USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 675 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 0 THR N :NH3+ -116:sc= 0.0149 (180deg=-0.0165) USER MOD Single : A 0 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 150:sc= -0.661 (180deg=-1.17) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= 0.523 F(o=0,f=0.52) USER MOD Single : A 18 LYS NZ :NH3+ -172:sc=-0.00092 (180deg=-0.0819) USER MOD Single : A 19 SER OG : rot -13:sc= -0.142 USER MOD Single : A 21 TYR OH : rot 99:sc= 0.00573 USER MOD Single : A 29 THR OG1 : rot 108:sc= 1.21 USER MOD Single : A 36 SER OG : rot 90:sc= 0.665 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.0409 USER MOD Single : A 55 LYS NZ :NH3+ 151:sc= 0.264 (180deg=-0.144) USER MOD Single : A 57 HIS : no HD1:sc=-0.00127 X(o=-0.0013,f=0) USER MOD Single : A 59 ASN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -125:sc= 1.13 (180deg=-0.186) USER MOD Single : A 63 ASN : amide:sc=-0.00754 X(o=-0.0075,f=-0.16) USER MOD Single : A 69 HIS :FLIP no HD1:sc= -0.238 F(o=-1.7,f=-0.24) USER MOD Single : A 73 MET CE :methyl -121:sc= -0.46 (180deg=-2.23) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -140:sc= -0.355 USER MOD ----------------------------------------------------------------- ATOM 180 N THR A 0 3.631 -7.263 -13.410 1.00 0.00 N ATOM 181 CA THR A 0 3.986 -5.864 -13.660 1.00 0.00 C ATOM 182 C THR A 0 5.501 -5.708 -13.832 1.00 0.00 C ATOM 183 O THR A 0 6.289 -6.404 -13.186 1.00 0.00 O ATOM 184 CB THR A 0 3.505 -4.924 -12.499 1.00 0.00 C ATOM 185 OG1 THR A 0 4.040 -5.350 -11.241 1.00 0.00 O ATOM 186 CG2 THR A 0 1.975 -4.843 -12.403 1.00 0.00 C ATOM 0 H1 THR A 0 3.047 -7.618 -14.194 1.00 0.00 H new ATOM 0 H2 THR A 0 4.498 -7.833 -13.337 1.00 0.00 H new ATOM 0 H3 THR A 0 3.096 -7.332 -12.521 1.00 0.00 H new ATOM 0 HA THR A 0 3.480 -5.571 -14.580 1.00 0.00 H new ATOM 0 HB THR A 0 3.879 -3.928 -12.737 1.00 0.00 H new ATOM 0 HG1 THR A 0 3.728 -4.749 -10.533 1.00 0.00 H new ATOM 0 HG21 THR A 0 1.696 -4.180 -11.584 1.00 0.00 H new ATOM 0 HG22 THR A 0 1.572 -4.454 -13.338 1.00 0.00 H new ATOM 0 HG23 THR A 0 1.569 -5.838 -12.219 1.00 0.00 H new ATOM 194 N MET A 1 5.889 -4.770 -14.707 1.00 0.00 N ATOM 195 CA MET A 1 7.288 -4.383 -14.923 1.00 0.00 C ATOM 196 C MET A 1 7.402 -2.849 -14.915 1.00 0.00 C ATOM 197 O MET A 1 6.481 -2.148 -15.359 1.00 0.00 O ATOM 198 CB MET A 1 7.820 -4.984 -16.244 1.00 0.00 C ATOM 199 CG MET A 1 7.181 -4.455 -17.528 1.00 0.00 C ATOM 200 SD MET A 1 7.859 -5.252 -18.992 1.00 0.00 S ATOM 201 CE MET A 1 7.140 -4.246 -20.280 1.00 0.00 C ATOM 0 H MET A 1 5.232 -4.253 -15.291 1.00 0.00 H new ATOM 0 HA MET A 1 7.903 -4.779 -14.115 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.894 -4.803 -16.295 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.680 -6.064 -16.211 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.104 -4.618 -17.492 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.338 -3.378 -17.595 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.809 -4.223 -21.140 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.180 -4.668 -20.578 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.991 -3.232 -19.909 1.00 0.00 H new ATOM 211 N GLU A 2 8.530 -2.338 -14.389 1.00 0.00 N ATOM 212 CA GLU A 2 8.722 -0.897 -14.148 1.00 0.00 C ATOM 213 C GLU A 2 9.713 -0.306 -15.172 1.00 0.00 C ATOM 214 O GLU A 2 10.892 -0.652 -15.167 1.00 0.00 O ATOM 215 CB GLU A 2 9.224 -0.682 -12.696 1.00 0.00 C ATOM 216 CG GLU A 2 9.114 0.768 -12.192 1.00 0.00 C ATOM 217 CD GLU A 2 9.732 0.956 -10.796 1.00 0.00 C ATOM 218 OE1 GLU A 2 9.050 0.685 -9.785 1.00 0.00 O ATOM 219 OE2 GLU A 2 10.923 1.335 -10.705 1.00 0.00 O ATOM 0 H GLU A 2 9.331 -2.910 -14.120 1.00 0.00 H new ATOM 0 HA GLU A 2 7.771 -0.378 -14.272 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.655 -1.330 -12.029 1.00 0.00 H new ATOM 0 HB3 GLU A 2 10.266 -0.997 -12.635 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.611 1.433 -12.898 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.064 1.060 -12.163 1.00 0.00 H new ATOM 226 N LEU A 3 9.217 0.579 -16.050 1.00 0.00 N ATOM 227 CA LEU A 3 10.000 1.170 -17.154 1.00 0.00 C ATOM 228 C LEU A 3 10.390 2.626 -16.837 1.00 0.00 C ATOM 229 O LEU A 3 9.595 3.361 -16.249 1.00 0.00 O ATOM 230 CB LEU A 3 9.163 1.127 -18.457 1.00 0.00 C ATOM 231 CG LEU A 3 8.449 -0.220 -18.774 1.00 0.00 C ATOM 232 CD1 LEU A 3 7.537 -0.081 -20.003 1.00 0.00 C ATOM 233 CD2 LEU A 3 9.466 -1.359 -18.966 1.00 0.00 C ATOM 0 H LEU A 3 8.253 0.910 -16.016 1.00 0.00 H new ATOM 0 HA LEU A 3 10.915 0.591 -17.280 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.407 1.911 -18.404 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.818 1.372 -19.293 1.00 0.00 H new ATOM 0 HG LEU A 3 7.825 -0.476 -17.918 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.050 -1.035 -20.204 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.780 0.680 -19.810 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.133 0.211 -20.867 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.937 -2.286 -19.186 1.00 0.00 H new ATOM 0 HD22 LEU A 3 10.132 -1.116 -19.794 1.00 0.00 H new ATOM 0 HD23 LEU A 3 10.050 -1.482 -18.054 1.00 0.00 H new ATOM 245 N GLU A 4 11.602 3.050 -17.251 1.00 0.00 N ATOM 246 CA GLU A 4 12.069 4.442 -17.057 1.00 0.00 C ATOM 247 C GLU A 4 11.660 5.312 -18.262 1.00 0.00 C ATOM 248 O GLU A 4 12.303 5.269 -19.314 1.00 0.00 O ATOM 249 CB GLU A 4 13.605 4.486 -16.854 1.00 0.00 C ATOM 250 CG GLU A 4 14.183 5.903 -16.615 1.00 0.00 C ATOM 251 CD GLU A 4 15.720 5.933 -16.581 1.00 0.00 C ATOM 252 OE1 GLU A 4 16.307 5.668 -15.508 1.00 0.00 O ATOM 253 OE2 GLU A 4 16.347 6.205 -17.633 1.00 0.00 O ATOM 0 H GLU A 4 12.277 2.448 -17.723 1.00 0.00 H new ATOM 0 HA GLU A 4 11.598 4.841 -16.159 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.864 3.854 -16.005 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.087 4.054 -17.731 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.830 6.570 -17.402 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.798 6.291 -15.672 1.00 0.00 H new ATOM 260 N LEU A 5 10.588 6.103 -18.107 1.00 0.00 N ATOM 261 CA LEU A 5 10.053 6.913 -19.211 1.00 0.00 C ATOM 262 C LEU A 5 10.644 8.318 -19.172 1.00 0.00 C ATOM 263 O LEU A 5 10.297 9.135 -18.315 1.00 0.00 O ATOM 264 CB LEU A 5 8.518 6.970 -19.169 1.00 0.00 C ATOM 265 CG LEU A 5 7.786 5.605 -19.089 1.00 0.00 C ATOM 266 CD1 LEU A 5 6.274 5.823 -19.194 1.00 0.00 C ATOM 267 CD2 LEU A 5 8.289 4.598 -20.153 1.00 0.00 C ATOM 0 H LEU A 5 10.076 6.199 -17.230 1.00 0.00 H new ATOM 0 HA LEU A 5 10.342 6.438 -20.149 1.00 0.00 H new ATOM 0 HB2 LEU A 5 8.220 7.570 -18.309 1.00 0.00 H new ATOM 0 HB3 LEU A 5 8.170 7.494 -20.059 1.00 0.00 H new ATOM 0 HG LEU A 5 8.015 5.159 -18.121 1.00 0.00 H new ATOM 0 HD11 LEU A 5 5.763 4.862 -19.137 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.940 6.460 -18.375 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.041 6.303 -20.145 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.744 3.660 -20.052 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.124 5.009 -21.149 1.00 0.00 H new ATOM 0 HD23 LEU A 5 9.354 4.416 -20.007 1.00 0.00 H new ATOM 279 N ARG A 6 11.564 8.564 -20.100 1.00 0.00 N ATOM 280 CA ARG A 6 12.227 9.852 -20.250 1.00 0.00 C ATOM 281 C ARG A 6 11.445 10.722 -21.247 1.00 0.00 C ATOM 282 O ARG A 6 11.184 10.298 -22.364 1.00 0.00 O ATOM 283 CB ARG A 6 13.689 9.644 -20.714 1.00 0.00 C ATOM 284 CG ARG A 6 14.524 8.711 -19.815 1.00 0.00 C ATOM 285 CD ARG A 6 15.996 8.628 -20.253 1.00 0.00 C ATOM 286 NE ARG A 6 16.679 9.936 -20.171 1.00 0.00 N ATOM 287 CZ ARG A 6 18.001 10.130 -20.301 1.00 0.00 C ATOM 288 NH1 ARG A 6 18.819 9.111 -20.537 1.00 0.00 N ATOM 289 NH2 ARG A 6 18.502 11.353 -20.196 1.00 0.00 N ATOM 0 H ARG A 6 11.873 7.865 -20.776 1.00 0.00 H new ATOM 0 HA ARG A 6 12.249 10.366 -19.289 1.00 0.00 H new ATOM 0 HB2 ARG A 6 13.680 9.239 -21.726 1.00 0.00 H new ATOM 0 HB3 ARG A 6 14.182 10.615 -20.763 1.00 0.00 H new ATOM 0 HG2 ARG A 6 14.475 9.065 -18.785 1.00 0.00 H new ATOM 0 HG3 ARG A 6 14.088 7.712 -19.830 1.00 0.00 H new ATOM 0 HD2 ARG A 6 16.520 7.907 -19.625 1.00 0.00 H new ATOM 0 HD3 ARG A 6 16.048 8.257 -21.276 1.00 0.00 H new ATOM 0 HE ARG A 6 16.099 10.758 -20.002 1.00 0.00 H new ATOM 0 HH11 ARG A 6 18.445 8.166 -20.622 1.00 0.00 H new ATOM 0 HH12 ARG A 6 19.821 9.273 -20.633 1.00 0.00 H new ATOM 0 HH21 ARG A 6 17.883 12.144 -20.017 1.00 0.00 H new ATOM 0 HH22 ARG A 6 19.506 11.503 -20.294 1.00 0.00 H new ATOM 303 N PHE A 7 11.043 11.923 -20.815 1.00 0.00 N ATOM 304 CA PHE A 7 10.301 12.890 -21.657 1.00 0.00 C ATOM 305 C PHE A 7 11.186 14.093 -21.925 1.00 0.00 C ATOM 306 O PHE A 7 11.890 14.559 -21.022 1.00 0.00 O ATOM 307 CB PHE A 7 8.988 13.333 -20.968 1.00 0.00 C ATOM 308 CG PHE A 7 8.027 12.182 -20.706 1.00 0.00 C ATOM 309 CD1 PHE A 7 8.116 11.436 -19.538 1.00 0.00 C ATOM 310 CD2 PHE A 7 7.056 11.829 -21.640 1.00 0.00 C ATOM 311 CE1 PHE A 7 7.266 10.377 -19.312 1.00 0.00 C ATOM 312 CE2 PHE A 7 6.207 10.762 -21.414 1.00 0.00 C ATOM 313 CZ PHE A 7 6.314 10.038 -20.248 1.00 0.00 C ATOM 0 H PHE A 7 11.220 12.260 -19.869 1.00 0.00 H new ATOM 0 HA PHE A 7 10.036 12.410 -22.599 1.00 0.00 H new ATOM 0 HB2 PHE A 7 9.228 13.819 -20.022 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.492 14.077 -21.591 1.00 0.00 H new ATOM 0 HD1 PHE A 7 8.861 11.690 -18.798 1.00 0.00 H new ATOM 0 HD2 PHE A 7 6.965 12.397 -22.554 1.00 0.00 H new ATOM 0 HE1 PHE A 7 7.346 9.809 -18.397 1.00 0.00 H new ATOM 0 HE2 PHE A 7 5.462 10.497 -22.150 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.652 9.204 -20.067 1.00 0.00 H new ATOM 323 N PHE A 8 11.173 14.582 -23.172 1.00 0.00 N ATOM 324 CA PHE A 8 12.006 15.727 -23.593 1.00 0.00 C ATOM 325 C PHE A 8 11.164 16.744 -24.374 1.00 0.00 C ATOM 326 O PHE A 8 10.054 16.433 -24.819 1.00 0.00 O ATOM 327 CB PHE A 8 13.225 15.231 -24.411 1.00 0.00 C ATOM 328 CG PHE A 8 14.074 14.208 -23.645 1.00 0.00 C ATOM 329 CD1 PHE A 8 14.865 14.600 -22.567 1.00 0.00 C ATOM 330 CD2 PHE A 8 14.042 12.856 -23.975 1.00 0.00 C ATOM 331 CE1 PHE A 8 15.590 13.674 -21.844 1.00 0.00 C ATOM 332 CE2 PHE A 8 14.773 11.934 -23.264 1.00 0.00 C ATOM 333 CZ PHE A 8 15.553 12.342 -22.198 1.00 0.00 C ATOM 0 H PHE A 8 10.590 14.201 -23.917 1.00 0.00 H new ATOM 0 HA PHE A 8 12.390 16.235 -22.708 1.00 0.00 H new ATOM 0 HB2 PHE A 8 12.875 14.783 -25.341 1.00 0.00 H new ATOM 0 HB3 