USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 526 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 15 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 149:sc= -3.74 (180deg=-6.32!) USER MOD Single : A 19 LYS NZ :NH3+ -118:sc= -1.28 (180deg=-4.63!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -3.31! C(o=-3.3!,f=-7.6!) USER MOD Single : A 29 MET CE :methyl 157:sc= -0.0773 (180deg=-0.453) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 40:sc= 0.725 USER MOD Single : A 42 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-0.2) USER MOD Single : A 45 LYS NZ :NH3+ 162:sc= 0.976 (180deg=0.551) USER MOD Single : A 47 HIS : no HE2:sc= -1.01! K(o=-1!,f=-1.9) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -103:sc= 0.164 USER MOD Single : A 63 SER OG : rot -67:sc= -0.0909 USER MOD Single : A 67 HIS : no HE2:sc= -2.32 X(o=-2.3,f=-2) USER MOD Single : A 72 CYS SG : rot 180:sc= -0.482 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0559 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -152:sc= 2.12 USER MOD Single : A 77 HIS : no HD1:sc= -0.47 X(o=-0.47,f=-0.5) USER MOD Single : A 80 GLN : amide:sc= -0.162 K(o=-0.16,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 157 N PHE A 14 14.217 0.811 -0.568 1.00 0.00 N ATOM 158 CA PHE A 14 13.114 -0.131 -0.714 1.00 0.00 C ATOM 159 C PHE A 14 13.582 -1.561 -0.459 1.00 0.00 C ATOM 160 O PHE A 14 14.719 -1.916 -0.767 1.00 0.00 O ATOM 161 CB PHE A 14 12.506 -0.024 -2.114 1.00 0.00 C ATOM 162 CG PHE A 14 11.927 1.329 -2.414 1.00 0.00 C ATOM 163 CD1 PHE A 14 12.755 2.407 -2.682 1.00 0.00 C ATOM 164 CD2 PHE A 14 10.555 1.523 -2.429 1.00 0.00 C ATOM 165 CE1 PHE A 14 12.226 3.654 -2.959 1.00 0.00 C ATOM 166 CE2 PHE A 14 10.020 2.766 -2.706 1.00 0.00 C ATOM 167 CZ PHE A 14 10.857 3.834 -2.970 1.00 0.00 C ATOM 0 HA PHE A 14 12.354 0.121 0.025 1.00 0.00 H new ATOM 0 HB2 PHE A 14 13.273 -0.254 -2.853 1.00 0.00 H new ATOM 0 HB3 PHE A 14 11.725 -0.777 -2.221 1.00 0.00 H new ATOM 0 HD1 PHE A 14 13.826 2.272 -2.674 1.00 0.00 H new ATOM 0 HD2 PHE A 14 9.896 0.693 -2.222 1.00 0.00 H new ATOM 0 HE1 PHE A 14 12.883 4.486 -3.166 1.00 0.00 H new ATOM 0 HE2 PHE A 14 8.949 2.903 -2.716 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.441 4.807 -3.184 1.00 0.00 H new ATOM 177 N GLN A 15 12.697 -2.375 0.106 1.00 0.00 N ATOM 178 CA GLN A 15 13.020 -3.766 0.404 1.00 0.00 C ATOM 179 C GLN A 15 12.005 -4.709 -0.233 1.00 0.00 C ATOM 180 O GLN A 15 10.972 -4.274 -0.743 1.00 0.00 O ATOM 181 CB GLN A 15 13.061 -3.989 1.917 1.00 0.00 C ATOM 182 CG GLN A 15 14.083 -3.120 2.633 1.00 0.00 C ATOM 183 CD GLN A 15 13.877 -3.093 4.134 1.00 0.00 C ATOM 184 OE1 GLN A 15 13.210 -3.962 4.697 1.00 0.00 O ATOM 185 NE2 GLN A 15 14.450 -2.093 4.793 1.00 0.00 N ATOM 0 H GLN A 15 11.751 -2.096 0.367 1.00 0.00 H new ATOM 0 HA GLN A 15 14.003 -3.982 -0.015 1.00 0.00 H new ATOM 0 HB2 GLN A 15 12.073 -3.790 2.332 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.285 -5.037 2.115 1.00 0.00 H new ATOM 0 HG2 GLN A 15 15.085 -3.489 2.414 1.00 0.00 H new ATOM 0 HG3 GLN A 15 14.026 -2.103 2.244 1.00 0.00 H new ATOM 0 HE21 GLN A 15 14.994 -1.394 4.287 1.00 0.00 H new ATOM 0 HE22 GLN A 15 14.346 -2.023 5.805 1.00 0.00 H new ATOM 194 N LYS A 16 12.306 -6.003 -0.202 1.00 0.00 N ATOM 195 CA LYS A 16 11.420 -7.009 -0.775 1.00 0.00 C ATOM 196 C LYS A 16 