.719 0.006 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.231 11.845 -0.580 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.385 9.652 -0.592 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.320 8.154 -0.539 1.00 0.00 H new ATOM 274 N ASP A 21 -4.504 14.824 -1.310 1.00 0.00 N ATOM 275 CA ASP A 21 -4.026 15.679 -0.230 1.00 0.00 C ATOM 276 C ASP A 21 -4.746 17.024 -0.242 1.00 0.00 C ATOM 277 O ASP A 21 -5.331 17.436 0.760 1.00 0.00 O ATOM 278 CB ASP A 21 -2.517 15.893 -0.350 1.00 0.00 C ATOM 279 CG ASP A 21 -1.721 14.727 0.203 1.00 0.00 C ATOM 280 OD1 ASP A 21 -1.722 13.652 -0.434 1.00 0.00 O ATOM 281 OD2 ASP A 21 -1.096 14.889 1.272 1.00 0.00 O ATOM 0 H ASP A 21 -3.884 14.779 -2.118 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.240 15.181 0.716 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.256 16.043 -1.398 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.239 16.803 0.181 1.00 0.00 H new ATOM 286 N HIS A 22 -4.696 17.705 -1.382 1.00 0.00 N ATOM 287 CA HIS A 22 -5.343 19.005 -1.525 1.00 0.00 C ATOM 288 C HIS A 22 -6.702 18.864 -2.204 1.00 0.00 C ATOM 289 O HIS A 22 -7.289 19.850 -2.649 1.00 0.00 O ATOM 290 CB HIS A 22 -4.454 19.955 -2.328 1.00 0.00 C ATOM 291 CG HIS A 22 -2.999 19.840 -1.994 1.00 0.00 C ATOM 292 ND1 HIS A 22 -2.376 19.275 -0.933 1.00 0.00 N flip ATOM 293 CD2 HIS A 22 -2.000 20.344 -2.800 1.00 0.00 C flip ATOM 294 CE1 HIS A 22 -1.026 19.446 -1.116 1.00 0.00 C flip ATOM 295 NE2 HIS A 22 -0.825 20.093 -2.250 1.00 0.00 N flip ATOM 0 H HIS A 22 -4.215 17.379 -2.220 1.00 0.00 H new ATOM 0 HA HIS A 22 -5.496 19.419 -0.528 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -4.591 19.756 -3.391 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.779 20.980 -2.151 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.154 20.863 -3.735 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.254 19.106 -0.442 1.00 0.00 H new ATOM 0 HE2 HIS A 22 0.083 20.354 -2.635 1.00 0.00 H new ATOM 304 N ARG A 23 -7.195 17.632 -2.280 1.00 0.00 N ATOM 305 CA ARG A 23 -8.483 17.363 -2.907 1.00 0.00 C ATOM 306 C ARG A 23 -9.625 17.934 -2.071 1.00 0.00 C ATOM 307 O ARG A 23 -10.395 18.781 -2.524 1.00 0.00 O ATOM 308 CB ARG A 23 -8.678 15.857 -3.094 1.00 0.00 C ATOM 309 CG ARG A 23 -10.126 15.410 -2.971 1.00 0.00 C ATOM 310 CD ARG A 23 -10.257 13.901 -3.107 1.00 0.00 C ATOM 311 NE ARG A 23 -9.905 13.441 -4.448 1.00 0.00 N ATOM 312 CZ ARG A 23 -9.629 12.175 -4.741 1.00 0.00 C ATOM 313 NH1 ARG A 23 -9.664 11.249 -3.793 1.00 0.00 N ATOM 314 NH2 ARG A 23 -9.317 11.833 -5.985 1.00 0.00 N ATOM 0 H ARG A 23 -6.722 16.805 -1.915 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.492 17.848 -3.883 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.300 15.569 -4.075 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.079 15.327 -2.354 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.525 15.725 -2.007 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.725 15.899 -3.739 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.613 13.414 -2.375 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.280 13.604 -2.878 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.869 14.129 -5.200 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.903 11.508 -2.836 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.452 10.278 -4.021 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.289 12.543 -6.717 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.105 10.861 -6.209 1.00 0.00 H new ATOM 328 N PRO A 24 -9.738 17.461 -0.821 1.00 0.00 N ATOM 329 CA PRO A 24 -10.782 17.911 0.104 1.00 0.00 C ATOM 330 C PRO A 24 -10.570 19.349 0.563 1.00 0.00 C ATOM 331 O PRO A 24 -11.529 20.082 0.800 1.00 0.00 O ATOM 332 CB PRO A 24 -10.648 16.947 1.286 1.00 0.00 C ATOM 333 CG PRO A 24 -9.232 16.487 1.240 1.00 0.00 C ATOM 334 CD PRO A 24 -8.855 16.451 -0.215 1.00 0.00 C ATOM 0 HA PRO A 24 -11.768 17.904 -0.360 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.872 17.444 2.230 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.340 16.110 1.194 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.583 17.165 1.794 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.127 15.502 1.695 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.803 16.696 -0.364 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.017 15.464 -0.648 1.00 0.00 H new ATOM 342 N GLN A 25 -9.307 19.746 0.686 1.00 0.00 N ATOM 343 CA GLN A 25 -8.970 21.097 1.117 1.00 0.00 C ATOM 344 C GLN A 25 -9.606 22.136 0.200 1.00 0.00 C ATOM 345 O GLN A 25 -10.270 23.065 0.662 1.00 0.00 O ATOM 346 CB GLN A 25 -7.452 21.284 1.142 1.00 0.00 C ATOM 347 CG GLN A 25 -7.004 22.534 1.882 1.00 0.00 C ATOM 348 CD GLN A 25 -7.980 23.683 1.729 1.00 0.00 C ATOM 349 OE1 GLN A 25 -8.065 24.305 0.670 1.00 0.00 O ATOM 350 NE2 GLN A 25 -8.725 23.972 2.790 1.00 0.00 N ATOM 0 H GLN A 25 -8.501 19.151 0.493 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.363 21.238 2.124 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.995 20.412 1.609 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.083 21.327 0.117 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.885 22.302 2.940 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.026 22.841 1.511 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -8.622 23.430 3.648 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -9.400 24.735 2.747 1.00 0.00 H new ATOM 359 N PHE A 26 -9.400 21.974 -1.103 1.00 0.00 N ATOM 360 CA PHE A 26 -9.952 22.899 -2.086 1.00 0.00 C ATOM 361 C PHE A 26 -11.427 23.174 -1.805 1.00 0.00 C ATOM 362 O PHE A 26 -11.840 24.326 -1.667 1.00 0.00 O ATOM 363 CB PHE A 26 -9.787 22.334 -3.498 1.00 0.00 C ATOM 364 CG PHE A 26 -9.931 23.368 -4.578 1.00 0.00 C ATOM 365 CD1 PHE A 26 -11.093 24.115 -4.690 1.00 0.00 C ATOM 366 CD2 PHE A 26 -8.904 23.595 -5.480 1.00 0.00 C ATOM 367 CE1 PHE A 26 -11.229 25.066 -5.683 1.00 0.00 C ATOM 368 CE2 PHE A 26 -9.034 24.546 -6.475 1.00 0.00 C ATOM 369 CZ PHE A 26 -10.197 25.283 -6.576 1.00 0.00 C ATOM 0 H PHE A 26 -8.855 21.210 -1.503 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.404 23.839 -2.012 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.806 21.867 -3.582 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -10.527 21.550 -3.656 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -11.902 23.952 -3.993 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -7.991 23.022 -5.405 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -12.141 25.639 -5.761 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -8.226 24.712 -7.173 1.00 0.00 H new ATOM 0 HZ PHE A 26 -10.300 26.028 -7.351 1.00 0.00 H new ATOM 379 N LEU A 27 -12.216 22.108 -1.722 1.00 0.00 N ATOM 380 CA LEU A 27 -13.645 22.233 -1.458 1.00 0.00 C ATOM 381 C LEU A 27 -13.907 23.236 -0.340 1.00 0.00 C ATOM 382 O LEU A 27 -14.653 24.199 -0.519 1.00 0.00 O ATOM 383 CB LEU A 27 -14.235 20.871 -1.086 1.00 0.00 C ATOM 384 CG LEU A 27 -14.639 19.973 -2.256 1.00 0.00 C ATOM 385 CD1 LEU A 27 -15.999 20.383 -2.799 1.00 0.00 C ATOM 386 CD2 LEU A 27 -13.587 20.022 -3.354 1.00 0.00 C ATOM 0 H LEU A 27 -11.890 21.148 -1.834 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.127 22.596 -2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.506 20.335 -0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.112 21.036 -0.461 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.710 18.947 -1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -16.270 19.733 -3.631 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -16.747 20.295 -2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.956 21.416 -3.145 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.891 19.377 -4.178 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.484 21.046 -3.713 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -12.631 19.678 -2.958 1.00 0.00 H new ATOM 398 N ILE A 28 -13.286 23.005 0.812 1.00 0.00 N ATOM 399 CA ILE A 28 -13.450 23.891 1.958 1.00 0.00 C ATOM 400 C ILE A 28 -13.336 25.354 1.543 1.00 0.00 C ATOM 401 O ILE A 28 -14.298 26.114 1.647 1.00 0.00 O ATOM 402 CB ILE A 28 -12.405 23.597 3.051 1.00 0.00 C ATOM 403 CG1 ILE A 28 -12.762 22.308 3.794 1.00 0.00 C ATOM 404 CG2 ILE A 28 -12.309 24.765 4.021 1.00 0.00 C ATOM 405 CD1 ILE A 28 -12.232 21.058 3.127 1.00 0.00 C ATOM 0 H ILE A 28 -12.665 22.213 0.976 1.00 0.00 H new ATOM 0 HA ILE A 28 -14.446 23.706 2.359 1.00 0.00 H new ATOM 0 HB ILE A 28 -11.433 23.464 2.577 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -12.369 22.363 4.809 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -13.846 22.234 3.876 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.567 24.542 4.787 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -12.013 25.664 3.480 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -13.279 24.928 4.492 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -12.523 20.184 3.709 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -12.645 20.979 2.122 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -11.145 21.110 3.069 1.00 0.00 H new ATOM 417 N GLU A 29 -12.155 25.739 1.071 1.00 0.00 N ATOM 418 CA GLU A 29 -11.917 27.112 0.639 1.00 0.00 C ATOM 419 C GLU A 29 -12.974 27.556 -0.368 1.00 0.00 C ATOM 420 O GLU A 29 -13.553 28.634 -0.240 1.00 0.00 O ATOM 421 CB GLU A 29 -10.523 27.241 0.021 1.00 0.00 C ATOM 422 CG GLU A 29 -9.438 27.574 1.032 1.00 0.00 C ATOM 423 CD GLU A 29 -8.151 28.034 0.376 1.00 0.00 C ATOM 424 OE1 GLU A 29 -7.812 27.504 -0.703 1.00 0.00 O ATOM 425 OE2 GLU A 29 -7.483 28.924 0.941 1.00 0.00 O ATOM 0 H GLU A 29 -11.349 25.121 0.978 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.980 27.758 1.515 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.268 26.306 -0.478 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.545 28.016 -0.745 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.799 28.354 1.703 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.235 26.695 1.645 1.00 0.00 H new ATOM 432 N ASN A 30 -13.219 26.717 -1.369 1.00 0.00 N ATOM 433 CA ASN A 30 -14.206 27.024 -2.399 1.00 0.00 C ATOM 434 C ASN A 30 -15.329 25.991 -2.401 1.00 0.00 C ATOM 435 O ASN A 30 -15.332 25.042 -3.185 1.00 0.00 O ATOM 436 CB ASN A 30 -13.539 27.071 -3.775 1.00 0.00 C ATOM 437 CG ASN A 30 -12.183 27.750 -3.738 1.00 0.00 C ATOM 438 OD1 ASN A 30 -12.084 28.971 -3.864 1.00 0.00 O ATOM 439 ND2 ASN A 30 -11.130 26.960 -3.564 1.00 0.00 N ATOM 0 H ASN A 30 -12.748 25.820 -1.489 1.00 0.00 H new ATOM 0 HA ASN A 30 -14.635 28.001 -2.177 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.424 26.056 -4.155 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -14.188 27.600 -4.473 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.192 27.360 -3.530 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.259 25.953 -3.464 1.00 0.00 H new ATOM 446 N PRO A 31 -16.307 26.179 -1.502 1.00 0.00 N ATOM 447 CA PRO A 31 -17.454 25.275 -1.380 1.00 0.00 C ATOM 448 C PRO A 31 -18.398 25.373 -2.574 1.00 0.00 C ATOM 449 O PRO A 31 -19.319 24.568 -2.718 1.00 0.00 O ATOM 450 CB PRO A 31 -18.152 25.756 -0.106 1.00 0.00 C ATOM 451 CG PRO A 31 -17.760 27.188 0.023 1.00 0.00 C ATOM 452 CD PRO A 31 -16.367 27.288 -0.536 1.00 0.00 C ATOM 0 HA PRO A 31 -17.147 24.230 -1.345 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -19.234 25.647 -0.182 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -17.834 25.179 0.762 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.448 27.832 -0.525 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.786 27.508 1.065 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.196 28.250 -1.018 