PHE A 8 13.847 16.084 -24.682 1.00 0.00 H new ATOM 0 HD1 PHE A 8 14.912 15.644 -22.293 1.00 0.00 H new ATOM 0 HD2 PHE A 8 13.433 12.526 -24.803 1.00 0.00 H new ATOM 0 HE1 PHE A 8 16.186 13.993 -21.002 1.00 0.00 H new ATOM 0 HE2 PHE A 8 14.738 10.890 -23.538 1.00 0.00 H new ATOM 0 HZ PHE A 8 16.132 11.619 -21.644 1.00 0.00 H new ATOM 343 N ALA A 9 11.698 17.975 -24.458 1.00 0.00 N ATOM 344 CA ALA A 9 11.079 19.111 -25.168 1.00 0.00 C ATOM 345 C ALA A 9 9.636 19.416 -24.648 1.00 0.00 C ATOM 346 O ALA A 9 9.453 19.583 -23.438 1.00 0.00 O ATOM 347 CB ALA A 9 11.154 18.890 -26.684 1.00 0.00 C ATOM 0 H ALA A 9 12.590 18.214 -24.026 1.00 0.00 H new ATOM 0 HA ALA A 9 11.649 20.014 -24.949 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.694 19.734 -27.198 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.197 18.804 -26.988 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.624 17.974 -26.945 1.00 0.00 H new ATOM 353 N THR A 10 8.630 19.502 -25.555 1.00 0.00 N ATOM 354 CA THR A 10 7.219 19.766 -25.196 1.00 0.00 C ATOM 355 C THR A 10 6.662 18.684 -24.248 1.00 0.00 C ATOM 356 O THR A 10 6.109 19.003 -23.194 1.00 0.00 O ATOM 357 CB THR A 10 6.334 19.834 -26.478 1.00 0.00 C ATOM 358 OG1 THR A 10 6.892 20.781 -27.401 1.00 0.00 O ATOM 359 CG2 THR A 10 4.874 20.207 -26.169 1.00 0.00 C ATOM 0 H THR A 10 8.778 19.389 -26.558 1.00 0.00 H new ATOM 0 HA THR A 10 7.190 20.725 -24.679 1.00 0.00 H new ATOM 0 HB THR A 10 6.326 18.837 -26.919 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.335 20.820 -28.206 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.303 20.240 -27.097 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.441 19.461 -25.503 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.842 21.185 -25.688 1.00 0.00 H new ATOM 367 N PHE A 11 6.858 17.401 -24.624 1.00 0.00 N ATOM 368 CA PHE A 11 6.335 16.246 -23.854 1.00 0.00 C ATOM 369 C PHE A 11 6.898 16.228 -22.414 1.00 0.00 C ATOM 370 O PHE A 11 6.280 15.662 -21.503 1.00 0.00 O ATOM 371 CB PHE A 11 6.664 14.901 -24.582 1.00 0.00 C ATOM 372 CG PHE A 11 5.905 14.611 -25.893 1.00 0.00 C ATOM 373 CD1 PHE A 11 4.988 15.513 -26.445 1.00 0.00 C ATOM 374 CD2 PHE A 11 6.112 13.400 -26.566 1.00 0.00 C ATOM 375 CE1 PHE A 11 4.305 15.207 -27.614 1.00 0.00 C ATOM 376 CE2 PHE A 11 5.430 13.104 -27.735 1.00 0.00 C ATOM 377 CZ PHE A 11 4.532 14.006 -28.256 1.00 0.00 C ATOM 0 H PHE A 11 7.378 17.136 -25.461 1.00 0.00 H new ATOM 0 HA PHE A 11 5.252 16.354 -23.792 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.732 14.885 -24.798 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.467 14.083 -23.889 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.810 16.459 -25.955 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.816 12.685 -26.167 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.594 15.910 -28.022 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.604 12.164 -28.238 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.003 13.774 -29.169 1.00 0.00 H new ATOM 387 N ARG A 12 8.071 16.866 -22.226 1.00 0.00 N ATOM 388 CA ARG A 12 8.725 16.961 -20.912 1.00 0.00 C ATOM 389 C ARG A 12 7.927 17.859 -19.962 1.00 0.00 C ATOM 390 O ARG A 12 7.627 17.457 -18.838 1.00 0.00 O ATOM 391 CB ARG A 12 10.164 17.499 -21.042 1.00 0.00 C ATOM 392 CG ARG A 12 10.975 17.471 -19.730 1.00 0.00 C ATOM 393 CD ARG A 12 12.358 18.125 -19.854 1.00 0.00 C ATOM 394 NE ARG A 12 12.259 19.580 -20.088 1.00 0.00 N ATOM 395 CZ ARG A 12 12.688 20.535 -19.243 1.00 0.00 C ATOM 396 NH1 ARG A 12 13.257 20.221 -18.085 1.00 0.00 N ATOM 397 NH2 ARG A 12 12.525 21.807 -19.560 1.00 0.00 N ATOM 0 H ARG A 12 8.586 17.326 -22.977 1.00 0.00 H new ATOM 0 HA ARG A 12 8.762 15.953 -20.498 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.692 16.912 -21.794 1.00 0.00 H new ATOM 0 HB3 ARG A 12 10.124 18.525 -21.408 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.409 17.981 -18.951 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.098 16.436 -19.410 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.929 17.941 -18.944 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.907 17.662 -20.674 1.00 0.00 H new ATOM 0 HE ARG A 12 11.830 19.886 -20.962 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.375 19.242 -17.824 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.576 20.959 -17.457 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.076 22.060 -20.440 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.848 22.536 -18.924 1.00 0.00 H new ATOM 411 N GLU A 13 7.583 19.080 -20.426 1.00 0.00 N ATOM 412 CA GLU A 13 6.907 20.092 -19.581 1.00 0.00 C ATOM 413 C GLU A 13 5.432 19.722 -19.339 1.00 0.00 C ATOM 414 O GLU A 13 4.822 20.192 -18.371 1.00 0.00 O ATOM 415 CB GLU A 13 7.075 21.532 -20.160 1.00 0.00 C ATOM 416 CG GLU A 13 6.531 21.789 -21.596 1.00 0.00 C ATOM 417 CD GLU A 13 4.995 21.936 -21.704 1.00 0.00 C ATOM 418 OE1 GLU A 13 4.392 22.650 -20.868 1.00 0.00 O ATOM 419 OE2 GLU A 13 4.391 21.369 -22.638 1.00 0.00 O ATOM 0 H GLU A 13 7.762 19.390 -21.381 1.00 0.00 H new ATOM 0 HA GLU A 13 7.396 20.093 -18.607 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.582 22.228 -19.482 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.137 21.778 -20.152 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.995 22.695 -21.986 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.847 20.968 -22.239 1.00 0.00 H new ATOM 426 N VAL A 14 4.874 18.882 -20.230 1.00 0.00 N ATOM 427 CA VAL A 14 3.548 18.264 -20.045 1.00 0.00 C ATOM 428 C VAL A 14 3.545 17.386 -18.774 1.00 0.00 C ATOM 429 O VAL A 14 2.729 17.576 -17.863 1.00 0.00 O ATOM 430 CB VAL A 14 3.142 17.391 -21.291 1.00 0.00 C ATOM 431 CG1 VAL A 14 1.852 16.595 -21.018 1.00 0.00 C ATOM 432 CG2 VAL A 14 2.998 18.255 -22.565 1.00 0.00 C ATOM 0 H VAL A 14 5.331 18.612 -21.101 1.00 0.00 H new ATOM 0 HA VAL A 14 2.819 19.067 -19.938 1.00 0.00 H new ATOM 0 HB VAL A 14 3.947 16.677 -21.464 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.597 16.002 -21.897 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.006 15.933 -20.166 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.038 17.286 -20.798 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.717 17.620 -23.405 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.228 19.010 -22.407 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.947 18.745 -22.782 1.00 0.00 H new ATOM 442 N VAL A 15 4.498 16.445 -18.733 1.00 0.00 N ATOM 443 CA VAL A 15 4.662 15.490 -17.624 1.00 0.00 C ATOM 444 C VAL A 15 5.353 16.167 -16.416 1.00 0.00 C ATOM 445 O VAL A 15 5.276 15.675 -15.282 1.00 0.00 O ATOM 446 CB VAL A 15 5.458 14.219 -18.135 1.00 0.00 C ATOM 447 CG1 VAL A 15 5.679 13.154 -17.028 1.00 0.00 C ATOM 448 CG2 VAL A 15 4.722 13.594 -19.350 1.00 0.00 C ATOM 0 H VAL A 15 5.185 16.323 -19.476 1.00 0.00 H new ATOM 0 HA VAL A 15 3.683 15.158 -17.279 1.00 0.00 H new ATOM 0 HB VAL A 15 6.449 14.560 -18.435 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.230 12.309 -17.441 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.249 13.593 -16.209 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.714 12.811 -16.655 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.272 12.720 -19.699 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.717 13.295 -19.052 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.659 14.327 -20.154 1.00 0.00 H new ATOM 458 N GLY A 16 5.990 17.331 -16.676 1.00 0.00 N ATOM 459 CA GLY A 16 6.777 18.064 -15.677 1.00 0.00 C ATOM 460 C GLY A 16 8.058 17.339 -15.275 1.00 0.00 C ATOM 461 O GLY A 16 8.728 17.733 -14.317 1.00 0.00 O ATOM 0 H GLY A 16 5.968 17.784 -17.590 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.032 19.047 -16.074 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.165 18.227 -14.790 1.00 0.00 H new ATOM 465 N GLN A 17 8.414 16.291 -16.038 1.00 0.00 N ATOM 466 CA GLN A 17 9.494 15.351 -15.694 1.00 0.00 C ATOM 467 C GLN A 17 10.296 14.993 -16.948 1.00 0.00 C ATOM 468 O GLN A 17 9.739 14.905 -18.051 1.00 0.00 O ATOM 469 CB GLN A 17 8.912 14.054 -15.066 1.00 0.00 C ATOM 470 CG GLN A 17 8.184 14.226 -13.717 1.00 0.00 C ATOM 471 CD GLN A 17 9.121 14.565 -12.553 1.00 0.00 C ATOM 472 OE1 GLN A 17 9.672 13.539 -11.914 1.00 0.00 O flip ATOM 473 NE2 GLN A 17 9.361 15.735 -12.244 1.00 0.00 N flip ATOM 0 H GLN A 17 7.954 16.071 -16.921 1.00 0.00 H new ATOM 0 HA GLN A 17 10.148 15.833 -14.967 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.217 13.609 -15.778 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.726 13.343 -14.929 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.439 15.015 -13.814 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.647 13.307 -13.484 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.920 16.499 -12.757 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.001 15.939 -11.476 1.00 0.00 H new ATOM 482 N LYS A 18 11.598 14.764 -16.750 1.00 0.00 N ATOM 483 CA LYS A 18 12.546 14.411 -17.823 1.00 0.00 C ATOM 484 C LYS A 18 12.896 12.912 -17.779 1.00 0.00 C ATOM 485 O LYS A 18 13.403 12.374 -18.761 1.00 0.00 O ATOM 486 CB LYS A 18 13.807 15.314 -17.732 1.00 0.00 C ATOM 487 CG LYS A 18 14.426 15.420 -16.324 1.00 0.00 C ATOM 488 CD LYS A 18 15.515 16.516 -16.231 1.00 0.00 C ATOM 489 CE LYS A 18 16.714 16.242 -17.152 1.00 0.00 C ATOM 490 NZ LYS A 18 17.390 14.961 -16.825 1.00 0.00 N ATOM 0 H LYS A 18 12.033 14.818 -15.829 1.00 0.00 H new ATOM 0 HA LYS A 18 12.076 14.592 -18.790 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.562 14.930 -18.418 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.545 16.315 -18.075 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.639 15.633 -15.601 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.860 14.459 -16.049 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.077 17.480 -16.489 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.863 16.590 -15.201 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.376 16.219 -18.188 1.00 0.00 H new ATOM 0 HE3 LYS A 18 17.429 17.060 -17.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 18.268 14.881 -17.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 17.615 14.937 -15.