10.412 -7.499 0.259 1.00 0.00 C ATOM 197 O LYS A 16 10.710 -7.561 1.452 1.00 0.00 O ATOM 198 CB LYS A 16 12.234 -8.190 -1.309 1.00 0.00 C ATOM 199 CG LYS A 16 12.720 -7.998 -2.736 1.00 0.00 C ATOM 200 CD LYS A 16 13.998 -8.777 -2.999 1.00 0.00 C ATOM 201 CE LYS A 16 14.080 -9.241 -4.445 1.00 0.00 C ATOM 202 NZ LYS A 16 15.043 -10.364 -4.613 1.00 0.00 N ATOM 0 H LYS A 16 13.158 -6.380 0.214 1.00 0.00 H new ATOM 0 HA LYS A 16 10.874 -6.549 -1.599 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.094 -8.351 -0.659 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.625 -9.092 -1.260 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.946 -8.322 -3.432 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.894 -6.938 -2.923 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.861 -8.152 -2.767 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.042 -9.641 -2.336 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.092 -9.556 -4.782 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.381 -8.406 -5.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.070 -10.652 -5.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.991 -10.056 -4.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.742 -11.170 -4.029 1.00 0.00 H new ATOM 216 N LYS A 17 9.217 -7.849 -0.206 1.00 0.00 N ATOM 217 CA LYS A 17 8.165 -8.337 0.677 1.00 0.00 C ATOM 218 C LYS A 17 7.670 -7.227 1.599 1.00 0.00 C ATOM 219 O LYS A 17 7.296 -7.479 2.744 1.00 0.00 O ATOM 220 CB LYS A 17 8.675 -9.516 1.509 1.00 0.00 C ATOM 221 CG LYS A 17 9.405 -10.567 0.691 1.00 0.00 C ATOM 222 CD LYS A 17 9.679 -11.818 1.508 1.00 0.00 C ATOM 223 CE LYS A 17 9.789 -13.049 0.622 1.00 0.00 C ATOM 224 NZ LYS A 17 10.132 -14.268 1.406 1.00 0.00 N ATOM 0 H LYS A 17 8.953 -7.803 -1.190 1.00 0.00 H new ATOM 0 HA LYS A 17 7.332 -8.670 0.058 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.344 -9.141 2.283 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.831 -9.984 2.016 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.810 -10.826 -0.184 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.346 -10.156 0.326 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.603 -11.690 2.072 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.879 -11.962 2.235 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.845 -13.206 0.100 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.550 -12.881 -0.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.198 -15.085 0.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 11.045 -14.128 1.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.393 -14.443 2.116 1.00 0.00 H new ATOM 238 N MET A 18 7.670 -5.998 1.092 1.00 0.00 N ATOM 239 CA MET A 18 7.218 -4.851 1.870 1.00 0.00 C ATOM 240 C MET A 18 6.038 -4.163 1.189 1.00 0.00 C ATOM 241 O MET A 18 5.649 -4.528 0.080 1.00 0.00 O ATOM 242 CB MET A 18 8.363 -3.854 2.061 1.00 0.00 C ATOM 243 CG MET A 18 8.540 -2.900 0.891 1.00 0.00 C ATOM 244 SD MET A 18 9.577 -1.483 1.301 1.00 0.00 S ATOM 245 CE MET A 18 9.446 -0.521 -0.204 1.00 0.00 C ATOM 0 H MET A 18 7.978 -5.772 0.146 1.00 0.00 H new ATOM 0 HA MET A 18 6.892 -5.211 2.846 1.00 0.00 H new ATOM 0 HB2 MET A 18 8.183 -3.275 2.967 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.291 -4.404 2.214 1.00 0.00 H new ATOM 0 HG2 MET A 18 8.982 -3.438 0.052 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.562 -2.547 0.564 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.526 0.540 0.034 1.00 0.00 H new ATOM 0 HE2 MET A 18 10.249 -0.801 -0.886 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.483 -0.715 -0.677 1.00 0.00 H new ATOM 255 N LYS A 19 5.472 -3.166 1.862 1.00 0.00 N ATOM 256 CA LYS A 19 4.338 -2.426 1.322 1.00 0.00 C ATOM 257 C LYS A 19 4.738 -0.997 0.969 1.00 0.00 C ATOM 258 O LYS A 19 5.598 -0.404 1.622 1.00 0.00 O ATOM 259 CB LYS A 19 3.187 -2.411 2.331 1.00 0.00 C ATOM 260 CG LYS A 19 2.497 -3.755 2.488 1.00 0.00 C ATOM 261 CD LYS A 19 1.899 -4.231 1.174 1.00 0.00 C ATOM 262 CE LYS A 19 0.673 -5.101 1.403 1.00 0.00 C ATOM 263 NZ LYS A 19 -0.337 -4.422 2.262 1.00 0.00 N ATOM 0 H LYS A 19 5.781 -2.852 2.782 1.00 0.00 H new ATOM 0 HA LYS A 19 4.009 -2.927 0.411 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.570 -2.093 3.301 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.452 -1.669 2.020 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.213 -4.492 2.852 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.711 -3.676 3.239 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.627 -3.370 0.564 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.647 -4.794 0.615 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.222 -5.353 0.443 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.975 -6.039 1.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.475 -4.970 3.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.003 -3.467 2.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.239 -4.354 1.749 1.00 0.00 H new ATOM 277 N LEU A 20 4.109 -0.450 -0.065 1.00 0.00 N ATOM 278 CA LEU A 20 4.399 0.911 -0.503 1.00 0.00 C ATOM 279 C LEU A 20 3.308 1.426 -1.437 1.00 0.00 C ATOM 280 O LEU A 20 2.813 0.692 -2.292 1.00 0.00 O ATOM 281 CB LEU A 20 5.755 0.963 -1.208 1.00 0.00 C ATOM 282 CG LEU A 20 5.725 0.849 -2.732 1.00 0.00 C ATOM 283 CD1 LEU A 20 5.613 2.226 -3.368 1.00 0.00 C ATOM 284 CD2 LEU A 20 6.964 0.125 -3.238 1.00 0.00 C ATOM 0 H LEU A 20 3.395 -0.927 -0.616 1.00 0.00 H new ATOM 0 HA LEU A 20 4.430 1.551 0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.243 1.901 -0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.377 0.158 -0.816 1.00 0.00 H new ATOM 0 HG LEU A 20 4.848 0.267 -3.016 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.593 2.125 -4.453 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.695 2.709 -3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.470 2.833 -3.076 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.925 0.053 -4.325 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.855 0.679 -2.943 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.001 -0.877 -2.809 1.00 0.00 H new ATOM 296 N GLU A 21 2.940 2.692 -1.268 1.00 0.00 N ATOM 297 CA GLU A 21 1.909 3.305 -2.097 1.00 0.00 C ATOM 298 C GLU A 21 2.500 3.829 -3.402 1.00 0.00 C ATOM 299 O GLU A 21 3.430 4.636 -3.395 1.00 0.00 O ATOM 300 CB GLU A 21 1.225 4.445 -1.339 1.00 0.00 C ATOM 301 CG GLU A 21 0.559 4.004 -0.047 1.00 0.00 C ATOM 302 CD GLU A 21 -0.047 5.162 0.722 1.00 0.00 C ATOM 303 OE1 GLU A 21 -0.077 6.285 0.178 1.00 0.00 O ATOM 304 OE2 GLU A 21 -0.492 4.944 1.868 1.00 0.00 O ATOM 0 H GLU A 21 3.340 3.313 -0.565 1.00 0.00 H new ATOM 0 HA GLU A 21 1.169 2.541 -2.335 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.964 