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -15.613 27.183 0.244 1.00 0.00 H new ATOM 460 N LYS A 32 -18.164 26.364 -3.427 1.00 0.00 N ATOM 461 CA LYS A 32 -18.993 26.567 -4.610 1.00 0.00 C ATOM 462 C LYS A 32 -18.557 25.645 -5.744 1.00 0.00 C ATOM 463 O LYS A 32 -19.359 25.278 -6.604 1.00 0.00 O ATOM 464 CB LYS A 32 -18.917 28.026 -5.067 1.00 0.00 C ATOM 465 CG LYS A 32 -19.505 29.007 -4.068 1.00 0.00 C ATOM 466 CD LYS A 32 -21.018 29.079 -4.181 1.00 0.00 C ATOM 467 CE LYS A 32 -21.451 30.056 -5.263 1.00 0.00 C ATOM 468 NZ LYS A 32 -21.443 31.463 -4.774 1.00 0.00 N ATOM 0 H LYS A 32 -17.407 27.040 -3.322 1.00 0.00 H new ATOM 0 HA LYS A 32 -20.023 26.328 -4.347 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -17.875 28.287 -5.250 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -19.442 28.128 -6.017 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -19.229 28.708 -3.057 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -19.079 29.996 -4.235 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -21.415 28.089 -4.404 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -21.441 29.384 -3.224 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -20.785 29.966 -6.121 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -22.452 29.797 -5.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -21.744 32.099 -5.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -22.097 31.555 -3.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -20.482 31.719 -4.469 1.00 0.00 H new ATOM 482 N THR A 33 -17.281 25.272 -5.741 1.00 0.00 N ATOM 483 CA THR A 33 -16.739 24.392 -6.769 1.00 0.00 C ATOM 484 C THR A 33 -17.219 22.959 -6.575 1.00 0.00 C ATOM 485 O THR A 33 -17.256 22.453 -5.453 1.00 0.00 O ATOM 486 CB THR A 33 -15.199 24.410 -6.769 1.00 0.00 C ATOM 487 OG1 THR A 33 -14.724 25.761 -6.787 1.00 0.00 O ATOM 488 CG2 THR A 33 -14.648 23.658 -7.971 1.00 0.00 C ATOM 0 H THR A 33 -16.603 25.566 -5.038 1.00 0.00 H new ATOM 0 HA THR A 33 -17.099 24.766 -7.727 1.00 0.00 H new ATOM 0 HB THR A 33 -14.853 23.916 -5.861 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.757 25.766 -6.946 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.559 23.685 -7.949 1.00 0.00 H new ATOM 0 HG22 THR A 33 -14.986 22.622 -7.939 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.004 24.127 -8.888 1.00 0.00 H new ATOM 496 N SER A 34 -17.585 22.308 -7.675 1.00 0.00 N ATOM 497 CA SER A 34 -18.067 20.933 -7.625 1.00 0.00 C ATOM 498 C SER A 34 -16.972 19.992 -7.131 1.00 0.00 C ATOM 499 O SER A 34 -15.815 20.389 -6.985 1.00 0.00 O ATOM 500 CB SER A 34 -18.551 20.489 -9.007 1.00 0.00 C ATOM 501 OG SER A 34 -19.437 19.388 -8.907 1.00 0.00 O ATOM 0 H SER A 34 -17.557 22.711 -8.612 1.00 0.00 H new ATOM 0 HA SER A 34 -18.902 20.892 -6.925 1.00 0.00 H new ATOM 0 HB2 SER A 34 -19.052 21.319 -9.504 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.696 20.217 -9.625 1.00 0.00 H new ATOM 0 HG SER A 34 -19.733 19.124 -9.803 1.00 0.00 H new ATOM 507 N LEU A 35 -17.345 18.743 -6.876 1.00 0.00 N ATOM 508 CA LEU A 35 -16.396 17.743 -6.399 1.00 0.00 C ATOM 509 C LEU A 35 -15.293 17.504 -7.426 1.00 0.00 C ATOM 510 O LEU A 35 -14.119 17.761 -7.161 1.00 0.00 O ATOM 511 CB LEU A 35 -17.118 16.429 -6.095 1.00 0.00 C ATOM 512 CG LEU A 35 -16.430 15.501 -5.094 1.00 0.00 C ATOM 513 CD1 LEU A 35 -17.456 14.652 -4.360 1.00 0.00 C ATOM 514 CD2 LEU A 35 -15.411 14.617 -5.800 1.00 0.00 C ATOM 0 H LEU A 35 -18.298 18.398 -6.992 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.940 18.120 -5.484 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -18.113 16.664 -5.718 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -17.252 15.886 -7.031 1.00 0.00 H new ATOM 0 HG LEU A 35 -15.905 16.114 -4.361 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -16.947 13.998 -3.652 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -18.148 15.301 -3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -18.010 14.048 -5.079 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.931 13.963 -5.072 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -15.914 14.013 -6.555 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -14.657 15.242 -6.279 1.00 0.00 H new ATOM 526 N GLU A 36 -15.681 17.014 -8.599 1.00 0.00 N ATOM 527 CA GLU A 36 -14.724 16.743 -9.666 1.00 0.00 C ATOM 528 C GLU A 36 -13.985 18.015 -10.071 1.00 0.00 C ATOM 529 O GLU A 36 -12.762 18.017 -10.214 1.00 0.00 O ATOM 530 CB GLU A 36 -15.438 16.146 -10.881 1.00 0.00 C ATOM 531 CG GLU A 36 -15.953 14.736 -10.652 1.00 0.00 C ATOM 532 CD GLU A 36 -14.911 13.677 -10.955 1.00 0.00 C ATOM 533 OE1 GLU A 36 -13.970 13.524 -10.148 1.00 0.00 O ATOM 534 OE2 GLU A 36 -15.035 13.002 -11.998 1.00 0.00 O ATOM 0 H GLU A 36 -16.649 16.797 -8.835 1.00 0.00 H new ATOM 0 HA GLU A 36 -13.995 16.024 -9.292 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -16.275 16.790 -11.153 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -14.752 16.140 -11.728 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -16.277 14.635 -9.616 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -16.829 14.567 -11.278 1.00 0.00 H new ATOM 541 N ASP A 37 -14.736 19.096 -10.254 1.00 0.00 N ATOM 542 CA ASP A 37 -14.153 20.375 -10.641 1.00 0.00 C ATOM 543 C ASP A 37 -12.951 20.712 -9.766 1.00 0.00 C ATOM 544 O ASP A 37 -11.836 20.874 -10.261 1.00 0.00 O ATOM 545 CB ASP A 37 -15.199 21.487 -10.542 1.00 0.00 C ATOM 546 CG ASP A 37 -14.755 22.762 -11.231 1.00 0.00 C ATOM 547 OD1 ASP A 37 -13.535 23.025 -11.264 1.00 0.00 O ATOM 548 OD2 ASP A 37 -15.628 23.498 -11.738 1.00 0.00 O ATOM 0 H ASP A 37 -15.750 19.112 -10.140 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.816 20.294 -11.674 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.133 21.144 -10.986 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -15.404 