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.761 14.167 -17.059 1.00 0.00 H new ATOM 504 N SER A 19 12.650 12.263 -16.619 1.00 0.00 N ATOM 505 CA SER A 19 12.631 10.785 -16.484 1.00 0.00 C ATOM 506 C SER A 19 11.720 10.402 -15.304 1.00 0.00 C ATOM 507 O SER A 19 11.751 11.055 -14.249 1.00 0.00 O ATOM 508 CB SER A 19 14.038 10.162 -16.253 1.00 0.00 C ATOM 509 OG SER A 19 15.021 10.689 -17.133 1.00 0.00 O ATOM 0 H SER A 19 12.458 12.751 -15.744 1.00 0.00 H new ATOM 0 HA SER A 19 12.258 10.388 -17.428 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.345 10.340 -15.223 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.979 9.082 -16.386 1.00 0.00 H new ATOM 0 HG SER A 19 14.582 11.186 -17.854 1.00 0.00 H new ATOM 515 N ILE A 20 10.908 9.348 -15.483 1.00 0.00 N ATOM 516 CA ILE A 20 10.057 8.776 -14.420 1.00 0.00 C ATOM 517 C ILE A 20 10.198 7.254 -14.409 1.00 0.00 C ATOM 518 O ILE A 20 10.930 6.689 -15.215 1.00 0.00 O ATOM 519 CB ILE A 20 8.532 9.153 -14.591 1.00 0.00 C ATOM 520 CG1 ILE A 20 7.952 8.593 -15.923 1.00 0.00 C ATOM 521 CG2 ILE A 20 8.332 10.670 -14.507 1.00 0.00 C ATOM 522 CD1 ILE A 20 6.494 8.951 -16.180 1.00 0.00 C ATOM 0 H ILE A 20 10.821 8.863 -16.376 1.00 0.00 H new ATOM 0 HA ILE A 20 10.398 9.201 -13.476 1.00 0.00 H new ATOM 0 HB ILE A 20 7.985 8.689 -13.771 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.555 8.965 -16.751 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.051 7.507 -15.919 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.274 10.905 -14.628 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.675 11.029 -13.537 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.904 11.157 -15.297 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.175 8.519 -17.129 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.875 8.555 -15.375 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.387 10.035 -16.220 1.00 0.00 H new ATOM 534 N TYR A 21 9.499 6.610 -13.472 1.00 0.00 N ATOM 535 CA TYR A 21 9.352 5.157 -13.431 1.00 0.00 C ATOM 536 C TYR A 21 7.852 4.821 -13.403 1.00 0.00 C ATOM 537 O TYR A 21 7.147 5.127 -12.438 1.00 0.00 O ATOM 538 CB TYR A 21 10.109 4.559 -12.213 1.00 0.00 C ATOM 539 CG TYR A 21 11.601 4.287 -12.484 1.00 0.00 C ATOM 540 CD1 TYR A 21 11.976 3.240 -13.331 1.00 0.00 C ATOM 541 CD2 TYR A 21 12.622 5.038 -11.887 1.00 0.00 C ATOM 542 CE1 TYR A 21 13.298 2.958 -13.572 1.00 0.00 C ATOM 543 CE2 TYR A 21 13.952 4.742 -12.127 1.00 0.00 C ATOM 544 CZ TYR A 21 14.279 3.699 -12.967 1.00 0.00 C ATOM 545 OH TYR A 21 15.596 3.390 -13.199 1.00 0.00 O ATOM 0 H TYR A 21 9.015 7.089 -12.713 1.00 0.00 H new ATOM 0 HA TYR A 21 9.797 4.708 -14.319 1.00 0.00 H new ATOM 0 HB2 TYR A 21 10.021 5.244 -11.370 1.00 0.00 H new ATOM 0 HB3 TYR A 21 9.627 3.627 -11.918 1.00 0.00 H new ATOM 0 HD1 TYR A 21 11.212 2.642 -13.805 1.00 0.00 H new ATOM 0 HD2 TYR A 21 12.368 5.858 -11.232 1.00 0.00 H new ATOM 0 HE1 TYR A 21 13.565 2.152 -14.239 1.00 0.00 H new ATOM 0 HE2 TYR A 21 14.731 5.326 -11.658 1.00 0.00 H new ATOM 0 HH TYR A 21 15.959 3.994 -13.880 1.00 0.00 H new ATOM 555 N TRP A 22 7.396 4.211 -14.496 1.00 0.00 N ATOM 556 CA TRP A 22 5.998 3.822 -14.719 1.00 0.00 C ATOM 557 C TRP A 22 5.885 2.316 -14.562 1.00 0.00 C ATOM 558 O TRP A 22 6.679 1.574 -15.147 1.00 0.00 O ATOM 559 CB TRP A 22 5.550 4.237 -16.157 1.00 0.00 C ATOM 560 CG TRP A 22 4.398 5.216 -16.228 1.00 0.00 C ATOM 561 CD1 TRP A 22 4.283 6.416 -15.591 1.00 0.00 C ATOM 562 CD2 TRP A 22 3.214 5.070 -17.017 1.00 0.00 C ATOM 563 NE1 TRP A 22 3.111 7.031 -15.956 1.00 0.00 N ATOM 564 CE2 TRP A 22 2.433 6.220 -16.824 1.00 0.00 C ATOM 565 CE3 TRP A 22 2.743 4.070 -17.866 1.00 0.00 C ATOM 566 CZ2 TRP A 22 1.213 6.406 -17.470 1.00 0.00 C ATOM 567 CZ3 TRP A 22 1.533 4.249 -18.495 1.00 0.00 C ATOM 568 CH2 TRP A 22 0.779 5.410 -18.292 1.00 0.00 C ATOM 0 H TRP A 22 8.005 3.965 -15.276 1.00 0.00 H new ATOM 0 HA TRP A 22 5.355 4.324 -13.996 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.406 4.673 -16.673 1.00 0.00 H new ATOM 0 HB3 TRP A 22 5.272 3.337 -16.705 1.00 0.00 H new ATOM 0 HD1 TRP A 22 5.007 6.823 -14.901 1.00 0.00 H new ATOM 0 HE1 TRP A 22 2.796 7.946 -15.632 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.318 3.170 -18.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 0.633 7.306 -17.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.159 3.481 -19.156 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.169 5.519 -18.798 1.00 0.00 H new ATOM 579 N ARG A 23 4.894 1.872 -13.809 1.00 0.00 N ATOM 580 CA ARG A 23 4.597 0.457 -13.675 1.00 0.00 C ATOM 581 C ARG A 23 3.469 0.103 -14.658 1.00 0.00 C ATOM 582 O ARG A 23 2.346 0.592 -14.530 1.00 0.00 O ATOM 583 CB ARG A 23 4.188 0.118 -12.228 1.00 0.00 C ATOM 584 CG ARG A 23 4.209 -1.392 -11.903 1.00 0.00 C ATOM 585 CD ARG A 23 5.634 -1.957 -11.746 1.00 0.00 C ATOM 586 NE ARG A 23 6.370 -1.329 -10.629 1.00 0.00 N ATOM 587 CZ ARG A 23 6.497 -1.836 -9.390 1.00 0.00 C ATOM 588 NH1 ARG A 23 5.933 -2.995 -9.050 1.00 0.00 N ATOM 589 NH2 ARG A 23 7.200 -1.175 -8.494 1.00 0.00 N ATOM 0 H ARG A 23 4.274 2.481 -13.275 1.00 0.00 H new ATOM 0 HA ARG A 23 5.486 -0.130 -13.907 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.858 0.636 -11.542 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.185 0.504 -12.046 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.652 -1.567 -10.983 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.694 -1.935 -12.696 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.579 -3.033 -11.582 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.187 -1.804 -12.673 1.00 0.00 H new ATOM 0 HE ARG A 23 6.821 -0.433 -10.814 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.390 -3.519 -9.737 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.044 -3.358 -8.103 1.00 0.00 H new ATOM 0 HH21 ARG A 23 7.640 -0.289 -8.743 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.304 -1.549 -7.551 1.00 0.00 H new ATOM 603 N VAL A 24 3.808 -0.700 -15.660 1.00 0.00 N ATOM 604 CA VAL A 24 2.848 -1.293 -16.609 1.00 0.00 C ATOM 605 C VAL A 24 2.842 -2.809 -16.387 1.00 0.00 C ATOM 606 O VAL A 24 3.530 -3.293 -15.489 1.00 0.00 O ATOM 607 CB VAL A 24 3.230 -0.962 -18.099 1.00 0.00 C ATOM 608 CG1 VAL A 24 3.063 0.542 -18.416 1.00 0.00 C ATOM 609 CG2 VAL A 24 4.666 -1.436 -18.423 1.00 0.00 C ATOM 0 H VAL A 24 4.774 -0.968 -15.847 1.00 0.00 H new ATOM 0 HA VAL A 24 1.858 -0.874 -16.433 1.00 0.00 H new ATOM 0 HB VAL A 24 2.537 -1.509 -18.738 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.337 0.728 -19.455 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.025 0.834 -18.257 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.709 1.126 -17.760 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.904 -1.195 -19.459 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.373 -0.934 -17.762 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.735 -2.514 -18.277 1.00 0.00 H new ATOM 619 N ASP A 25 2.043 -3.554 -17.159 1.00 0.00 N ATOM 620 CA ASP A 25 2.064 -5.028 -17.104 1.00 0.00 C ATOM 621 C ASP A 25 3.266 -5.582 -17.895 1.00 0.00 C ATOM 622 O ASP A 25 3.912 -4.853 -18.659 1.00 0.00 O ATOM 623 CB ASP A 25 0.731 -5.632 -17.616 1.00 0.00 C ATOM 624 CG ASP A 25 0.484 -5.423 -19.118 1.00 0.00 C ATOM 625 OD1 ASP A 25 0.231 -4.276 -19.531 1.00 0.00 O ATOM 626 OD2 ASP A 25 0.534 -6.407 -19.877 1.00 0.00 O ATOM 0 H ASP A 25 1.376 -3.168 -17.827 1.00 0.00 H new ATOM 0 HA ASP A 25 2.176 -5.325 -16.061 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.723 -6.701 -17.403 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.094 -5.189 -17.058 1.00 0.00 H new ATOM 631 N ASP A 26 3.560 -6.873 -17.688 1.00 0.00 N ATOM 632 CA ASP A 26 4.703 -7.561 -18.316 1.00 0.00 C ATOM 633 C ASP A 26 4.565 -7.648 -19.857 1.00 0.00 C ATOM 634 O ASP A 26 5.567 -7.596 -20.570 1.00 0.00 O ATOM 635 CB ASP A 26 4.852 -8.971 -17.685 1.00 0.00 C ATOM 636 CG ASP A 26 5.822 -9.909 -18.430 1.00 0.00 C ATOM 637 OD1 ASP A 26 7.050 -9.707 -18.332 1.00 0.00 O ATOM 638 OD2 ASP A 26 5.350 -10.841 -19.131 1.00 0.00 O ATOM 0 H ASP A 26 3.009 -7.476 -17.076 1.00 0.00 H new ATOM 0 HA ASP A 26 5.604 -6.977 -18.126 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.194 -8.860 -16.656 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.870 -9.442 -17.646 1.00 0.00 H new ATOM 643 N ASP A 27 3.314 -7.740 -20.358 1.00 0.00 N ATOM 644 CA ASP A 27 3.036 -7.899 -21.815 1.00 0.00 C ATOM 645 C ASP A 27 3.113 -6.537 -22.541 1.00 0.00 C ATOM 646 O ASP A 27 3.250 -6.486 -23.768 1.00 0.00 O ATOM 647 CB ASP A 27 1.637 -8.563 -22.017 1.00 0.00 C ATOM 648 CG ASP A 27 1.178 -8.647 -23.494 1.00 0.00 C ATOM 649 OD1 ASP A 27 1.698 -9.507 -24.240 1.00 0.00 O ATOM 650 OD2 ASP A 27 0.302 -7.847 -23.921 1.00 0.00 O ATOM 0 H ASP A 27 2.475 -7.708 -19.779 1.00 0.00 H new ATOM 0 HA ASP A 27 3.796 -8.548 -22.250 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.662 -9.569 -21.599 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.896 -8.000 -21.450 1.00 0.00 H new ATOM 655 N ALA A 28 3.048 -5.436 -21.766 1.00 0.00 N ATOM 656 CA ALA A 28 3.099 -4.057 -22.294 1.00 0.00 C ATOM 657 C ALA A 28 4.397 -3.780 -23.069 1.00 0.00 C ATOM 658 O ALA A 28 5.448 -4.349 -22.778 1.00 0.00 O ATOM 659 CB ALA A 28 2.940 -3.041 -21.164 1.00 0.00 C ATOM 0 H ALA A 28 2.958 -5.478 -20.751 1.00 0.00 H new ATOM 0 HA ALA A 28 2.268 -3.953 -22.992 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.980 -2.032 -21.574 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.981 -3.194 -20.670 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.745 -3.172 -20.441 1.00 0.00 H new ATOM 665 N THR A 29 4.292 -2.933 -24.094 1.00 0.00 N ATOM 666 CA THR A 29 5.433 -2.470 -24.896 1.00 0.00 C ATOM 667 C THR A 29 5.331 -0.938 -25.084 1.00 0.00 C ATOM 668 O THR A 29 4.452 -0.317 -24.488 1.00 0.00 O ATOM 669 CB THR A 29 5.487 -3.194 -26.278 1.00 0.00 C ATOM 670 OG1 THR A 29 4.286 -2.932 -27.010 1.00 0.00 O ATOM 671 CG2 THR A 29 5.657 -4.717 -26.159 1.00 0.00 C ATOM 0 H THR A 29 3.400 -2.542 -24.397 1.00 0.00 H new ATOM 0 HA THR A 29 6.356 -2.712 -24.369 1.00 0.00 H new ATOM 0 HB THR A 29 6.362 -2.800 -26.795 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.480 -2.315 -27.746 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.687 -5.159 -27.155 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.587 -4.940 -25.635 1.00 0.00 H new ATOM 0 HG23 THR A 29 4.818 -5.134 -25.602 1.00 0.00 H new ATOM 679 N VAL A 30 6.241 -0.334 -25.897 1.00 0.00 N ATOM 680 CA VAL A 30 6.328 1.145 -26.087 1.00 0.00 C ATOM 681 C VAL A 30 4.956 1.748 -26.474 1.00 0.00 C ATOM 682 O VAL A 30 4.555 2.784 -25.942 1.00 0.00 O ATOM 683 CB VAL A 30 7.401 1.535 -27.180 1.00 