5.214 -1.113 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.476 4.902 -1.986 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.220 3.276 -0.274 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.293 3.500 0.582 1.00 0.00 H new ATOM 311 N VAL A 22 1.954 3.364 -4.521 1.00 0.00 N ATOM 312 CA VAL A 22 2.427 3.786 -5.835 1.00 0.00 C ATOM 313 C VAL A 22 1.337 4.531 -6.597 1.00 0.00 C ATOM 314 O VAL A 22 0.168 4.149 -6.563 1.00 0.00 O ATOM 315 CB VAL A 22 2.896 2.584 -6.675 1.00 0.00 C ATOM 316 CG1 VAL A 22 3.229 3.021 -8.093 1.00 0.00 C ATOM 317 CG2 VAL A 22 4.092 1.911 -6.020 1.00 0.00 C ATOM 0 H VAL A 22 1.184 2.695 -4.544 1.00 0.00 H new ATOM 0 HA VAL A 22 3.272 4.454 -5.668 1.00 0.00 H new ATOM 0 HB VAL A 22 2.084 1.859 -6.726 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.559 2.158 -8.672 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.343 3.453 -8.558 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.025 3.766 -8.067 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.410 1.064 -6.627 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.911 2.625 -5.937 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.813 1.561 -5.026 1.00 0.00 H new ATOM 327 N VAL A 23 1.729 5.598 -7.286 1.00 0.00 N ATOM 328 CA VAL A 23 0.786 6.398 -8.060 1.00 0.00 C ATOM 329 C VAL A 23 0.463 5.730 -9.392 1.00 0.00 C ATOM 330 O VAL A 23 1.348 5.517 -10.221 1.00 0.00 O ATOM 331 CB VAL A 23 1.336 7.812 -8.326 1.00 0.00 C ATOM 332 CG1 VAL A 23 0.384 8.595 -9.217 1.00 0.00 C ATOM 333 CG2 VAL A 23 1.577 8.545 -7.015 1.00 0.00 C ATOM 0 H VAL A 23 2.693 5.929 -7.324 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.125 6.477 -7.467 1.00 0.00 H new ATOM 0 HB VAL A 23 2.290 7.721 -8.845 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.788 9.592 -9.394 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.267 8.076 -10.168 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.586 8.679 -8.727 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.965 9.542 -7.222 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.639 8.628 -6.467 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.300 7.991 -6.416 1.00 0.00 H new ATOM 343 N ASP A 24 -0.809 5.404 -9.591 1.00 0.00 N ATOM 344 CA ASP A 24 -1.250 4.762 -10.824 1.00 0.00 C ATOM 345 C ASP A 24 -0.881 5.607 -12.039 1.00 0.00 C ATOM 346 O ASP A 24 -1.485 6.650 -12.290 1.00 0.00 O ATOM 347 CB ASP A 24 -2.761 4.528 -10.790 1.00 0.00 C ATOM 348 CG ASP A 24 -3.178 3.317 -11.602 1.00 0.00 C ATOM 349 OD1 ASP A 24 -2.328 2.776 -12.339 1.00 0.00 O ATOM 350 OD2 ASP A 24 -4.354 2.911 -11.499 1.00 0.00 O ATOM 0 H ASP A 24 -1.553 5.574 -8.914 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.743 3.801 -10.905 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.082 4.397 -9.757 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.271 5.412 -11.173 1.00 0.00 H new ATOM 355 N LYS A 25 0.116 5.151 -12.789 1.00 0.00 N ATOM 356 CA LYS A 25 0.567 5.864 -13.979 1.00 0.00 C ATOM 357 C LYS A 25 -0.619 6.382 -14.785 1.00 0.00 C ATOM 358 O LYS A 25 -0.744 7.584 -15.022 1.00 0.00 O ATOM 359 CB LYS A 25 1.429 4.948 -14.851 1.00 0.00 C ATOM 360 CG LYS A 25 2.330 4.021 -14.054 1.00 0.00 C ATOM 361 CD LYS A 25 3.092 4.773 -12.976 1.00 0.00 C ATOM 362 CE LYS A 25 4.320 5.468 -13.543 1.00 0.00 C ATOM 363 NZ LYS A 25 4.696 6.668 -12.746 1.00 