21.697 -9.492 1.00 0.00 H new ATOM 553 N ALA A 38 -13.185 20.817 -8.462 1.00 0.00 N ATOM 554 CA ALA A 38 -12.121 21.134 -7.517 1.00 0.00 C ATOM 555 C ALA A 38 -10.863 20.326 -7.816 1.00 0.00 C ATOM 556 O ALA A 38 -9.745 20.800 -7.615 1.00 0.00 O ATOM 557 CB ALA A 38 -12.588 20.879 -6.092 1.00 0.00 C ATOM 0 H ALA A 38 -14.102 20.687 -8.036 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.876 22.191 -7.624 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.784 21.120 -5.397 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.454 21.504 -5.876 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.861 19.830 -5.981 1.00 0.00 H new ATOM 563 N THR A 39 -11.052 19.101 -8.298 1.00 0.00 N ATOM 564 CA THR A 39 -9.933 18.226 -8.623 1.00 0.00 C ATOM 565 C THR A 39 -9.404 18.508 -10.024 1.00 0.00 C ATOM 566 O THR A 39 -8.202 18.413 -10.276 1.00 0.00 O ATOM 567 CB THR A 39 -10.334 16.742 -8.527 1.00 0.00 C ATOM 568 OG1 THR A 39 -11.122 16.522 -7.352 1.00 0.00 O ATOM 569 CG2 THR A 39 -9.102 15.850 -8.492 1.00 0.00 C ATOM 0 H THR A 39 -11.970 18.693 -8.472 1.00 0.00 H new ATOM 0 HA THR A 39 -9.149 18.431 -7.894 1.00 0.00 H new ATOM 0 HB THR A 39 -10.921 16.489 -9.410 1.00 0.00 H new ATOM 0 HG1 THR A 39 -12.015 16.906 -7.480 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.410 14.807 -8.424 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.520 15.998 -9.401 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.492 16.105 -7.625 1.00 0.00 H new ATOM 577 N LEU A 40 -10.307 18.857 -10.934 1.00 0.00 N ATOM 578 CA LEU A 40 -9.930 19.154 -12.312 1.00 0.00 C ATOM 579 C LEU A 40 -8.803 20.180 -12.359 1.00 0.00 C ATOM 580 O LEU A 40 -7.996 20.187 -13.288 1.00 0.00 O ATOM 581 CB LEU A 40 -11.140 19.672 -13.091 1.00 0.00 C ATOM 582 CG LEU A 40 -12.154 18.618 -13.535 1.00 0.00 C ATOM 583 CD1 LEU A 40 -13.325 19.272 -14.252 1.00 0.00 C ATOM 584 CD2 LEU A 40 -11.490 17.582 -14.430 1.00 0.00 C ATOM 0 H LEU A 40 -11.305 18.941 -10.743 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.576 18.232 -12.773 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.657 20.407 -12.474 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.780 20.196 -13.976 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.534 18.112 -12.648 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -14.036 18.506 -14.561 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.817 19.974 -13.579 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.962 19.805 -15.131 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.227 16.840 -14.736 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.081 18.073 -15.313 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.686 17.090 -13.883 1.00 0.00 H new ATOM 596 N GLN A 41 -8.753 21.044 -11.350 1.00 0.00 N ATOM 597 CA GLN A 41 -7.723 22.073 -11.276 1.00 0.00 C ATOM 598 C GLN A 41 -6.482 21.551 -10.560 1.00 0.00 C ATOM 599 O GLN A 41 -5.355 21.811 -10.982 1.00 0.00 O ATOM 600 CB GLN A 41 -8.260 23.311 -10.554 1.00 0.00 C ATOM 601 CG GLN A 41 -9.198 24.152 -11.405 1.00 0.00 C ATOM 602 CD GLN A 41 -9.876 25.252 -10.613 1.00 0.00 C ATOM 603 OE1 GLN A 41 -9.217 26.139 -10.070 1.00 0.00 O ATOM 604 NE2 GLN A 41 -11.201 25.200 -10.542 1.00 0.00 N ATOM 0 H GLN A 41 -9.414 21.052 -10.573 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.445 22.346 -12.294 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.785 22.996 -9.652 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.420 23.928 -10.235 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.637 24.595 -12.228 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.957 23.507 -11.848 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.707 24.447 -11.007 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.712 25.913 -10.022 1.00 0.00 H new ATOM 613 N ILE A 42 -6.697 20.815 -9.475 1.00 0.00 N ATOM 614 CA ILE A 42 -5.595 20.256 -8.701 1.00 0.00 C ATOM 615 C ILE A 42 -4.738 19.328 -9.556 1.00 0.00 C ATOM 616 O ILE A 42 -3.510 19.387 -9.512 1.00 0.00 O ATOM 617 CB ILE A 42 -6.107 19.478 -7.474 1.00 0.00 C ATOM 618 CG1 ILE A 42 -6.895 20.406 -6.547 1.00 0.00 C ATOM 619 CG2 ILE A 42 -4.944 18.839 -6.729 1.00 0.00 C ATOM 620 CD1 ILE A 42 -7.706 19.671 -5.503 1.00 0.00 C ATOM 0 H ILE A 42 -7.624 20.592 -9.112 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.989 21.096 -8.362 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.773 18.686 -7.816 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.201 21.082 -6.047 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.564 21.023 -7.147 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.322 18.293 -5.865 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.421 18.151 -7.393 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.255 19.615 -6.395 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.238 20.392 -4.882 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.425 19.016 -5.995 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.040 19.075 -4.878 1.00 0.00 H new ATOM 632 N GLU A 43 -5.396 18.474 -10.334 1.00 0.00 N ATOM 633 CA GLU A 43 -4.693 17.534 -11.199 1.00 0.00 C ATOM 634 C GLU A 43 -3.707 18.264 -12.107 1.00 0.00 C ATOM 635 O GLU A 43 -2.516 17.953 -12.123 1.00 0.00 O ATOM 636 CB GLU A 43 -5.691 16.741 -12.046 1.00 0.00 C ATOM 637 CG GLU A 43 -6.222 15.497 -11.354 1.00 0.00 C ATOM 638 CD GLU A 43 -5.334 14.287 -11.568 1.00 0.00 C ATOM 639 OE1 GLU A 43 -4.098 14.432 -11.467 1.00 0.00 O ATOM 640 OE2 GLU A 43 -5.876 13.194 -11.836 1.00 0.00 O ATOM 0 H GLU A 43 -6.413 18.414 -10.383 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.136 16.844 -10.566 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.529 17.388 -12.306 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.211 16.450 -12.981 