0.00 C ATOM 684 CG1 VAL A 30 7.464 3.071 -27.421 1.00 0.00 C ATOM 685 CG2 VAL A 30 8.801 0.991 -26.814 1.00 0.00 C ATOM 0 H VAL A 30 6.932 -0.854 -26.437 1.00 0.00 H new ATOM 0 HA VAL A 30 6.641 1.561 -25.129 1.00 0.00 H new ATOM 0 HB VAL A 30 7.079 1.068 -28.111 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.215 3.290 -28.180 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.491 3.426 -27.761 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.730 3.575 -26.492 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.516 1.277 -27.586 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.115 1.408 -25.857 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.761 -0.096 -26.741 1.00 0.00 H new ATOM 695 N GLY A 31 4.244 1.047 -27.368 1.00 0.00 N ATOM 696 CA GLY A 31 2.916 1.456 -27.835 1.00 0.00 C ATOM 697 C GLY A 31 1.852 1.418 -26.742 1.00 0.00 C ATOM 698 O GLY A 31 0.998 2.308 -26.669 1.00 0.00 O ATOM 0 H GLY A 31 4.576 0.178 -27.787 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.976 2.467 -28.238 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.610 0.804 -28.653 1.00 0.00 H new ATOM 702 N ASP A 32 1.913 0.379 -25.886 1.00 0.00 N ATOM 703 CA ASP A 32 0.979 0.217 -24.750 1.00 0.00 C ATOM 704 C ASP A 32 1.223 1.308 -23.694 1.00 0.00 C ATOM 705 O ASP A 32 0.293 1.776 -23.029 1.00 0.00 O ATOM 706 CB ASP A 32 1.126 -1.180 -24.105 1.00 0.00 C ATOM 707 CG ASP A 32 0.008 -1.485 -23.095 1.00 0.00 C ATOM 708 OD1 ASP A 32 0.155 -1.172 -21.893 1.00 0.00 O ATOM 709 OD2 ASP A 32 -1.052 -1.987 -23.518 1.00 0.00 O ATOM 0 H ASP A 32 2.605 -0.367 -25.960 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.036 0.314 -25.135 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.121 -1.939 -24.887 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.092 -1.245 -23.603 1.00 0.00 H new ATOM 714 N VAL A 33 2.492 1.683 -23.554 1.00 0.00 N ATOM 715 CA VAL A 33 2.934 2.759 -22.676 1.00 0.00 C ATOM 716 C VAL A 33 2.312 4.094 -23.116 1.00 0.00 C ATOM 717 O VAL A 33 1.573 4.711 -22.345 1.00 0.00 O ATOM 718 CB VAL A 33 4.511 2.812 -22.669 1.00 0.00 C ATOM 719 CG1 VAL A 33 5.062 4.099 -22.037 1.00 0.00 C ATOM 720 CG2 VAL A 33 5.083 1.569 -21.955 1.00 0.00 C ATOM 0 H VAL A 33 3.257 1.236 -24.060 1.00 0.00 H new ATOM 0 HA VAL A 33 2.598 2.570 -21.656 1.00 0.00 H new ATOM 0 HB VAL A 33 4.834 2.813 -23.710 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.152 4.078 -22.061 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.703 4.962 -22.598 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.723 4.171 -21.004 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.172 1.617 -21.957 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.723 1.542 -20.927 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.759 0.668 -22.477 1.00 0.00 H new ATOM 730 N LEU A 34 2.557 4.497 -24.377 1.00 0.00 N ATOM 731 CA LEU A 34 2.150 5.823 -24.877 1.00 0.00 C ATOM 732 C LEU A 34 0.611 5.961 -25.038 1.00 0.00 C ATOM 733 O LEU A 34 0.077 7.059 -24.832 1.00 0.00 O ATOM 734 CB LEU A 34 2.978 6.247 -26.141 1.00 0.00 C ATOM 735 CG LEU A 34 3.137 5.236 -27.325 1.00 0.00 C ATOM 736 CD1 LEU A 34 1.879 5.139 -28.202 1.00 0.00 C ATOM 737 CD2 LEU A 34 4.379 5.587 -28.180 1.00 0.00 C ATOM 0 H LEU A 34 3.036 3.921 -25.069 1.00 0.00 H new ATOM 0 HA LEU A 34 2.403 6.553 -24.108 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.523 7.153 -26.542 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.979 6.516 -25.803 1.00 0.00 H new ATOM 0 HG LEU A 34 3.281 4.252 -26.879 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.050 4.423 -29.006 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.037 4.808 -27.595 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.657 6.117 -28.629 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.472 4.872 -28.998 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.268 6.592 -28.587 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.273 5.544 -27.558 1.00 0.00 H new ATOM 749 N ARG A 35 -0.114 4.856 -25.344 1.00 0.00 N ATOM 750 CA ARG A 35 -1.607 4.890 -25.392 1.00 0.00 C ATOM 751 C ARG A 35 -2.188 5.177 -23.986 1.00 0.00 C ATOM 752 O ARG A 35 -3.217 5.846 -23.843 1.00 0.00 O ATOM 753 CB ARG A 35 -2.212 3.582 -26.026 1.00 0.00 C ATOM 754 CG ARG A 35 -1.984 2.252 -25.258 1.00 0.00 C ATOM 755 CD ARG A 35 -3.069 1.919 -24.213 1.00 0.00 C ATOM 756 NE ARG A 35 -2.674 0.775 -23.366 1.00 0.00 N ATOM 757 CZ ARG A 35 -3.442 0.200 -22.421 1.00 0.00 C ATOM 758 NH1 ARG A 35 -4.707 0.558 -22.253 1.00 0.00 N ATOM 759 NH2 ARG A 35 -2.931 -0.747 -21.653 1.00 0.00 N ATOM 0 H ARG A 35 0.295 3.946 -25.558 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.900 5.708 -26.050 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.286 3.727 -26.140 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.798 3.469 -27.028 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.930 1.436 -25.979 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.017 2.299 -24.756 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.251 2.792 -23.586 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.006 1.690 -24.721 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.741 0.388 -23.509 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.115 1.281 -22.845 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.272 0.110 -21.532 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.961 -1.037 -21.778 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.506 -1.187 -20.935 1.00 0.00 H new ATOM 773 N SER A 36 -1.512 4.644 -22.960 1.00 0.00 N ATOM 774 CA SER A 36 -1.859 4.880 -21.557 1.00 0.00 C ATOM 775 C SER A 36 -1.416 6.291 -21.094 1.00 0.00 C ATOM 776 O SER A 36 -2.069 6.897 -20.240 1.00 0.00 O ATOM 777 CB SER A 36 -1.249 3.778 -20.673 1.00 0.00 C ATOM 778 OG SER A 36 -1.715 2.498 -21.052 1.00 0.00 O ATOM 0 H SER A 36 -0.704 4.033 -23.083 1.00 0.00 H new ATOM 0 HA SER A 36 -2.944 4.841 -21.457 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.162 3.809 -20.748 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.501 3.965 -19.629 1.00 0.00 H new ATOM 0 HG SER A 36 -1.120 2.122 -21.734 1.00 0.00 H new ATOM 784 N LEU A 37 -0.288 6.793 -21.647 1.00 0.00 N ATOM 785 CA LEU A 37 0.273 8.117 -21.276 1.00 0.00 C ATOM 786 C LEU A 37 -0.703 9.261 -21.603 1.00 0.00 C ATOM 787 O LEU A 37 -0.801 10.218 -20.843 1.00 0.00 O ATOM 788 CB LEU A 37 1.661 8.376 -21.961 1.00 0.00 C ATOM 789 CG LEU A 37 2.929 8.249 -21.066 1.00 0.00 C ATOM 790 CD1 LEU A 37 2.867 9.195 -19.851 1.00 0.00 C ATOM 791 CD2 LEU A 37 3.154 6.807 -20.626 1.00 0.00 C ATOM 0 H LEU A 37 0.255 6.300 -22.355 1.00 0.00 H new ATOM 0 HA LEU A 37 0.426 8.097 -20.197 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.763 7.679 -22.793 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.646 9.380 -22.386 1.00 0.00 H new ATOM 0 HG LEU A 37 3.783 8.552 -21.673 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.769 9.077 -19.251 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.793 10.226 -20.196 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.994 8.952 -19.245 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.047 6.752 -20.003 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.291 6.462 -20.056 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.285 6.175 -21.504 1.00 0.00 H new ATOM 803 N GLU A 38 -1.397 9.171 -22.753 1.00 0.00 N ATOM 804 CA GLU A 38 -2.407 10.185 -23.138 1.00 0.00 C ATOM 805 C GLU A 38 -3.691 10.068 -22.298 1.00 0.00 C ATOM 806 O GLU A 38 -4.405 11.060 -22.104 1.00 0.00 O ATOM 807 CB GLU A 38 -2.745 10.137 -24.645 1.00 0.00 C ATOM 808 CG GLU A 38 -3.126 8.762 -25.227 1.00 0.00 C ATOM 809 CD GLU A 38 -3.854 8.864 -26.586 1.00 0.00 C ATOM 810 OE1 GLU A 38 -3.188 9.019 -27.633 1.00 0.00 O ATOM 811 OE2 GLU A 38 -5.103 8.812 -26.605 1.00 0.00 O ATOM 0 H GLU A 38 -1.282 8.416 -23.429 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.952 11.154 -22.930 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.570 10.825 -24.830 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.885 10.514 -25.198 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.224 8.162 -25.348 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.765 8.237 -24.517 1.00 0.00 H new ATOM 818 N ALA A 39 -3.960 8.858 -21.792 1.00 0.00 N ATOM 819 CA ALA A 39 -5.132 8.585 -20.932 1.00 0.00 C ATOM 820 C ALA A 39 -4.983 9.259 -19.547 1.00 0.00 C ATOM 821 O ALA A 39 -5.966 9.437 -18.824 1.00 0.00 O ATOM 822 CB ALA A 39 -5.328 7.067 -20.808 1.00 0.00 C ATOM 0 H ALA A 39 -3.377 8.039 -21.963 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.021 9.015 -21.393 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.191 6.862 -20.175 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.494 6.640 -21.797 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.438 6.620 -20.364 1.00 0.00 H new ATOM 828 N GLU A 40 -3.734 9.615 -19.194 1.00 0.00 N ATOM 829 CA GLU A 40 -3.416 10.393 -17.989 1.00 0.00 C ATOM 830 C GLU A 40 -3.282 11.876 -18.363 1.00 0.00 C ATOM 831 O GLU A 40 -4.002 12.746 -17.858 1.00 0.00 O ATOM 832 CB GLU A 40 -2.073 9.914 -17.385 1.00 0.00 C ATOM 833 CG GLU A 40 -1.931 8.403 -17.196 1.00 0.00 C ATOM 834 CD GLU A 40 -2.826 7.815 -16.087 1.00 0.00 C ATOM 835 OE1 GLU A 40 -4.028 7.566 -16.336 1.00 0.00 O ATOM 836 OE2 GLU A 40 -2.330 7.608 -14.957 1.00 0.00 O ATOM 0 H GLU A 40 -2.912 9.367 -19.744 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.215 10.256 -17.260 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.263 10.259 -18.028 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.939 10.397 -16.417 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.167 7.907 -18.138 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.890 8.174 -16.967 1.00 0.00 H new ATOM 843 N TYR A 41 -2.329 12.119 -19.278 1.00 0.00 N ATOM 844 CA TYR A 41 -1.879 13.452 -19.668 1.00 0.00 C ATOM 845 C TYR A 41 -2.620 13.910 -20.934 1.00 0.00 C ATOM 846 O TYR A 41 -2.353 13.411 -22.036 1.00 0.00 O ATOM 847 CB TYR A 41 -0.342 13.454 -19.915 1.00 0.00 C ATOM 848 CG TYR A 41 0.502 13.078 -18.678 1.00 0.00 C ATOM 849 CD1 TYR A 41 0.827 11.751 -18.403 1.00 0.00 C ATOM 850 CD2 TYR A 41 0.961 14.051 -17.786 1.00 0.00 C ATOM 851 CE1 TYR A 41 1.569 11.406 -17.287 1.00 0.00 C ATOM 852 CE2 TYR A 41 1.698 13.706 -16.668 1.00 0.00 C ATOM 853 CZ TYR A 41 2.002 12.388 -16.425 1.00 0.00 C ATOM 854 OH TYR A 41 2.740 12.053 -15.305 1.00 0.00 O