0.00 N ATOM 0 H LYS A 25 0.628 4.290 -12.594 1.00 0.00 H new ATOM 0 HA LYS A 25 1.165 6.717 -13.657 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.778 4.349 -15.488 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.044 5.561 -15.510 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.730 3.235 -13.595 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.036 3.532 -14.726 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.437 5.511 -12.513 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.395 4.079 -12.192 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.156 4.769 -13.563 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.126 5.763 -14.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.537 7.113 -13.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.908 7.347 -12.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.906 6.383 -11.768 1.00 0.00 H new ATOM 377 N ARG A 26 -1.489 5.468 -15.203 1.00 0.00 N ATOM 378 CA ARG A 26 -2.666 5.834 -15.982 1.00 0.00 C ATOM 379 C ARG A 26 -3.485 6.900 -15.262 1.00 0.00 C ATOM 380 O ARG A 26 -3.985 7.838 -15.883 1.00 0.00 O ATOM 381 CB ARG A 26 -3.533 4.601 -16.246 1.00 0.00 C ATOM 382 CG ARG A 26 -3.901 3.835 -14.986 1.00 0.00 C ATOM 383 CD ARG A 26 -4.082 2.351 -15.268 1.00 0.00 C ATOM 384 NE ARG A 26 -5.044 1.734 -14.360 1.00 0.00 N ATOM 385 CZ ARG A 26 -6.361 1.830 -14.508 1.00 0.00 C ATOM 386 NH1 ARG A 26 -6.868 2.513 -15.525 1.00 0.00 N ATOM 387 NH2 ARG A 26 -7.172 1.240 -13.640 1.00 0.00 N ATOM 0 H ARG A 26 -1.401 4.469 -15.015 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.328 6.242 -16.934 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.447 4.911 -16.752 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.003 3.933 -16.925 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.122 3.971 -14.236 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.822 4.242 -14.568 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.416 2.216 -16.297 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.121 1.845 -15.176 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.686 1.200 -13.568 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.247 2.966 -16.195 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.879 2.586 -15.637 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.785 0.712 -12.858 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.183 1.314 -13.755 1.00 0.00 H new ATOM 401 N ASN A 27 -3.620 6.749 -13.948 1.00 0.00 N ATOM 402 CA ASN A 27 -4.379 7.699 -13.143 1.00 0.00 C ATOM 403 C ASN A 27 -3.546 8.208 -11.972 1.00 0.00 C ATOM 404 O ASN A 27 -3.463 7.579 -10.917 1.00 0.00 O ATOM 405 CB ASN A 27 -5.663 7.047 -12.625 1.00 0.00 C ATOM 406 CG ASN A 27 -6.304 6.134 -13.653 1.00 0.00 C ATOM 407 OD1 ASN A 27 -6.023 6.232 -14.848 1.00 0.00 O ATOM 408 ND2 ASN A 27 -7.170 5.240 -13.191 1.00 0.00 N ATOM 0 H ASN A 27 -3.214 5.978 -13.418 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.639 8.548 -13.776 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.439 6.475 -11.725 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -6.373 7.824 -12.341 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.633 4.598 -13.835 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.372 5.195 -12.192 1.00 0.00 H new ATOM 415 N PRO A 28 -2.913 9.376 -12.159 1.00 0.00 N ATOM 416 CA PRO A 28 -2.076 9.997 -11.128 1.00 0.00 C ATOM 417 C PRO A 28 -2.894 10.517 -9.951 1.00 0.00 C ATOM 418 O PRO A 28 -2.342 11.015 -8.971 1.00 0.00 O ATOM 419 CB PRO A 28 -1.406 11.157 -11.868 1.00 0.00 C ATOM 420 CG PRO A 28 -2.337 11.484 -12.984 1.00 0.00 C ATOM 421 CD PRO A 28 -2.968 10.181 -13.391 1.00 0.00 C ATOM 0 HA PRO A 28 -1.373 9.288 -10.692 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.260 12.014 -11.211 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.423 10.872 -12.243 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.093 12.201 -12.664 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.802 11.936 -13.819 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.993 10.321 -13.734 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.421 9.707 -14.206 1.00 0.00 H new ATOM 429 N MET A 29 -4.214 10.396 -10.055 1.00 0.00 N ATOM 430 CA MET A 29 -5.108 10.853 -8.998 1.00 0.00 C ATOM 431 C MET A 29 -5.605 9.678 -8.161 1.00 0.00 C ATOM 432 O MET A 29 -6.536 9.818 -7.368 1.00 0.00 O ATOM 433 CB MET A 29 -6.297 11.607 -9.596 1.00 0.00 C ATOM 434 CG MET A 29 -5.895 12.810 -10.433 1.00 0.00 C ATOM 435 SD MET A 29 -5.640 12.395 -12.169 1.00 0.00 S ATOM 436 CE MET A 29 -7.323 12.079 -12.692 1.00 0.00 C ATOM 0 H MET A 29 -4.687 9.986 -10.860 1.00 0.00 H new ATOM 0 HA MET A 29 -4.549 11.528 -8.350 1.00 0.00 H new ATOM 0 HB2 MET A 29 -6.877 10.922 -10.214 1.00 0.00 H new ATOM 0 HB3 MET A 29 -6.950 11.938 -8.789 1.00 0.00 H new ATOM 0 HG2 MET A 29 -6.667 13.575 -10.356 1.00 0.00 H new ATOM 0 HG3 MET A 29 -4.979 13.240 -10.028 1.00 0.00 H new ATOM 0 HE1 MET A 29 -7.400 12.212 -13.771 1.00 0.00 H new ATOM 0 HE2 MET A 29 -7.599 11.057 -12.432 1.00 0.00 H new ATOM 0 HE3 MET A 29 -7.996 12.775 -12.192 1.00 0.00 H new ATOM 446 N PHE A 30 -4.978 8.521 -8.343 1.00 0.00 N ATOM 447 CA PHE A 30 -5.357 7.321 -7.605 1.00 0.00 C ATOM 448 C PHE A 30 -4.123 6.577 -7.105 1.00 0.00 C ATOM 449 O PHE A 30 -3.260 6.185 -7.891 1.00 0.00 O ATOM 450 CB PHE A 30 -6.200 6.399 -8.489 1.00 0.00 C ATOM 451 CG PHE A 30 -7.631 6.834 -8.616 1.00 0.00 C ATOM 452 CD1 PHE A 30 -8.554 6.523 -7.631 1.00 0.00 C ATOM 453 CD2 PHE A 30 -8.055 7.554 -9.722 1.00 0.00 C ATOM 454 CE1 PHE A 30 -9.873 6.922 -7.745 1.00 0.00 C ATOM 455 CE2 PHE A 30 -9.372 7.956 -9.841 1.00 0.00 C ATOM 456 CZ PHE A 30 -10.282 7.638 -8.852 1.00 0.00 C ATOM 0 H PHE A 30 -4.205 8.388 -8.995 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.949 7.627 -6.742 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.753 6.353 -9.482 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.171 5.389 -8.079 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.240 5.962 -6.763 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.348 7.804 -10.500 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.582 6.674 -6.969 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.689 8.518 -10.707 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.312 7.949 -8.945 1.00 0.00 H new ATOM 466 N ILE A 31 -4.046 6.387 -5.792 1.00 0.00 N ATOM 467 CA ILE A 31 -2.918 5.689 -5.186 1.00 0.00 C ATOM 468 C ILE A 31 -3.383 4.461 -4.412 1.00 0.00 C ATOM 469 O ILE A 31 -4.390 4.505 -3.705 1.00 0.00 O ATOM 470 CB ILE A 31 -2.130 6.612 -4.238 1.00 0.00 C ATOM 471 CG1 ILE A 31 -1.648 7.857 -4.986 1.00 0.00 C ATOM 472 CG2 ILE A 31 -0.953 5.864 -3.630 1.00 0.00 C ATOM 473 