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.314 15.691 -10.285 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.223 15.279 -11.725 1.00 0.00 H new ATOM 647 N GLU A 44 -4.212 19.235 -12.861 1.00 0.00 N ATOM 648 CA GLU A 44 -3.376 20.008 -13.772 1.00 0.00 C ATOM 649 C GLU A 44 -2.306 20.780 -13.005 1.00 0.00 C ATOM 650 O GLU A 44 -1.208 21.012 -13.513 1.00 0.00 O ATOM 651 CB GLU A 44 -4.233 20.977 -14.588 1.00 0.00 C ATOM 652 CG GLU A 44 -5.159 20.287 -15.576 1.00 0.00 C ATOM 653 CD GLU A 44 -5.484 21.156 -16.776 1.00 0.00 C ATOM 654 OE1 GLU A 44 -6.452 21.940 -16.696 1.00 0.00 O ATOM 655 OE2 GLU A 44 -4.769 21.051 -17.794 1.00 0.00 O ATOM 0 H GLU A 44 -5.196 19.505 -12.859 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.882 19.312 -14.450 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.830 21.583 -13.907 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.578 21.658 -15.131 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.695 19.361 -15.917 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.084 20.012 -15.070 1.00 0.00 H new ATOM 662 N LEU A 45 -2.634 21.176 -11.781 1.00 0.00 N ATOM 663 CA LEU A 45 -1.702 21.923 -10.943 1.00 0.00 C ATOM 664 C LEU A 45 -0.487 21.072 -10.587 1.00 0.00 C ATOM 665 O LEU A 45 0.614 21.591 -10.400 1.00 0.00 O ATOM 666 CB LEU A 45 -2.399 22.396 -9.666 1.00 0.00 C ATOM 667 CG LEU A 45 -1.489 22.686 -8.472 1.00 0.00 C ATOM 668 CD1 LEU A 45 -0.630 23.912 -8.741 1.00 0.00 C ATOM 669 CD2 LEU A 45 -2.313 22.877 -7.207 1.00 0.00 C ATOM 0 H LEU A 45 -3.538 20.993 -11.346 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.362 22.792 -11.507 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.961 23.301 -9.897 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.123 21.638 -9.369 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.830 21.830 -8.326 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.011 24.103 -7.880 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.012 23.737 -9.622 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.272 24.776 -8.914 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.649 23.082 -6.368 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.997 23.715 -7.342 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.884 21.971 -7.004 1.00 0.00 H new ATOM 681 N TRP A 46 -0.694 19.763 -10.498 1.00 0.00 N ATOM 682 CA TRP A 46 0.385 18.839 -10.166 1.00 0.00 C ATOM 683 C TRP A 46 1.349 18.686 -11.338 1.00 0.00 C ATOM 684 O TRP A 46 2.529 18.389 -11.149 1.00 0.00 O ATOM 685 CB TRP A 46 -0.186 17.475 -9.777 1.00 0.00 C ATOM 686 CG TRP A 46 0.803 16.357 -9.912 1.00 0.00 C ATOM 687 CD1 TRP A 46 0.884 15.452 -10.932 1.00 0.00 C ATOM 688 CD2 TRP A 46 1.851 16.024 -8.995 1.00 0.00 C ATOM 689 NE1 TRP A 46 1.918 14.577 -10.705 1.00 0.00 N ATOM 690 CE2 TRP A 46 2.528 14.908 -9.523 1.00 0.00 C ATOM 691 CE3 TRP A 46 2.285 16.563 -7.781 1.00 0.00 C ATOM 692 CZ2 TRP A 46 3.613 14.321 -8.877 1.00 0.00 C ATOM 693 CZ3 TRP A 46 3.362 15.979 -7.140 1.00 0.00 C ATOM 694 CH2 TRP A 46 4.016 14.868 -7.689 1.00 0.00 C ATOM 0 H TRP A 46 -1.599 19.317 -10.651 1.00 0.00 H new ATOM 0 HA TRP A 46 0.935 19.249 -9.319 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.538 17.517 -8.746 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.053 17.261 -10.401 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.230 15.428 -11.791 1.00 0.00 H new ATOM 0 HE1 TRP A 46 2.188 13.806 -11.316 1.00 0.00 H new ATOM 0 HE3 TRP A 46 1.788 17.420 -7.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 4.118 13.465 -9.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 3.705 16.386 -6.200 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.855 14.435 -7.164 1.00 0.00 H new ATOM 705 N LYS A 47 0.840 18.890 -12.548 1.00 0.00 N ATOM 706 CA LYS A 47 1.656 18.776 -13.751 1.00 0.00 C ATOM 707 C LYS A 47 2.427 20.066 -14.009 1.00 0.00 C ATOM 708 O LYS A 47 3.361 20.094 -14.812 1.00 0.00 O ATOM 709 CB LYS A 47 0.776 18.445 -14.959 1.00 0.00 C ATOM 710 CG LYS A 47 0.524 16.958 -15.137 1.00 0.00 C ATOM 711 CD LYS A 47 -0.741 16.699 -15.939 1.00 0.00 C ATOM 712 CE LYS A 47 -1.981 16.761 -15.060 1.00 0.00 C ATOM 713 NZ LYS A 47 -2.174 15.504 -14.285 1.00 0.00 N ATOM 0 H LYS A 47 -0.135 19.135 -12.722 1.00 0.00 H new ATOM 0 HA LYS A 47 2.373 17.969 -13.599 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.180 18.957 -14.853 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.248 18.836 -15.860 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.376 16.502 -15.641 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.440 16.483 -14.160 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.823 17.435 -16.738 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.678 15.719 -16.413 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.897 17.603 -14.372 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.858 16.943 -15.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.029 15.586 -13.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.279 14.704 -14.