ATOM 0 H TYR A 41 -1.843 11.372 -19.775 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.102 14.147 -18.858 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.115 12.756 -20.721 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.042 14.445 -20.257 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.492 10.975 -19.076 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.736 15.091 -17.973 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.807 10.371 -17.093 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.035 14.472 -15.986 1.00 0.00 H new ATOM 0 HH TYR A 41 2.965 12.866 -14.806 1.00 0.00 H new ATOM 864 N ASP A 42 -3.553 14.859 -20.762 1.00 0.00 N ATOM 865 CA ASP A 42 -4.281 15.496 -21.887 1.00 0.00 C ATOM 866 C ASP A 42 -3.314 16.278 -22.801 1.00 0.00 C ATOM 867 O ASP A 42 -3.570 16.448 -23.997 1.00 0.00 O ATOM 868 CB ASP A 42 -5.387 16.445 -21.360 1.00 0.00 C ATOM 869 CG ASP A 42 -4.843 17.548 -20.432 1.00 0.00 C ATOM 870 OD1 ASP A 42 -4.717 17.300 -19.212 1.00 0.00 O ATOM 871 OD2 ASP A 42 -4.527 18.657 -20.914 1.00 0.00 O ATOM 0 H ASP A 42 -3.828 15.210 -19.845 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.746 14.701 -22.470 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.894 16.908 -22.206 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.133 15.861 -20.822 1.00 0.00 H new ATOM 876 N GLY A 43 -2.195 16.740 -22.207 1.00 0.00 N ATOM 877 CA GLY A 43 -1.137 17.441 -22.936 1.00 0.00 C ATOM 878 C GLY A 43 -0.305 16.536 -23.833 1.00 0.00 C ATOM 879 O GLY A 43 0.589 17.014 -24.525 1.00 0.00 O ATOM 0 H GLY A 43 -2.007 16.634 -21.210 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.587 18.226 -23.544 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.478 17.931 -22.219 1.00 0.00 H new ATOM 883 N LEU A 44 -0.560 15.214 -23.775 1.00 0.00 N ATOM 884 CA LEU A 44 0.049 14.231 -24.686 1.00 0.00 C ATOM 885 C LEU A 44 -0.990 13.633 -25.643 1.00 0.00 C ATOM 886 O LEU A 44 -0.602 12.922 -26.568 1.00 0.00 O ATOM 887 CB LEU A 44 0.732 13.085 -23.904 1.00 0.00 C ATOM 888 CG LEU A 44 1.910 13.483 -22.965 1.00 0.00 C ATOM 889 CD1 LEU A 44 2.487 12.260 -22.226 1.00 0.00 C ATOM 890 CD2 LEU A 44 3.014 14.235 -23.733 1.00 0.00 C ATOM 0 H LEU A 44 -1.195 14.799 -23.093 1.00 0.00 H new ATOM 0 HA LEU A 44 0.801 14.767 -25.265 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.027 12.583 -23.304 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.103 12.355 -24.624 1.00 0.00 H new ATOM 0 HG LEU A 44 1.505 14.161 -22.214 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.306 12.578 -21.581 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.706 11.799 -21.621 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.857 11.537 -22.953 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.820 14.497 -23.048 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.405 13.597 -24.526 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.599 15.143 -24.170 1.00 0.00 H new ATOM 902 N ALA A 45 -2.287 13.950 -25.448 1.00 0.00 N ATOM 903 CA ALA A 45 -3.395 13.254 -26.137 1.00 0.00 C ATOM 904 C ALA A 45 -3.296 13.363 -27.673 1.00 0.00 C ATOM 905 O ALA A 45 -3.311 14.470 -28.219 1.00 0.00 O ATOM 906 CB ALA A 45 -4.748 13.789 -25.643 1.00 0.00 C ATOM 0 H ALA A 45 -2.594 14.688 -24.815 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.315 12.195 -25.889 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.555 13.268 -26.158 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.835 13.622 -24.569 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.815 14.857 -25.850 1.00 0.00 H new ATOM 912 N GLY A 46 -3.196 12.197 -28.351 1.00 0.00 N ATOM 913 CA GLY A 46 -3.140 12.122 -29.815 1.00 0.00 C ATOM 914 C GLY A 46 -1.845 12.632 -30.443 1.00 0.00 C ATOM 915 O GLY A 46 -1.748 12.710 -31.666 1.00 0.00 O ATOM 0 H GLY A 46 -3.152 11.287 -27.892 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.287 11.085 -30.116 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.973 12.693 -30.224 1.00 0.00 H new ATOM 919 N ARG A 47 -0.854 12.983 -29.614 1.00 0.00 N ATOM 920 CA ARG A 47 0.441 13.533 -30.073 1.00 0.00 C ATOM 921 C ARG A 47 1.478 12.407 -30.153 1.00 0.00 C ATOM 922 O ARG A 47 2.405 12.437 -30.967 1.00 0.00 O ATOM 923 CB ARG A 47 0.952 14.605 -29.086 1.00 0.00 C ATOM 924 CG ARG A 47 -0.113 15.558 -28.529 1.00 0.00 C ATOM 925 CD ARG A 47 0.490 16.595 -27.578 1.00 0.00 C ATOM 926 NE ARG A 47 1.198 17.680 -28.281 1.00 0.00 N ATOM 927 CZ ARG A 47 1.722 18.774 -27.699 1.00 0.00 C ATOM 928 NH1 ARG A 47 1.636 18.966 -26.386 1.00 0.00 N ATOM 929 NH2 ARG A 47 2.327 19.678 -28.444 1.00 0.00 N ATOM 0 H ARG A 47 -0.922 12.896 -28.600 1.00 0.00 H new ATOM 0 HA ARG A 47 0.296 13.984 -31.055 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.436 14.101 -28.249 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.718 15.198 -29.586 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.611 16.068 -29.354 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.875 14.983 -28.003 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.304 17.024 -26.966 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.182 16.097 -26.899 1.00 0.00 H new ATOM 0 HE ARG A 47 1.299 17.594 -29.292 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.166 18.277 -25.799 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.040 19.803 -25.965 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.395 19.545 -29.453 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.727 20.511 -28.011 1.00 0.00 H new ATOM 943 N LEU A 48 1.317 11.451 -29.240 1.00 0.00 N ATOM 944 CA LEU A 48 2.189 10.278 -29.103 1.00 0.00 C ATOM 945 C LEU A 48 1.576 9.040 -29.800 1.00 0.00 C ATOM 946 O LEU A 48 2.148 7.955 -29.748 1.00 0.00 O ATOM 947 CB LEU A 48 2.501 10.029 -27.590 1.00 0.00 C ATOM 948 CG LEU A 48 1.388 9.469 -26.624 1.00 0.00 C ATOM 949 CD1 LEU A 48 1.724 9.805 -25.156 1.00 0.00 C ATOM 950 CD2 LEU A 48 -0.040 9.900 -26.964 1.00 0.00 C ATOM 0 H LEU A 48 0.560 11.468 -28.557 1.00 0.00 H new ATOM 0 HA LEU A 48 3.135 10.470 -29.609 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.343 9.338 -27.545 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.843 10.976 -27.172 1.00 0.00 H new ATOM 0 HG LEU A 48 1.400 8.389 -26.771 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.944 9.410 -24.505 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.681 9.356 -24.890 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.785 10.887 -25.035 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.733 9.465 -26.244 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.111 10.987 -26.925 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.295 9.556 -27.966 1.00 0.00 H new ATOM 962 N ILE A 49 0.395 9.232 -30.443 1.00 0.00 N ATOM 963 CA ILE A 49 -0.266 8.224 -31.314 1.00 0.00 C ATOM 964 C ILE A 49 -0.722 8.898 -32.627 1.00 0.00 C ATOM 965 O ILE A 49 -1.217 10.030 -32.598 1.00 0.00 O ATOM 966 CB ILE A 49 -1.511 7.530 -30.629 1.00 0.00 C ATOM 967 CG1 ILE A 49 -1.051 6.626 -29.455 1.00 0.00 C ATOM 968 CG2 ILE A 49 -2.370 6.708 -31.649 1.00 0.00 C ATOM 969 CD1 ILE A 49 -2.158 5.850 -28.780 1.00 0.00 C ATOM 0 H ILE A 49 -0.132 10.102 -30.370 1.00 0.00 H new ATOM 0 HA ILE A 49 0.470 7.444 -31.509 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.147 8.325 -30.240 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.308 5.921 -29.828 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.555 7.248 -28.709 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.213 6.251 -31.130 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.741 7.372 -32.430 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.754 5.928 -32.098 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.740 5.248 -27.973 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.892 6.544 -28.372 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.641 5.197 -29.507 1.00 0.00 H new ATOM 981 N GLU A 50 -0.539 8.200 -33.764 1.00 0.00 N ATOM 982 CA GLU A 50 -1.178 8.548 -35.049 1.00 0.00 C ATOM 983 C GLU A 50 -1.332 7.261 -35.887 1.00 0.00 C ATOM 984 O GLU A 50 -0.372 6.524 -36.029 1.00 0.00 O ATOM 985 CB GLU A 50 -0.342 9.615 -35.831 1.00 0.00 C ATOM 986 CG GLU A 50 -1.152 10.603 -36.716 1.00 0.00 C ATOM 987 CD GLU A 50 -2.021 9.933 -37.793 1.00 0.00 C ATOM 988 OE1 GLU A 50 -1.473 9.553 -38.847 1.00 0.00 O ATOM 989 OE2 GLU A 50 -3.246 9.756 -37.574 1.00 0.00 O ATOM 0 H GLU A 50 0.059 7.375 -33.818 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.157 8.986 -34.854 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.235 10.194 -35.110 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.373 9.092 -36.466 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.794 11.204 -36.072 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.457 11.288 -37.203 1.00 0.00 H new ATOM 996 N ASP A 51 -2.548 7.012 -36.410 1.00 0.00 N ATOM 997 CA ASP A 51 -2.875 5.875 -37.332 1.00 0.00 C ATOM 998 C ASP A 51 -2.447 4.504 -36.741 1.00 0.00 C ATOM 999 O ASP A 51 -2.137 3.554 -37.463 1.00 0.00 O ATOM 1000 CB ASP A 51 -2.244 6.136 -38.740 1.00 0.00 C ATOM 1001 CG ASP A 51 -2.806 5.237 -39.859 1.00 0.00 C ATOM 1002 OD1 ASP A 51 -4.014 5.357 -40.182 1.00 0.00 O ATOM 1003 OD2 ASP A 51 -2.059 4.402 -40.419 1.00 0.00 O ATOM 0 H ASP A 51 -3.356 7.600 -36.207 1.00 0.00 H new ATOM 0 HA ASP A 51 -3.958 5.824 -37.447 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.406 7.179 -39.011 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.166 5.987 -38.676 1.00 0.00 H new ATOM 1008 N GLY A 52 -2.490 4.415 -35.400 1.00 0.00 N ATOM 1009 CA GLY A 52 -2.140 3.195 -34.670 1.00 0.00 C ATOM 1010 C GLY A 52 -0.639 2.960 -34.498 1.00 0.00 C ATOM 1011 O GLY A 52 -0.256 2.041 -33.777 1.00 0.00 O ATOM 0 H GLY A 52 -2.769 5.189 -34.797 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.603 3.233 -33.684 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.570 2.340 -35.192 1.00 0.00 H new ATOM 1015 N GLU A 53 0.210 3.750 -35.180 1.00 0.00 N ATOM 1016 CA GLU A 53 1.666 3.779 -34.919 1.00 0.00 C ATOM 1017 C GLU A 53 1.971 4.909 -33.919 1.00 0.00 C ATOM 1018 O GLU A 53 1.041 5.539 -33.384 1.00 0.00 O ATOM 1019 CB GLU A 53 2.500 3.958 -36.216 1.00 0.00 C ATOM 1020 CG GLU A 53 2.212 5.259 -36.996 1.00 0.00 C ATOM 1021 CD GLU A 53 3.349 5.675 -37.935 1.00 0.00 C ATOM 1022 OE1 GLU A 53 4.252 6.427 -37.490 1.00 0.00 O ATOM 1023 OE2 GLU A 53 3.365 5.237 -39.109 1.00 0.00 O ATOM 0 H GLU