CD1 ILE A 31 -1.350 9.030 -4.079 1.00 0.00 C ATOM 0 H ILE A 31 -4.751 6.706 -5.128 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.265 5.376 -6.001 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.790 6.930 -3.431 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.749 7.607 -5.550 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.407 8.152 -5.710 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.405 6.529 -2.962 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.319 5.005 -3.067 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.290 5.521 -4.425 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.014 9.877 -4.678 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.252 9.307 -3.534 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.569 8.753 -3.371 1.00 0.00 H new ATOM 485 N ARG A 32 -2.642 3.366 -4.549 1.00 0.00 N ATOM 486 CA ARG A 32 -2.978 2.125 -3.862 1.00 0.00 C ATOM 487 C ARG A 32 -1.727 1.465 -3.290 1.00 0.00 C ATOM 488 O ARG A 32 -0.604 1.855 -3.611 1.00 0.00 O ATOM 489 CB ARG A 32 -3.683 1.162 -4.819 1.00 0.00 C ATOM 490 CG ARG A 32 -5.080 1.611 -5.215 1.00 0.00 C ATOM 491 CD ARG A 32 -5.598 0.830 -6.412 1.00 0.00 C ATOM 492 NE ARG A 32 -6.326 -0.371 -6.008 1.00 0.00 N ATOM 493 CZ ARG A 32 -7.250 -0.957 -6.761 1.00 0.00 C ATOM 494 NH1 ARG A 32 -7.558 -0.457 -7.949 1.00 0.00 N ATOM 495 NH2 ARG A 32 -7.869 -2.047 -6.324 1.00 0.00 N ATOM 0 H ARG A 32 -1.805 3.313 -5.130 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.650 2.365 -3.039 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.078 1.049 -5.719 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.745 0.179 -4.352 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.758 1.479 -4.372 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.068 2.675 -5.451 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.252 1.468 -7.006 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.761 0.549 -7.051 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.113 -0.781 -5.099 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.085 0.381 -8.288 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.268 -0.910 -8.524 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.635 -2.435 -5.410 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.579 -2.497 -6.902 1.00 0.00 H new ATOM 509 N VAL A 33 -1.929 0.463 -2.440 1.00 0.00 N ATOM 510 CA VAL A 33 -0.818 -0.252 -1.823 1.00 0.00 C ATOM 511 C VAL A 33 -0.140 -1.182 -2.823 1.00 0.00 C ATOM 512 O VAL A 33 -0.803 -1.836 -3.627 1.00 0.00 O ATOM 513 CB VAL A 33 -1.285 -1.075 -0.608 1.00 0.00 C ATOM 514 CG1 VAL A 33 -0.109 -1.794 0.034 1.00 0.00 C ATOM 515 CG2 VAL A 33 -1.991 -0.182 0.400 1.00 0.00 C ATOM 0 H VAL A 33 -2.852 0.128 -2.163 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.104 0.501 -1.489 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.995 -1.827 -0.951 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.459 -2.370 0.891 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.348 -2.466 -0.693 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.628 -1.062 0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.314 -0.780 1.252 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.306 0.595 0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.859 0.280 -0.069 1.00 0.00 H new ATOM 525 N ALA A 34 1.187 -1.236 -2.767 