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.349 15.343 -13.673 1.00 0.00 H new ATOM 727 N THR A 48 2.032 21.134 -13.323 1.00 0.00 N ATOM 728 CA THR A 48 2.687 22.427 -13.478 1.00 0.00 C ATOM 729 C THR A 48 3.509 22.778 -12.244 1.00 0.00 C ATOM 730 O THR A 48 4.096 23.858 -12.162 1.00 0.00 O ATOM 731 CB THR A 48 1.662 23.548 -13.734 1.00 0.00 C ATOM 732 OG1 THR A 48 0.740 23.629 -12.641 1.00 0.00 O ATOM 733 CG2 THR A 48 0.902 23.301 -15.029 1.00 0.00 C ATOM 0 H THR A 48 1.262 21.129 -12.655 1.00 0.00 H new ATOM 0 HA THR A 48 3.349 22.345 -14.340 1.00 0.00 H new ATOM 0 HB THR A 48 2.202 24.491 -13.823 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.949 22.933 -11.984 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.184 24.105 -15.189 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.604 23.270 -15.863 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.373 22.350 -14.965 1.00 0.00 H new ATOM 741 N LEU A 49 3.550 21.860 -11.284 1.00 0.00 N ATOM 742 CA LEU A 49 4.302 22.073 -10.053 1.00 0.00 C ATOM 743 C LEU A 49 5.790 22.235 -10.345 1.00 0.00 C ATOM 744 O LEU A 49 6.211 22.226 -11.502 1.00 0.00 O ATOM 745 CB LEU A 49 4.084 20.904 -9.091 1.00 0.00 C ATOM 746 CG LEU A 49 2.908 21.041 -8.123 1.00 0.00 C ATOM 747 CD1 LEU A 49 2.619 19.713 -7.442 1.00 0.00 C ATOM 748 CD2 LEU A 49 3.190 22.123 -7.091 1.00 0.00 C ATOM 0 H LEU A 49 3.071 20.961 -11.335 1.00 0.00 H new ATOM 0 HA LEU A 49 3.940 22.990 -9.589 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.941 19.998 -9.679 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.994 20.765 -8.508 1.00 0.00 H new ATOM 0 HG LEU A 49 2.025 21.332 -8.693 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.779 19.830 -6.757 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.371 18.964 -8.195 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.499 19.391 -6.885 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.343 22.207 -6.411 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.085 21.862 -6.526 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.345 23.076 -7.596 1.00 0.00 H new ATOM 760 N SER A 50 6.583 22.381 -9.288 1.00 0.00 N ATOM 761 CA SER A 50 8.025 22.546 -9.432 1.00 0.00 C ATOM 762 C SER A 50 8.697 21.212 -9.738 1.00 0.00 C ATOM 763 O SER A 50 8.029 20.193 -9.907 1.00 0.00 O ATOM 764 CB SER A 50 8.620 23.149 -8.157 1.00 0.00 C ATOM 765 OG SER A 50 9.792 23.892 -8.444 1.00 0.00 O ATOM 0 H SER A 50 6.252 22.388 -8.323 1.00 0.00 H new ATOM 0 HA SER A 50 8.207 23.224 -10.266 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.884 23.795 -7.679 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.854 22.354 -7.449 1.00 0.00 H new ATOM 0 HG SER A 50 10.442 23.771 -7.720 1.00 0.00 H new ATOM 771 N GLU A 51 10.025 21.227 -9.807 1.00 0.00 N ATOM 772 CA GLU A 51 10.788 20.018 -10.094 1.00 0.00 C ATOM 773 C GLU A 51 10.969 19.177 -8.834 1.00 0.00 C ATOM 774 O GLU A 51 10.601 18.003 -8.801 1.00 0.00 O ATOM 775 CB GLU A 51 12.155 20.378 -10.680 1.00 0.00 C ATOM 776 CG GLU A 51 12.134 20.595 -12.184 1.00 0.00 C ATOM 777 CD GLU A 51 11.262 21.766 -12.593 1.00 0.00 C ATOM 778 OE1 GLU A 51 11.661 22.921 -12.335 1.00 0.00 O ATOM 779 OE2 GLU A 51 10.181 21.527 -13.171 1.00 0.00 O ATOM 0 H GLU A 51 10.594 22.062 -9.668 1.00 0.00 H new ATOM 0 HA GLU A 51 10.230 19.432 -10.824 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.522 21.283 -10.196 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.862 19.582 -10.446 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.151 20.764 -12.537 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.773 19.690 -12.673 1.00 0.00 H new ATOM 786 N GLU A 52 11.538 19.787 -7.799 1.00 0.00 N ATOM 787 CA GLU A 52 11.768 19.093 -6.537 1.00 0.00 C ATOM 788 C GLU A 52 10.449 18.656 -5.907 1.00 0.00 C ATOM 789 O GLU A 52 10.377 17.617 -5.252 1.00 0.00 O ATOM 790 CB GLU A 52 12.534 19.995 -5.566 1.00 0.00 C ATOM 791 CG GLU A 52 11.808 21.288 -5.235 1.00 0.00 C ATOM 792 CD GLU A 52 11.998 22.353 -6.297 1.00 0.00 C ATOM 793 OE1 GLU A 52 12.816 22.135 -7.215 1.00 0.00 O ATOM 794 OE2 GLU A 52 11.330 23.405 -6.210 1.00 0.00 O ATOM 0 H GLU A 52 11.848 20.759 -7.809 1.00 0.00 H new ATOM 0 HA GLU A 52 12.364 18.204 -6.745 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.720 19.446 -4.643 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.507 20.234 -5.996 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.744 21.083 -5.118 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.167 21.667 -4.278 1.00 0.00 H new ATOM 801 N GLU A 53 9.408 19.456 -6.112 1.00 0.00 N ATOM 802 CA GLU A 53 8.091 19.152 -5.564 1.00 0.00 C ATOM 803 C GLU A 53 7.622 17.770 -6.010 1.00 0.00 C ATOM 804 O GLU A 53 7.363 16.893 -5.185 1.00 0.00 O ATOM 805 CB GLU A 53 7.076 20.212 -5.997 1.00 0.00 C ATOM 806 CG GLU A 53 5.729 20.083 -5.306 1.00 0.00 C ATOM 807 CD GLU A 53 5.702 20.764 -3.951 1.00 0.00 C ATOM 808 OE1 GLU A 53 5.930 21.990 -3.898 1.00 0.00 O ATOM 809 OE2 GLU A 53 5.452 20.069 -2.944 1.00 0.00 O ATOM 0 H GLU A 53 9.451 20.319 -6.653 1.00 0.00 H new ATOM 0 HA GLU A 53 8.168 19.157 -4.477 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.486 21.201 -5.793 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.930 20.144 -7.075 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.956 20.515 -5.941 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.487 19.027 -5.183 1.00 0.00 H new ATOM 816 N LYS A 54 7.515 17.583 -7.321 1.00 0.00 N ATOM 817 CA LYS A 54 7.078 16.309 -7.879 1.00 0.00 C ATOM 818 C LYS A 54 7.917 15.158 -7.331 1.00 0.00 C ATOM 819 O LYS A 54 7.417 14.049 -7.139 1.00 0.00 O ATOM 820 CB LYS A 54 7.171 16.339 -9.406 1.00 0.00 C ATOM 821 CG LYS A 54 6.002 17.044 -10.073 1.00 0.00 C ATOM 822 CD LYS A 54 6.121 17.010 -11.587 1.00 0.00 C ATOM 823 CE LYS A 54 4.772 17.228 -12.257 1.00 0.00 C ATOM 824 NZ LYS A 54 4.779 16.778 -13.676 1.00 0.00 N ATOM 0 H LYS A 54 7.725 18.298 -8.017 1.00 0.00 H new ATOM 0 HA LYS A 54 6.040 16.150 -7.587 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.097 16.836 -9.696 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.228 15.316 -9.778 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.069 16.570 -9.770 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.958 18.079 -9.734 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.820 17.779 -11.916 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.533 16.050 -11.899 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.002 16.686 -11.708 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.511 18.285 -12.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.396 17.532 -14.