A 53 -0.088 4.383 -35.923 1.00 0.00 H new ATOM 0 HA GLU A 53 1.955 2.816 -34.498 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.558 3.933 -35.957 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.312 3.108 -36.872 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.300 5.129 -37.579 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.025 6.065 -36.286 1.00 0.00 H new ATOM 1030 N VAL A 54 3.276 5.149 -33.660 1.00 0.00 N ATOM 1031 CA VAL A 54 3.712 6.169 -32.701 1.00 0.00 C ATOM 1032 C VAL A 54 3.304 7.598 -33.166 1.00 0.00 C ATOM 1033 O VAL A 54 2.568 8.233 -32.447 1.00 0.00 O ATOM 1034 CB VAL A 54 5.261 6.060 -32.390 1.00 0.00 C ATOM 1035 CG1 VAL A 54 5.588 4.736 -31.653 1.00 0.00 C ATOM 1036 CG2 VAL A 54 6.124 6.189 -33.663 1.00 0.00 C ATOM 0 H VAL A 54 4.042 4.645 -34.107 1.00 0.00 H new ATOM 0 HA VAL A 54 3.192 5.979 -31.762 1.00 0.00 H new ATOM 0 HB VAL A 54 5.509 6.898 -31.738 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.658 4.686 -31.451 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.039 4.698 -30.712 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.297 3.891 -32.277 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.178 6.108 -33.398 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.863 5.394 -34.361 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.941 7.157 -34.130 1.00 0.00 H new ATOM 1046 N LYS A 55 3.699 8.026 -34.404 1.00 0.00 N ATOM 1047 CA LYS A 55 3.402 9.382 -34.989 1.00 0.00 C ATOM 1048 C LYS A 55 4.495 9.749 -36.025 1.00 0.00 C ATOM 1049 O LYS A 55 5.686 9.500 -35.781 1.00 0.00 O ATOM 1050 CB LYS A 55 3.296 10.521 -33.904 1.00 0.00 C ATOM 1051 CG LYS A 55 3.278 11.995 -34.386 1.00 0.00 C ATOM 1052 CD LYS A 55 1.896 12.479 -34.874 1.00 0.00 C ATOM 1053 CE LYS A 55 0.849 12.519 -33.747 1.00 0.00 C ATOM 1054 NZ LYS A 55 -0.483 12.959 -34.226 1.00 0.00 N ATOM 0 H LYS A 55 4.240 7.435 -35.035 1.00 0.00 H new ATOM 0 HA LYS A 55 2.425 9.313 -35.467 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.387 10.348 -33.328 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.135 10.406 -33.218 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.609 12.637 -33.570 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.999 12.111 -35.195 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.996 13.474 -35.307 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.544 11.820 -35.668 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.762 11.528 -33.301 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.190 13.194 -32.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.224 12.529 -33.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.549 13.995 -34.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.612 12.662 -35.214 1.00 0.00 H new ATOM 1068 N PRO A 56 4.102 10.323 -37.212 1.00 0.00 N ATOM 1069 CA PRO A 56 5.032 11.002 -38.143 1.00 0.00 C ATOM 1070 C PRO A 56 5.814 12.150 -37.449 1.00 0.00 C ATOM 1071 O PRO A 56 5.218 13.005 -36.779 1.00 0.00 O ATOM 1072 CB PRO A 56 4.093 11.559 -39.256 1.00 0.00 C ATOM 1073 CG PRO A 56 2.717 11.493 -38.664 1.00 0.00 C ATOM 1074 CD PRO A 56 2.732 10.294 -37.768 1.00 0.00 C ATOM 0 HA PRO A 56 5.799 10.328 -38.525 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.360 12.581 -39.524 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.161 10.963 -40.166 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.485 12.399 -38.105 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.959 11.395 -39.441 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.976 10.363 -36.986 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.538 9.374 -38.319 1.00 0.00 H new ATOM 1082 N HIS A 57 7.156 12.112 -37.598 1.00 0.00 N ATOM 1083 CA HIS A 57 8.106 13.159 -37.137 1.00 0.00 C ATOM 1084 C HIS A 57 8.367 13.140 -35.613 1.00 0.00 C ATOM 1085 O HIS A 57 9.237 13.887 -35.138 1.00 0.00 O ATOM 1086 CB HIS A 57 7.696 14.588 -37.616 1.00 0.00 C ATOM 1087 CG HIS A 57 7.750 14.787 -39.119 1.00 0.00 C ATOM 1088 ND1 HIS A 57 8.520 15.759 -39.727 1.00 0.00 N ATOM 1089 CD2 HIS A 57 7.124 14.132 -40.132 1.00 0.00 C ATOM 1090 CE1 HIS A 57 8.362 15.698 -41.030 1.00 0.00 C ATOM 1091 NE2 HIS A 57 7.523 14.720 -41.303 1.00 0.00 N ATOM 0 H HIS A 57 7.626 11.331 -38.055 1.00 0.00 H new ATOM 0 HA HIS A 57 9.052 12.903 -37.613 1.00 0.00 H new ATOM 0 HB2 HIS A 57 6.683 14.797 -37.271 1.00 0.00 H new ATOM 0 HB3 HIS A 57 8.351 15.318 -37.142 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.440 13.303 -40.032 1.00 0.00 H new ATOM 0 HE1 HIS A 57 8.839 16.341 -41.755 1.00 0.00 H new ATOM 0 HE2 HIS A 57 7.219 14.445 -42.237 1.00 0.00 H new ATOM 1100 N VAL A 58 7.628 12.301 -34.849 1.00 0.00 N ATOM 1101 CA VAL A 58 7.912 12.094 -33.411 1.00 0.00 C ATOM 1102 C VAL A 58 9.177 11.224 -33.300 1.00 0.00 C ATOM 1103 O VAL A 58 9.398 10.331 -34.141 1.00 0.00 O ATOM 1104 CB VAL A 58 6.684 11.439 -32.622 1.00 0.00 C ATOM 1105 CG1 VAL A 58 6.681 9.891 -32.662 1.00 0.00 C ATOM 1106 CG2 VAL A 58 6.605 11.943 -31.162 1.00 0.00 C ATOM 0 H VAL A 58 6.838 11.761 -35.202 1.00 0.00 H new ATOM 0 HA VAL A 58 8.072 13.064 -32.939 1.00 0.00 H new ATOM 0 HB VAL A 58 5.791 11.769 -33.153 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.821 9.514 -32.107 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.621 9.554 -33.697 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.598 9.514 -32.210 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.758 11.475 -30.661 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.525 11.685 -30.638 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.476 13.025 -31.157 1.00 0.00 H new ATOM 1116 N ASN A 59 10.035 11.516 -32.320 1.00 0.00 N ATOM 1117 CA ASN A 59 11.243 10.719 -32.083 1.00 0.00 C ATOM 1118 C ASN A 59 11.081 9.986 -30.756 1.00 0.00 C ATOM 1119 O ASN A 59 11.198 10.577 -29.693 1.00 0.00 O ATOM 1120 CB ASN A 59 12.496 11.639 -32.075 1.00 0.00 C ATOM 1121 CG ASN A 59 12.679 12.408 -33.387 1.00 0.00 C ATOM 1122 OD1 ASN A 59 13.351 11.797 -34.352 1.00 0.00 O flip ATOM 1123 ND2 ASN A 59 12.200 13.536 -33.541 1.00 0.00 N flip ATOM 0 H ASN A 59 9.916 12.299 -31.677 1.00 0.00 H new ATOM 0 HA ASN A 59 11.381 9.988 -32.880 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.414 12.349 -31.252 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.383 11.034 -31.887 1.00 0.00 H new ATOM 0 HD21 ASN A 59 11.688 13.981 -32.779 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.317 14.023 -34.430 1.00 0.00 H new ATOM 1130 N VAL A 60 10.799 8.685 -30.837 1.00 0.00 N ATOM 1131 CA VAL A 60 10.671 7.816 -29.660 1.00 0.00 C ATOM 1132 C VAL A 60 11.809 6.797 -29.661 1.00 0.00 C ATOM 1133 O VAL A 60 12.161 6.243 -30.705 1.00 0.00 O ATOM 1134 CB VAL A 60 9.278 7.102 -29.577 1.00 0.00 C ATOM 1135 CG1 VAL A 60 8.172 8.093 -29.121 1.00 0.00 C ATOM 1136 CG2 VAL A 60 8.890 6.440 -30.919 1.00 0.00 C ATOM 0 H VAL A 60 10.652 8.200 -31.722 1.00 0.00 H new ATOM 0 HA VAL A 60 10.738 8.445 -28.772 1.00 0.00 H new ATOM 0 HB VAL A 60 9.366 6.312 -28.831 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.215 7.573 -29.071 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.421 8.489 -28.136 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.102 8.914 -29.835 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.918 5.956 -30.819 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.838 7.200 -31.698 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.640 5.696 -31.188 1.00 0.00 H new ATOM 1146 N LEU A 61 12.398 6.608 -28.480 1.00 0.00 N ATOM 1147 CA LEU A 61 13.651 5.876 -28.272 1.00 0.00 C ATOM 1148 C LEU A 61 13.464 4.800 -27.191 1.00 0.00 C ATOM 1149 O LEU A 61 12.673 4.963 -26.266 1.00 0.00 O ATOM 1150 CB LEU A 61 14.805 6.839 -27.823 1.00 0.00 C ATOM 1151 CG LEU A 61 15.315 7.917 -28.835 1.00 0.00 C ATOM 1152 CD1 LEU A 61 14.292 9.019 -29.099 1.00 0.00 C ATOM 1153 CD2 LEU A 61 16.666 8.526 -28.404 1.00 0.00 C ATOM 0 H LEU A 61 12.004 6.972 -27.612 1.00 0.00 H new ATOM 0 HA LEU A 61 13.921 5.413 -29.221 1.00 0.00 H new ATOM 0 HB2 LEU A 61 14.472 7.359 -26.925 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.658 6.223 -27.537 1.00 0.00 H new ATOM 0 HG LEU A 61 15.466 7.384 -29.774 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.705 9.736 -29.809 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.384 8.581 -29.513 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.056 9.528 -28.164 1.00 0.00 H new ATOM 0 HD21 LEU A 61 16.980 9.269 -29.137 1.00 0.00 H new ATOM 0 HD22 LEU A 61 16.556 9.001 -27.429 1.00 0.00 H new ATOM 0 HD23 LEU A 61 17.417 7.738 -28.341 1.00 0.00 H new ATOM 1165 N LYS A 62 14.203 3.708 -27.339 1.00 0.00 N ATOM 1166 CA LYS A 62 14.430 2.720 -26.290 1.00 0.00 C ATOM 1167 C LYS A 62 15.916 2.793 -25.896 1.00 0.00 C ATOM 1168 O LYS A 62 16.781 2.356 -26.660 1.00 0.00 O ATOM 1169 CB LYS A 62 14.040 1.303 -26.807 1.00 0.00 C ATOM 1170 CG LYS A 62 14.622 0.109 -26.024 1.00 0.00 C ATOM 1171 CD LYS A 62 14.239 0.089 -24.541 1.00 0.00 C ATOM 1172 CE LYS A 62 15.005 -0.990 -23.770 1.00 0.00 C ATOM 1173 NZ LYS A 62 14.768 -2.365 -24.300 1.00 0.00 N ATOM 0 H LYS A 62 14.674 3.478 -28.214 1.00 0.00 H new ATOM 0 HA LYS A 62 13.814 2.924 -25.414 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.953 1.222 -26.797 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.357 1.218 -27.846 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.283 -0.817 -26.489 1.00 0.00 H new ATOM 0 HG3 LYS A 62 15.709 0.128 -26.108 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.443 1.065 -24.100 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.168 -0.087 -24.445 1.00 0.00 H new ATOM 0 HE2 LYS A 62 16.072 -0.770 -23.811 1.00 0.00 H new ATOM 0 HE3 LYS A 62 14.712 -0.956 -22.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.433 -2.980 -23.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.050 -2.328 -25.