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.754 16.562 -13.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.192 15.925 -13.773 1.00 0.00 H new ATOM 838 N LEU A 55 9.193 15.430 -7.080 1.00 0.00 N ATOM 839 CA LEU A 55 10.101 14.418 -6.552 1.00 0.00 C ATOM 840 C LEU A 55 9.715 14.030 -5.128 1.00 0.00 C ATOM 841 O LEU A 55 9.414 12.870 -4.848 1.00 0.00 O ATOM 842 CB LEU A 55 11.541 14.932 -6.580 1.00 0.00 C ATOM 843 CG LEU A 55 12.329 14.651 -7.861 1.00 0.00 C ATOM 844 CD1 LEU A 55 12.607 13.162 -8.000 1.00 0.00 C ATOM 845 CD2 LEU A 55 11.574 15.170 -9.076 1.00 0.00 C ATOM 0 H LEU A 55 9.622 16.343 -7.234 1.00 0.00 H new ATOM 0 HA LEU A 55 10.026 13.533 -7.183 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.524 16.010 -6.416 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.080 14.491 -5.742 1.00 0.00 H new ATOM 0 HG LEU A 55 13.283 15.174 -7.800 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.168 12.981 -8.917 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.189 12.819 -7.144 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.663 12.618 -8.039 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.149 14.962 -9.978 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.605 14.675 -9.141 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.426 16.246 -8.980 1.00 0.00 H new ATOM 857 N LYS A 56 9.725 15.010 -4.230 1.00 0.00 N ATOM 858 CA LYS A 56 9.373 14.774 -2.835 1.00 0.00 C ATOM 859 C LYS A 56 8.285 13.710 -2.721 1.00 0.00 C ATOM 860 O LYS A 56 8.326 12.860 -1.831 1.00 0.00 O ATOM 861 CB LYS A 56 8.902 16.074 -2.179 1.00 0.00 C ATOM 862 CG LYS A 56 10.027 17.050 -1.885 1.00 0.00 C ATOM 863 CD LYS A 56 9.534 18.247 -1.090 1.00 0.00 C ATOM 864 CE LYS A 56 8.792 19.237 -1.976 1.00 0.00 C ATOM 865 NZ LYS A 56 8.505 20.512 -1.263 1.00 0.00 N ATOM 0 H LYS A 56 9.973 15.976 -4.444 1.00 0.00 H new ATOM 0 HA LYS A 56 10.263 14.415 -2.317 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.175 16.557 -2.831 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.387 15.836 -1.248 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.814 16.542 -1.328 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.468 17.391 -2.822 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.875 17.908 -0.290 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.380 18.744 -0.616 1.00 0.00 H new ATOM 0 HE2 LYS A 56 9.386 19.444 -2.866 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.856 18.791 -2.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.999 21.160 -1.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.917 20.318 -0.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.399 20.950 -0.962 1.00 0.00 H new ATOM 879 N TYR A 57 7.315 13.764 -3.626 1.00 0.00 N ATOM 880 CA TYR A 57 6.216 12.806 -3.626 1.00 0.00 C ATOM 881 C TYR A 57 6.635 11.495 -4.285 1.00 0.00 C ATOM 882 O TYR A 57 6.291 10.413 -3.813 1.00 0.00 O ATOM 883 CB TYR A 57 5.003 13.390 -4.352 1.00 0.00 C ATOM 884 CG TYR A 57 4.093 14.199 -3.455 1.00 0.00 C ATOM 885 CD1 TYR A 57 4.465 15.463 -3.015 1.00 0.00 C ATOM 886 CD2 TYR A 57 2.862 13.699 -3.048 1.00 0.00 C ATOM 887 CE1 TYR A 57 3.637 16.206 -2.196 1.00 0.00 C ATOM 888 CE2 TYR A 57 2.027 14.436 -2.230 1.00 0.00 C ATOM 889 CZ TYR A 57 2.419 15.689 -1.806 1.00 0.00 C ATOM 890 OH TYR A 57 1.591 16.425 -0.990 1.00 0.00 O ATOM 0 H TYR A 57 7.267 14.461 -4.369 1.00 0.00 H new ATOM 0 HA TYR A 57 5.947 12.601 -2.590 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.349 14.022 -5.170 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.431 12.577 -4.798 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.418 15.872 -3.318 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.553 12.718 -3.377 1.00 0.00 H new ATOM 0 HE1 TYR A 57 3.942 17.187 -1.863 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.073 14.033 -1.924 1.00 0.00 H new ATOM 0 HH TYR A 57 0.772 15.917 -0.811 1.00 0.00 H new ATOM 900 N GLU A 58 7.382 11.604 -5.380 1.00 0.00 N ATOM 901 CA GLU A 58 7.848 10.428 -6.105 1.00 0.00 C ATOM 902 C GLU A 58 8.368 9.365 -5.141 1.00 0.00 C ATOM 903 O GLU A 58 8.169 8.170 -5.355 1.00 0.00 O ATOM 904 CB GLU A 58 8.948 10.815 -7.096 1.00 0.00 C ATOM 905 CG GLU A 58 8.418 11.287 -8.440 1.00 0.00 C ATOM 906 CD GLU A 58 9.447 11.167 -9.547 1.00 0.00 C ATOM 907 OE1 GLU A 58 9.682 10.034 -10.018 1.00 0.00 O ATOM 908 OE2 GLU A 58 10.018 12.204 -9.942 1.00 0.00 O ATOM 0 H GLU A 58 7.677 12.493 -5.783 1.00 0.00 H new ATOM 0 HA GLU A 58 7.003 10.013 -6.655 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.559 11.605 -6.658 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.602 9.957 -7.254 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.536 10.703 -8.704 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.099 12.326 -8.356 1.00 0.00 H new ATOM 915 N GLU A 59 9.034 9.811 -4.081 1.00 0.00 N ATOM 916 CA GLU A 59 9.584 8.899 -3.086 1.00 0.00 C ATOM 917 C GLU A 59 8.472 8.114 -2.395 1.00 0.00 C ATOM 918 O GLU A 59 8.578 6.902 -2.204 1.00 0.00 O ATOM 919 CB GLU A 59 10.398 9.672 -2.047 1.00 0.00 C ATOM 920 CG GLU A 59 11.836 9.928 -2.467 1.00 0.00 C ATOM 921 CD GLU A 59 12.656 10.583 -1.374 1.00 0.00 C ATOM 922 OE1 GLU A 59 12.623 11.828 -1.273 1.00 0.00 O ATOM 923 OE2 GLU A 59 13.331 9.853 -0.619 1.00 0.00 O ATOM 0 H GLU A 59 9.206 10.798 -3.889 1.00 0.00 H new ATOM 0 HA GLU A 59 10.239 8.195 -3.599 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.910 10.627 -1.853 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.396 9.116 -1.109 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.302 8.984 -2.749 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.844 10.564 -3.352 1.00 0.00 H new ATOM 930 N LYS A 60 7.406 8.813 -2.022 1.00 0.00 N ATOM 931 CA LYS A 60 6.274 8.184 -1.353 1.00 0.00 C ATOM 932 C LYS A 60 5.578 7.191 -2.278 1.00 0.00 C ATOM 933 O LYS A 60 4.973 6.221 -1.822 1.00 0.00 O ATOM 934 CB LYS A 60 5.277 9.247 -0.885 1.00 0.00 C ATOM 935 CG LYS A 60 5.610 9.838 0.474 1.00 0.00 C ATOM 936 CD LYS A 60 4.809 11.101 0.744 1.00 0.00 C ATOM 937 CE LYS A 60 3.353 10.784 1.045 1.00 0.00 C ATOM 938 NZ LYS A 60 3.188 10.149 2.382 1.00 0.00 N ATOM 0 H LYS A 60 7.302 9.817 -2.172 1.00 0.00 H new ATOM 0 HA LYS A 60 6.652 7.642 -0.486 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.242 10.049 -1.622 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.281 8.806 -0.846 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.405 9.103 1.252 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.675 10.064 0.522 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.247 11.638 1.585 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.867 11.762 -0.121 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.766 11.701 1.004 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.960 10.119 0.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.184 10.164 2.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.521 9.165 2.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.744 10.674 3.087 1.00 0.00 H new ATOM 952 N ALA A 61 5.669 7.439 -3.581 1.00 0.00 N ATOM 953 CA ALA A 61 5.052 6.565 -4.570 1.00 0.00 C ATOM 954 C ALA A 61 5.873 5.296 -4.770 1.00 0.00 C ATOM 955 O ALA A 61 5.342 4.186 -4.726 1.00 0.00 O ATOM 956 CB ALA A 61 4.882 7.300 -5.891 1.00 0.00 C ATOM 0 H ALA A 61 6.164 8.239 -3.976 1.00 0.00 H new ATOM 0 HA ALA A 61 4.069 6.275 -4.199 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.420 6.635 -6.621 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.247 8.173 -5.742 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.857 7.619 -6.258 1.00 0.00 H new ATOM 962 N THR A 62 7.173 5.466 -4.991 1.00 0.00 N ATOM 963 CA THR A 62 8.068 4.335 -5.200 1.00 0.00 C ATOM 964 C THR A 62 8.165 3.473 -3.946 1.00 0.00 C ATOM 965 O THR A 62 8.432 2.273 -4.025 1.00 0.00 O ATOM 966 CB THR A 62 9.480 4.802 -5.599 1.00 0.00 C ATOM 967 OG1 THR A 62 10.299 3.671 -5.914 1.00 0.00 O ATOM 968 CG2 THR A 62 10.123 5.603 -4.477 1.00 0.00 C ATOM 0 H THR A 62 7.630 6.377 -5.030 1.00 0.00 H new ATOM 0 HA THR A 62 7.646 3.744 -6.013 1.00 0.00 H new ATOM 0 HB THR A 62 9.392 5.442 -6.477 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.195 3.976 -6.168 1.00 0.00 H new ATOM 0 HG21 THR A 62 11.120 5.922 -4.782 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.512 6.479 -4.259 1.00 0.00 H new ATOM 0 HG23 THR A 62 10.198 4.983 -3.584 1.00 0.00 H new ATOM 976 N LYS A 63 7.947 4.090 -2.790 1.00 0.00 N ATOM 977 CA LYS A 63 8.009 3.379 -1.519 1.00 0.00 C ATOM 978 C LYS A 63 6.932 2.301 -1.446 1.00 0.00 C ATOM 979 O LYS A 63 7.093 1.295 -0.755 1.00 0.00 O ATOM 980 CB LYS A 63 7.845 4.359 -0.355 1.00 0.00 C ATOM 981 CG LYS A 63 9.158 4.937 0.143 1.00 0.00 C ATOM 982 CD LYS A 63 8.965 5.739 1.419 1.00 0.00 C ATOM 983 CE LYS A 63 10.278 6.331 1.909 1.00 0.00 C ATOM 984 NZ LYS A 63 10.266 6.567 3.379 1.00 0.00 N ATOM 0 H LYS A 63 7.726 5.082 -2.707 1.00 0.00 H new ATOM 0 HA LYS A 63 8.985 2.898 -1.447 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.194 5.175 -0.667 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.346 3.850 0.470 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.867 4.129 0.324 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.591 5.575 -0.627 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.247 6.540 1.242 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.542 5.098 2.193 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.097 5.657 1.656 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.468 7.272 1.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.178 6.971 3.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.501 7.230 3.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.111 5.666 3.874 1.00 0.00 H new ATOM 998 N ASP A 64 5.835 2.518 -2.163 1.00 0.00 N ATOM 999 CA ASP A 64 4.732 1.564 -2.182 1.00 0.00 C ATOM 1000 C ASP A 64 4.868 0.600 -3.356 1.00 0.00 C ATOM 1001 O ASP A 64 4.254 -0.468 -3.371 1.00 0.00 O ATOM 1002 CB ASP A 64 3.394 2.300 -2.261 1.00 0.00 C ATOM 1003 CG ASP A 64 2.253 1.491 -1.675 1.00 0.00 C ATOM 1004 OD1 ASP A 64 2.185 0.275 -1.950 1.00 0.00 O ATOM 1005 OD2 ASP A 64 1.428 2.075 -0.942 1.00 0.00 O ATOM 0 H ASP A 64 5.686 3.346 -2.739 1.00 0.00 H new ATOM 0 HA ASP A 64 4.766 0.988 -1.257 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.473 3.249 -1.731 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.172 2.534 -3.302 1.00 0.00 H new ATOM 1010 N LEU A 65 5.674 0.983 -4.340 1.00 0.00 N ATOM 1011 CA LEU A 65 5.889 0.153 -5.520 1.00 0.00 C ATOM 1012 C LEU A 65 6.355 -1.244 -5.125 1.00 0.00 C ATOM 1013 O LEU A 65 5.997 -2.232 -5.766 1.00 0.00 O ATOM 1014 CB LEU A 65 6.920 0.805 -6.444 1.00 0.00 C ATOM 1015 CG LEU A 65 7.030 0.212 -7.849 1.00 0.00 C ATOM 1016 CD1 LEU A 65 6.026 0.866 -8.785 1.00 0.00 C ATOM 1017 CD2 LEU A 65 8.445 0.372 -8.386 1.00 0.00 C ATOM 0 H LEU A 65 6.189 1.863 -4.344 1.00 0.00 H new ATOM 0 HA LEU A 65 4.940 0.063 -6.049 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.678 1.864 -6.536 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.898 0.742 -5.967 1.00 0.00 H new ATOM 0 HG LEU A 65 6.802 -0.852 -7.792 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.119 0.431 -9.780 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.016 0.699 -8.409 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.222 1.937 -8.837 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.505 -0.056 -9.387 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.701 1.431 -8.428 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.144 -0.144 -7.728 1.00 0.00 H new