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.655 -2.746 -24.687 1.00 0.00 H new ATOM 1187 N ASN A 63 16.189 3.389 -24.717 1.00 0.00 N ATOM 1188 CA ASN A 63 17.541 3.443 -24.106 1.00 0.00 C ATOM 1189 C ASN A 63 18.545 4.165 -25.052 1.00 0.00 C ATOM 1190 O ASN A 63 19.732 3.831 -25.119 1.00 0.00 O ATOM 1191 CB ASN A 63 18.001 1.988 -23.730 1.00 0.00 C ATOM 1192 CG ASN A 63 19.198 1.930 -22.765 1.00 0.00 C ATOM 1193 OD1 ASN A 63 20.356 1.878 -23.183 1.00 0.00 O ATOM 1194 ND2 ASN A 63 18.924 1.912 -21.464 1.00 0.00 N ATOM 0 H ASN A 63 15.474 3.851 -24.155 1.00 0.00 H new ATOM 0 HA ASN A 63 17.509 4.030 -23.188 1.00 0.00 H new ATOM 0 HB2 ASN A 63 17.161 1.459 -23.280 1.00 0.00 H new ATOM 0 HB3 ASN A 63 18.261 1.454 -24.644 1.00 0.00 H new ATOM 0 HD21 ASN A 63 19.682 1.854 -20.784 1.00 0.00 H new ATOM 0 HD22 ASN A 63 17.956 1.956 -21.146 1.00 0.00 H new ATOM 1201 N GLY A 64 18.043 5.194 -25.764 1.00 0.00 N ATOM 1202 CA GLY A 64 18.834 5.964 -26.730 1.00 0.00 C ATOM 1203 C GLY A 64 18.776 5.425 -28.162 1.00 0.00 C ATOM 1204 O GLY A 64 19.169 6.132 -29.099 1.00 0.00 O ATOM 0 H GLY A 64 17.077 5.510 -25.681 1.00 0.00 H new ATOM 0 HA2 GLY A 64 18.484 6.996 -26.728 1.00 0.00 H new ATOM 0 HA3 GLY A 64 19.873 5.979 -26.401 1.00 0.00 H new ATOM 1208 N ARG A 65 18.273 4.191 -28.340 1.00 0.00 N ATOM 1209 CA ARG A 65 18.091 3.567 -29.669 1.00 0.00 C ATOM 1210 C ARG A 65 16.690 3.903 -30.190 1.00 0.00 C ATOM 1211 O ARG A 65 15.699 3.310 -29.757 1.00 0.00 O ATOM 1212 CB ARG A 65 18.298 2.028 -29.592 1.00 0.00 C ATOM 1213 CG ARG A 65 18.264 1.299 -30.960 1.00 0.00 C ATOM 1214 CD ARG A 65 18.432 -0.226 -30.832 1.00 0.00 C ATOM 1215 NE ARG A 65 18.619 -0.885 -32.142 1.00 0.00 N ATOM 1216 CZ ARG A 65 19.424 -1.939 -32.373 1.00 0.00 C ATOM 1217 NH1 ARG A 65 20.165 -2.454 -31.397 1.00 0.00 N ATOM 1218 NH2 ARG A 65 19.506 -2.462 -33.586 1.00 0.00 N ATOM 0 H ARG A 65 17.980 3.594 -27.567 1.00 0.00 H new ATOM 0 HA ARG A 65 18.837 3.962 -30.358 1.00 0.00 H new ATOM 0 HB2 ARG A 65 19.256 1.828 -29.113 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.526 1.603 -28.950 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.318 1.515 -31.457 1.00 0.00 H new ATOM 0 HG3 ARG A 65 19.056 1.694 -31.596 1.00 0.00 H new ATOM 0 HD2 ARG A 65 19.289 -0.442 -30.194 1.00 0.00 H new ATOM 0 HD3 ARG A 65 17.555 -0.645 -30.340 1.00 0.00 H new ATOM 0 HE ARG A 65 18.096 -0.511 -32.934 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.127 -2.050 -30.461 1.00 0.00 H new ATOM 0 HH12 ARG A 65 20.771 -3.253 -31.584 1.00 0.00 H new ATOM 0 HH21 ARG A 65 18.958 -2.066 -34.350 1.00 0.00 H new ATOM 0 HH22 ARG A 65 20.117 -3.261 -33.757 1.00 0.00 H new ATOM 1232 N GLU A 66 16.626 4.865 -31.109 1.00 0.00 N ATOM 1233 CA GLU A 66 15.370 5.461 -31.584 1.00 0.00 C ATOM 1234 C GLU A 66 14.504 4.413 -32.328 1.00 0.00 C ATOM 1235 O GLU A 66 14.812 4.023 -33.458 1.00 0.00 O ATOM 1236 CB GLU A 66 15.709 6.693 -32.464 1.00 0.00 C ATOM 1237 CG GLU A 66 14.616 7.771 -32.557 1.00 0.00 C ATOM 1238 CD GLU A 66 15.073 8.994 -33.365 1.00 0.00 C ATOM 1239 OE1 GLU A 66 15.071 8.930 -34.611 1.00 0.00 O ATOM 1240 OE2 GLU A 66 15.457 10.019 -32.759 1.00 0.00 O ATOM 0 H GLU A 66 17.455 5.261 -31.553 1.00 0.00 H new ATOM 0 HA GLU A 66 14.769 5.797 -30.739 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.616 7.155 -32.075 1.00 0.00 H new ATOM 0 HB3 GLU A 66 15.936 6.345 -33.472 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.726 7.344 -33.020 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.333 8.086 -31.553 1.00 0.00 H new ATOM 1247 N VAL A 67 13.420 3.963 -31.659 1.00 0.00 N ATOM 1248 CA VAL A 67 12.554 2.866 -32.140 1.00 0.00 C ATOM 1249 C VAL A 67 11.709 3.240 -33.378 1.00 0.00 C ATOM 1250 O VAL A 67 10.980 2.395 -33.891 1.00 0.00 O ATOM 1251 CB VAL A 67 11.647 2.256 -31.001 1.00 0.00 C ATOM 1252 CG1 VAL A 67 12.502 1.595 -29.891 1.00 0.00 C ATOM 1253 CG2 VAL A 67 10.691 3.306 -30.398 1.00 0.00 C ATOM 0 H VAL A 67 13.120 4.353 -30.765 1.00 0.00 H new ATOM 0 HA VAL A 67 13.250 2.090 -32.459 1.00 0.00 H new ATOM 0 HB VAL A 67 11.035 1.483 -31.467 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.847 1.185 -29.122 1.00 0.00 H new ATOM 0 HG12 VAL A 67 13.101 0.793 -30.322 1.00 0.00 H new ATOM 0 HG13 VAL A 67 13.160 2.341 -29.446 1.00 0.00 H new ATOM 0 HG21 VAL A 67 10.086 2.842 -29.619 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.271 4.123 -29.969 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.039 3.696 -31.180 1.00 0.00 H new ATOM 1263 N VAL A 68 11.817 4.497 -33.867 1.00 0.00 N ATOM 1264 CA VAL A 68 11.197 4.906 -35.153 1.00 0.00 C ATOM 1265 C VAL A 68 11.928 4.268 -36.368 1.00 0.00 C ATOM 1266 O VAL A 68 11.430 4.340 -37.494 1.00 0.00 O ATOM 1267 CB VAL A 68 11.149 6.473 -35.332 1.00 0.00 C ATOM 1268 CG1 VAL A 68 10.456 7.153 -34.129 1.00 0.00 C ATOM 1269 CG2 VAL A 68 12.554 7.073 -35.590 1.00 0.00 C ATOM 0 H VAL A 68 12.325 5.244 -33.394 1.00 0.00 H new ATOM 0 HA VAL A 68 10.171 4.538 -35.118 1.00 0.00 H new ATOM 0 HB VAL A 68 10.550 6.676 -36.220 1.00 0.00 H new ATOM 0 HG11 VAL A 68 10.438 8.232 -34.282 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.435 6.782 -34.040 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.006 6.925 -33.216 1.00 0.00 H new ATOM 0 HG21 VAL A 68 12.472 8.154 -35.707 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.206 6.848 -34.746 1.00 0.00 H new ATOM 0 HG23 VAL A 68 12.973 6.640 -36.498 1.00 0.00 H new ATOM 1279 N HIS A 69 13.126 3.686 -36.134 1.00 0.00 N ATOM 1280 CA HIS A 69 13.921 2.991 -37.181 1.00 0.00 C ATOM 1281 C HIS A 69 13.614 1.474 -37.187 1.00 0.00 C ATOM 1282 O HIS A 69 13.863 0.783 -38.184 1.00 0.00 O ATOM 1283 CB HIS A 69 15.437 3.237 -36.955 1.00 0.00 C ATOM 1284 CG HIS A 69 15.828 4.698 -36.931 1.00 0.00 C ATOM 1285 ND1 HIS A 69 16.093 5.530 -35.896 1.00 0.00 N flip ATOM 1286 CD2 HIS A 69 15.958 5.469 -38.066 1.00 0.00 C flip ATOM 1287 CE1 HIS A 69 16.378 6.764 -36.415 1.00 0.00 C flip ATOM 1288 NE2 HIS A 69 16.293 6.697 -37.730 1.00 0.00 N flip ATOM 0 H HIS A 69 13.571 3.683 -35.216 1.00 0.00 H new ATOM 0 HA HIS A 69 13.641 3.398 -38.153 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.732 2.777 -36.012 1.00 0.00 H new ATOM 0 HB3 HIS A 69 15.997 2.735 -37.744 1.00 0.00 H new ATOM 0 HD2 HIS A 69 15.808 5.119 -39.077 1.00 0.00 H new ATOM 0 HE1 HIS A 69 16.630 7.645 -35.844 1.00 0.00 H new ATOM 0 HE2 HIS A 69 16.459 7.467 -38.378 1.00 0.00 H new ATOM 1297 N LEU A 70 13.084 0.972 -36.054 1.00 0.00 N ATOM 1298 CA LEU A 70 12.659 -0.435 -35.876 1.00 0.00 C ATOM 1299 C LEU A 70 11.183 -0.463 -35.427 1.00 0.00 C ATOM 1300 O LEU A 70 10.415 0.431 -35.797 1.00 0.00 O ATOM 1301 CB LEU A 70 13.604 -1.194 -34.871 1.00 0.00 C ATOM 1302 CG LEU A 70 13.851 -0.543 -33.458 1.00 0.00 C ATOM 1303 CD1 LEU A 70 14.273 -1.602 -32.415 1.00 0.00 C ATOM 1304 CD2 LEU A 70 14.924 0.574 -33.528 1.00 0.00 C ATOM 0 H LEU A 70 12.936 1.541 -35.221 1.00 0.00 H new ATOM 0 HA LEU A 70 12.740 -0.963 -36.826 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.192 -2.191 -34.713 1.00 0.00 H new ATOM 0 HB3 LEU A 70 14.573 -1.322 -35.354 1.00 0.00 H new ATOM 0 HG LEU A 70 12.905 -0.100 -33.145 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.435 -1.119 -31.451 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.487 -2.351 -32.318 1.00 0.00 H new ATOM 0 HD13 LEU A 70 15.195 -2.085 -32.739 1.00 0.00 H new ATOM 0 HD21 LEU A 70 15.069 1.001 -32.536 1.00 0.00 H new ATOM 0 HD22 LEU A 70 15.865 0.153 -33.883 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.593 1.354 -34.214 1.00 0.00 H new ATOM 1316 N ASP A 71 10.775 -1.521 -34.702 1.00 0.00 N ATOM 1317 CA ASP A 71 9.445 -1.607 -34.077 1.00 0.00 C ATOM 1318 C ASP A 71 9.224 -0.450 -33.077 1.00 0.00 C ATOM 1319 O ASP A 71 9.844 -0.425 -32.005 1.00 0.00 O ATOM 1320 CB ASP A 71 9.294 -2.953 -33.338 1.00 0.00 C ATOM 1321 CG ASP A 71 9.176 -4.172 -34.262 1.00 0.00 C ATOM 1322 OD1 ASP A 71 10.213 -4.661 -34.759 1.00 0.00 O ATOM 1323 OD2 ASP A 71 8.038 -4.656 -34.483 1.00 0.00 O ATOM 0 H ASP A 71 11.359 -2.340 -34.534 1.00 0.00 H new ATOM 0 HA ASP A 71 8.698 -1.534 -34.868 1.00 0.00 H new ATOM 0 HB2 ASP A 71 10.153 -3.092 -32.681 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.410 -2.907 -32.702 1.00 0.00 H new ATOM 1328 N GLY A 72 8.343 0.494 -33.441 1.00 0.00 N ATOM 1329 CA GLY A 72 8.015 1.630 -32.574 1.00 0.00 C ATOM 1330 C GLY A 72 6.998 1.263 -31.504 1.00 0.00 C ATOM 1331 O GLY A 72 7.170 1.609 -30.337 1.00 0.00 O ATOM 0 H GLY A 72 7.846 0.491 -34.332 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.925 1.996 -32.098 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.623 2.446 -33.181 1.00 0.00 H new ATOM 1335 N MET A 73 5.931 0.567 -31.920 1.00 0.00 N ATOM 1336 CA MET A 73 4.794 0.212 -31.039 1.00 0.00 C ATOM 1337 C MET A 73 5.078 -1.019 -30.159 1.00 0.00 C ATOM 1338 O MET A 73 4.397 -1.207 -29.147 1.00 0.00 O ATOM 1339 CB MET A 73 3.507 -0.002 -31.881 1.00 0.00 C ATOM 1340 CG MET A 73 3.102 1.221 -32.711 1.00 0.00 C ATOM 1341 SD MET A 73 2.903 2.717 -31.708 1.00 0.00 S ATOM 1342 CE MET A 73 1.304 2.481 -30.934 1.00 0.00 C ATOM 0 H MET A 73 5.825 0.231 -32.877 1.00 0.00 H new ATOM 0 HA MET A 73 4.646 1.051 -30.359 1.00 0.00 H new ATOM 0 HB2 MET A 73 3.658 -0.850 -32.549 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.686 -0.265 -31.213 1.00 0.00 H new ATOM 0 HG2 MET A 73 3.857 1.400 -33.477 1.00 0.00 H new ATOM 0 HG3 MET A 73 2.166 1.009 -33.229 1.00 0.00 H new ATOM 0 HE1 MET A 73 0.642 3.302 -31.209 1.00 0.00 H new ATOM 0 HE2 MET A 73 0.872 1.538 -31.271 1.00 0.00 H new ATOM 0 HE3 MET A 73 1.424 2.459 -29.851 1.00 0.00 H new ATOM 1352 N ALA A 74 6.067 -1.859 -30.545 1.00 0.00 N ATOM 1353 CA ALA A 74 6.399 -3.092 -29.794 1.00 0.00 C ATOM 1354 C ALA A 74 7.801 -3.609 -30.147 1.00 0.00 C ATOM 1355 O ALA A 74 7.943 -4.533 -30.951 1.00 0.00 O ATOM 1356 CB ALA A 74 5.325 -4.180 -30.035 1.00 0.00 C ATOM 0 H ALA A 74 6.647 -1.706 -31.370 1.00 0.00 H new ATOM 0 HA ALA A 74 6.405 -2.845 -28.732 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.585 -5.079 -29.476 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.354 -3.813 -29.701 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.278 -4.416 -31.098 1.00 0.00 H new ATOM 1362 N THR A 75 8.843 -2.986 -29.558 1.00 0.00 N ATOM 1363 CA THR A 75 10.241 -3.375 -29.811 1.00 0.00 C ATOM 1364 C THR A 75 10.632 -4.679 -29.053 1.00 0.00 C ATOM 1365 O THR A 75 10.670 -5.756 -29.672 1.00 0.00 O ATOM 1366 CB THR A 75 11.257 -2.190 -29.543 1.00 0.00 C ATOM 1367 OG1 THR A 75 12.611 -2.660 -29.627 1.00 0.00 O ATOM 1368 CG2 THR A 75 11.041 -1.489 -28.188 1.00 0.00 C ATOM 0 H THR A 75 8.739 -2.211 -28.903 1.00 0.00 H new ATOM 0 HA THR A 75 10.314 -3.601 -30.875 1.00 0.00 H new ATOM 0 HB THR A 75 11.065 -1.450 -30.320 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.227 -1.916 -29.461 1.00 0.00 H new ATOM 0 HG21 THR A 75 11.772 -0.689 -28.072 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.035 -1.070 -28.151 1.00 0.00 H new ATOM 0 HG23 THR A 75 11.163 -2.211 -27.381 1.00 0.00 H new ATOM 1376 N ALA A 76 10.843 -4.595 -27.723 1.00 0.00 N ATOM 1377 CA ALA A 76 11.528 -5.662 -26.957 1.00 0.00 C ATOM 1378 C ALA A 76 11.561 -5.345 -25.449 1.00 0.00 C ATOM 1379 O ALA A 76 12.541 -5.673 -24.763 1.00 0.00 O ATOM 1380 CB ALA A 76 12.960 -5.910 -27.499 1.00 0.00 C ATOM 0 H ALA A 76 10.549 -3.800 -27.155 1.00 0.00 H new ATOM 0 HA ALA A 76 10.952 -6.577 -27.091 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.438 -6.698 -26.917 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.906 -6.213 -28.545 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.544 -4.993 -27.417 1.00 0.00 H new ATOM 1386 N LEU A 77 10.493 -4.710 -24.927 1.00 0.00 N ATOM 1387 CA LEU A 77 10.502 -4.184 -23.546 1.00 0.00 C ATOM 1388 C LEU A 77 10.393 -5.306 -22.486 1.00 0.00 C ATOM 1389 O LEU A 77 9.795 -6.362 -22.721 1.00 0.00 O ATOM 1390 CB LEU A 77 9.369 -3.146 -23.305 1.00 0.00 C ATOM 1391 CG LEU A 77 9.455 -1.810 -24.108 1.00 0.00 C ATOM 1392 CD1 LEU A 77 8.499 -0.758 -23.512 1.00 0.00 C ATOM 1393 CD2 LEU A 77 10.895 -1.262 -24.168 1.00 0.00 C ATOM 0 H LEU A 77 9.622 -4.550 -25.433 1.00 0.00 H new ATOM 0 HA LEU A 77 11.466 -3.688 -23.433 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.417 -3.622 -23.539 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.351 -2.903 -22.243 1.00 0.00 H new ATOM 0 HG LEU A 77 9.148 -2.026 -25.131 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.573 0.167 -24.085 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.476 -1.131 -23.555 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.772 -0.565 -22.475 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.907 -0.332 -24.736 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.255 -1.074 -23.157 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.542 -1.992 -24.654 1.00 0.00 H new ATOM 1405 N ASP A 78 11.000 -5.018 -21.330 1.00 0.00 N ATOM 1406 CA ASP A 78 11.084 -5.905 -20.160 1.00 0.00 C ATOM 1407 C ASP A 78 11.252 -5.011 -18.904 1.00 0.00 C ATOM 1408 O ASP A 78 11.276 -3.786 -19.022 1.00 0.00 O ATOM 1409 CB ASP A 78 12.281 -6.890 -20.342 1.00 0.00 C ATOM 1410 CG ASP A 78 12.268 -8.105 -19.384 1.00 0.00 C ATOM 1411 OD1 ASP A 78 11.634 -9.134 -19.719 1.00 0.00 O ATOM 1412 OD2 ASP A 78 12.890 -8.044 -18.296 1.00 0.00 O ATOM 0 H ASP A 78 11.466 -4.124 -21.175 1.00 0.00 H new ATOM 0 HA ASP A 78 10.184 -6.509 -20.047 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.282 -7.254 -21.369 1.00 0.00 H new ATOM 0 HB3 ASP A 78 13.211 -6.341 -20.198 1.00 0.00 H new ATOM 1417 N ASP A 79 11.344 -5.606 -17.716 1.00 0.00 N ATOM 1418 CA ASP A 79 11.470 -4.858 -16.449 1.00 0.00 C ATOM 1419 C ASP A 79 12.784 -4.051 -16.385 1.00 0.00 C ATOM 1420 O ASP A 79 13.863 -4.587 -16.634 1.00 0.00 O ATOM 1421 CB ASP A 79 11.368 -5.851 -15.265 1.00 0.00 C ATOM 1422 CG ASP A 79 11.453 -5.188 -13.882 1.00 0.00 C ATOM 1423 OD1 ASP A 79 10.457 -4.559 -13.447 1.00 0.00 O ATOM 1424 OD2 ASP A 79 12.510 -5.302 -13.213 1.00 0.00 O ATOM 0 H ASP A 79 11.334 -6.619 -17.596 1.00 0.00 H new ATOM 0 HA ASP A 79 10.658 -4.133 -16.389 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.425 -6.393 -15.339 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.167 -6.588 -15.353 1.00 0.00 H new ATOM 1429 N GLY A 80 12.658 -2.753 -16.054 1.00 0.00 N ATOM 1430 CA GLY A 80 13.808 -1.841 -15.937 1.00 0.00 C ATOM 1431 C GLY A 80 14.233 -1.194 -17.262 1.00 0.00 C ATOM 1432 O GLY A 80 15.251 -0.490 -17.309 1.00 0.00 O ATOM 0 H GLY A 80 11.760 -2.309 -15.861 1.00 0.00 H new ATOM 0 HA2 GLY A 80 13.563 -1.054 -15.223 1.00 0.00 H new ATOM 0 HA3 GLY A 80 14.654 -2.392 -15.526 1.00 0.00 H new ATOM 1436 N ASP A 81 13.453 -1.419 -18.330 1.00 0.00 N ATOM 1437 CA ASP A 81 13.760 -0.918 -19.689 1.00 0.00 C ATOM 1438 C ASP A 81 13.342 0.563 -19.853 1.00 0.00 C ATOM 1439 O ASP A 81 12.178 0.911 -19.669 1.00 0.00 O ATOM 1440 CB ASP A 81 13.061 -1.816 -20.754 1.00 0.00 C ATOM 1441 CG ASP A 81 13.740 -3.195 -20.978 1.00 0.00 C ATOM 1442 OD1 ASP A 81 14.373 -3.746 -20.048 1.00 0.00 O ATOM 1443 OD2 ASP A 81 13.634 -3.731 -22.105 1.00 0.00 O ATOM 0 H ASP A 81 12.587 -1.955 -18.281 1.00 0.00 H new ATOM 0 HA ASP A 81 14.839 -0.967 -19.839 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.027 -1.979 -20.451 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.035 -1.280 -21.703 1.00 0.00 H new ATOM 1448 N ALA A 82 14.317 1.427 -20.207 1.00 0.00 N ATOM 1449 CA ALA A 82 14.096 2.880 -20.359 1.00 0.00 C ATOM 1450 C ALA A 82 13.555 3.232 -21.760 1.00 0.00 C ATOM 1451 O ALA A 82 14.170 2.873 -22.769 1.00 0.00 O ATOM 1452 CB ALA A 82 15.395 3.662 -20.084 1.00 0.00 C ATOM 0 H ALA A 82 15.277 1.137 -20.395 1.00 0.00 H new ATOM 0 HA ALA A 82 13.344 3.170 -19.625 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.209 4.730 -20.202 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.731 3.462 -19.067 1.00 0.00 H new ATOM 0 HB3 ALA A 82 16.165 3.348 -20.789 1.00 0.00 H new ATOM 1458 N VAL A 83 12.404 3.935 -21.809 1.00 0.00 N ATOM 1459 CA VAL A 83 11.808 4.445 -23.061 1.00 0.00 C ATOM 1460 C VAL A 83 11.827 5.987 -23.056 1.00 0.00 C ATOM 1461 O VAL A 83 11.083 6.622 -22.303 1.00 0.00 O ATOM 1462 CB VAL A 83 10.332 3.931 -23.259 1.00 0.00 C ATOM 1463 CG1 VAL A 83 9.733 4.411 -24.605 1.00 0.00 C ATOM 1464 CG2 VAL A 83 10.264 2.393 -23.130 1.00 0.00 C ATOM 0 H VAL A 83 11.860 4.166 -20.978 1.00 0.00 H new ATOM 0 HA VAL A 83 12.405 4.069 -23.892 1.00 0.00 H new ATOM 0 HB VAL A 83 9.723 4.364 -22.465 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.714 4.036 -24.704 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.723 5.501 -24.631 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.340 4.035 -25.428 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.235 2.061 -23.270 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.899 1.936 -23.888 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.609 2.095 -22.140 1.00 0.00 H new ATOM 1474 N SER A 84 12.710 6.569 -23.879 1.00 0.00 N ATOM 1475 CA SER A 84 12.799 8.027 -24.073 1.00 0.00 C ATOM 1476 C SER A 84 11.802 8.481 -25.155 1.00 0.00 C ATOM 1477 O SER A 84 11.452 7.699 -26.032 1.00 0.00 O ATOM 1478 CB SER A 84 14.240 8.398 -24.471 1.00 0.00 C ATOM 1479 OG SER A 84 15.159 8.027 -23.460 1.00 0.00 O ATOM 0 H SER A 84 13.386 6.042 -24.432 1.00 0.00 H new ATOM 0 HA SER A 84 12.544 8.536 -23.143 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.502 7.901 -25.405 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.306 9.471 -24.651 1.00 0.00 H new ATOM 0 HG SER A 84 15.838 8.727 -23.363 1.00 0.00 H new ATOM 1485 N VAL A 85 11.322 9.742 -25.081 1.00 0.00 N ATOM 1486 CA VAL A 85 10.417 10.325 -26.099 1.00 0.00 C ATOM 1487 C VAL A 85 10.782 11.808 -26.342 1.00 0.00 C ATOM 1488 O VAL A 85 11.226 12.521 -25.432 1.00 0.00 O ATOM 1489 CB VAL A 85 8.871 10.222 -25.732 1.00 0.00 C ATOM 1490 CG1 VAL A 85 8.422 8.765 -25.419 1.00 0.00 C ATOM 1491 CG2 VAL A 85 8.497 11.166 -24.575 1.00 0.00 C ATOM 0 H VAL A 85 11.549 10.382 -24.319 1.00 0.00 H new ATOM 0 HA VAL A 85 10.564 9.731 -27.001 1.00 0.00 H new ATOM 0 HB VAL A 85 8.329 10.540 -26.623 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.360 8.756 -25.176 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.600 8.134 -26.290 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.991 8.383 -24.572 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.434 11.067 -24.354 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.078 10.905 -23.690 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.714 12.195 -24.861 1.00 0.00 H new ATOM 1501 N PHE A 86 10.589 12.239 -27.583 1.00 0.00 N ATOM 1502 CA PHE A 86 10.751 13.628 -28.036 1.00 0.00 C ATOM 1503 C PHE A 86 9.522 13.925 -28.924 1.00 0.00 C ATOM 1504 O PHE A 86 9.180 13.077 -29.759 1.00 0.00 O ATOM 1505 CB PHE A 86 12.044 13.835 -28.890 1.00 0.00 C ATOM 1506 CG PHE A 86 13.372 13.506 -28.197 1.00 0.00 C ATOM 1507 CD1 PHE A 86 13.760 12.188 -28.012 1.00 0.00 C ATOM 1508 CD2 PHE A 86 14.244 14.508 -27.763 1.00 0.00 C ATOM 1509 CE1 PHE A 86 14.964 11.873 -27.415 1.00 0.00 C ATOM 1510 CE2 PHE A 86 15.457 14.187 -27.171 1.00 0.00 C ATOM 1511 CZ PHE A 86 15.809 12.861 -27.000 1.00 0.00 C ATOM 0 H PHE A 86 10.304 11.612 -28.335 1.00 0.00 H new ATOM 0 HA PHE A 86 10.835 14.287 -27.172 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.964 13.221 -29.787 1.00 0.00 H new ATOM 0 HB3 PHE A 86 12.076 14.874 -29.217 1.00 0.00 H new ATOM 0 HD1 PHE A 86 13.108 11.393 -28.341 1.00 0.00 H new ATOM 0 HD2 PHE A 86 13.970 15.545 -27.890 1.00 0.00 H new ATOM 0 HE1 PHE A 86 15.239 10.838 -27.275 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.124 14.971 -26.845 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.752 12.607 -26.538 1.00 0.00 H new ATOM 1521 N PRO A 87 8.836 15.097 -28.761 1.00 0.00 N ATOM 1522 CA PRO A 87 7.648 15.484 -29.575 1.00 0.00 C ATOM 1523 C PRO A 87 7.927 15.571 -31.096 1.00 0.00 C ATOM 1524 O PRO A 87 9.093 15.620 -31.514 1.00 0.00 O ATOM 1525 CB PRO A 87 7.250 16.878 -28.985 1.00 0.00 C ATOM 1526 CG PRO A 87 8.484 17.358 -28.322 1.00 0.00 C ATOM 1527 CD PRO A 87 9.126 16.123 -27.748 1.00 0.00 C ATOM 0 HA PRO A 87 6.860 14.734 -29.510 1.00 0.00 H new ATOM 0 HB2 PRO A 87 6.926 17.564 -29.768 1.00 0.00 H new ATOM 0 HB3 PRO A 87 6.426 16.790 -28.277 1.00 0.00 H new ATOM 0 HG2 PRO A 87 9.146 17.853 -29.032 1.00 0.00 H new ATOM 0 HG3 PRO A 87 8.255 18.083 -27.541 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.198 16.256 -27.604 1.00 0.00 H new ATOM 0 HD3 PRO A 87 8.704 15.863 -26.778 1.00 0.00 H new ATOM 1535 N PRO A 88 6.837 15.600 -31.942 1.00 0.00 N ATOM 1536 CA PRO A 88 6.970 15.670 -33.411 1.00 0.00 C ATOM 1537 C PRO A 88 7.634 16.986 -33.846 1.00 0.00 C ATOM 1538 O PRO A 88 7.221 18.069 -33.415 1.00 0.00 O ATOM 1539 CB PRO A 88 5.508 15.554 -33.936 1.00 0.00 C ATOM 1540 CG PRO A 88 4.689 15.105 -32.760 1.00 0.00 C ATOM 1541 CD PRO A 88 5.413 15.593 -31.534 1.00 0.00 C ATOM 0 HA PRO A 88 7.609 14.883 -33.812 1.00 0.00 H new ATOM 0 HB2 PRO A 88 5.152 16.511 -34.319 1.00 0.00 H new ATOM 0 HB3 PRO A 88 5.442 14.838 -34.756 1.00 0.00 H new ATOM 0 HG2 PRO A 88 3.681 15.518 -32.807 1.00 0.00 H new ATOM 0 HG3 PRO A 88 4.589 14.020 -32.747 1.00 0.00 H new ATOM 0 HD2 PRO A 88 5.076 16.587 -31.240 1.00 0.00 H new ATOM 0 HD3 PRO A 88 5.245 14.935 -30.682 1.00 0.00 H new