1.00 0.00 N ATOM 526 CA ALA A 34 1.956 -2.088 -3.666 1.00 0.00 C ATOM 527 C ALA A 34 2.837 -3.057 -2.885 1.00 0.00 C ATOM 528 O ALA A 34 2.921 -2.986 -1.658 1.00 0.00 O ATOM 529 CB ALA A 34 2.803 -1.239 -4.602 1.00 0.00 C ATOM 0 H ALA A 34 1.752 -0.700 -2.108 1.00 0.00 H new ATOM 0 HA ALA A 34 1.254 -2.674 -4.260 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.372 -1.888 -5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.155 -0.592 -5.193 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.490 -0.628 -4.017 1.00 0.00 H new ATOM 535 N THR A 35 3.493 -3.963 -3.603 1.00 0.00 N ATOM 536 CA THR A 35 4.366 -4.948 -2.977 1.00 0.00 C ATOM 537 C THR A 35 5.646 -5.139 -3.782 1.00 0.00 C ATOM 538 O THR A 35 5.618 -5.659 -4.897 1.00 0.00 O ATOM 539 CB THR A 35 3.660 -6.309 -2.825 1.00 0.00 C ATOM 540 OG1 THR A 35 2.403 -6.138 -2.162 1.00 0.00 O ATOM 541 CG2 THR A 35 4.526 -7.283 -2.040 1.00 0.00 C ATOM 0 H THR A 35 3.436 -4.035 -4.619 1.00 0.00 H new ATOM 0 HA THR A 35 4.616 -4.565 -1.988 1.00 0.00 H new ATOM 0 HB THR A 35 3.491 -6.719 -3.821 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.960 -7.008 -2.071 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.007 -8.237 -1.945 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.470 -7.434 -2.564 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.722 -6.877 -1.048 1.00 0.00 H new ATOM 549 N VAL A 36 6.768 -4.715 -3.210 1.00 0.00 N ATOM 550 CA VAL A 36 8.060 -4.841 -3.875 1.00 0.00 C ATOM 551 C VAL A 36 8.435 -6.305 -4.074 1.00 0.00 C ATOM 552 O VAL A 36 8.842 -6.985 -3.132 1.00 0.00 O ATOM 553 CB VAL A 36 9.174 -4.141 -3.073 1.00 0.00 C ATOM 554 CG1 VAL A 36 10.429 -3.992 -3.920 1.00 0.00 C ATOM 555 CG2 VAL A 36 8.697 -2.787 -2.569 1.00 0.00 C ATOM 0 H VAL A 36 6.809 -4.281 -2.288 1.00 0.00 H new ATOM 0 HA VAL A 36 7.964 -4.358 -4.848 1.00 0.00 H new ATOM 0 HB VAL A 36 9.419 -4.759 -2.209 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.205 -3.496 -3.337 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.780 -4.977 -4.227 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.203 -3.396 -4.804 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.496 -2.307 -2.005 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.423 -2.159 -3.417 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.829 -2.924 -1.924 1.00 0.00 H new ATOM 565 N ALA A 37 8.296 -6.783 -5.306 1.00 0.00 N ATOM 566 CA ALA A 37 8.623 -8.166 -5.629 1.00 0.00 C ATOM 567 C ALA A 37 10.128 -8.351 -5.794 1.00 0.00 C ATOM 568 O ALA A 37 10.707 -9.301 -5.268 1.00 0.00 O ATOM 569 CB ALA A 37 7.895 -8.599 -6.893 1.00 0.00 C ATOM 0 H ALA A 37 7.959 -6.233 -6.096 1.00 0.00 H new ATOM 0 HA ALA A 37 8.295 -8.793 -4.800 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.149 -9.634 -7.122 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.819 -8.514 -6.740 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.195 -7.959 -7.723 1.00 0.00 H new ATOM 575 N ASP A 38 10.754 -7.437 -6.527 1.00 0.00 N ATOM 576 CA ASP A 38 12.192 -7.500 -6.761 1.00 0.00 C ATOM 577 C ASP A 38 12.787 -6.098 -6.864 1.00 0.00 C ATOM 578 O ASP A 38 12.202 -5.207 -7.481 1.00 0.00 O ATOM 579 CB ASP A 38 12.490 -8.289 -8.037 1.00 0.00 C ATOM 580 CG ASP A 38 13.825 -9.004 -7.977 1.00 0.00 C ATOM 581 OD1 ASP A 38 14.767 -8.453 -7.368 1.00 0.00 O ATOM 582 OD2 ASP A 38 13.929 -10.114 -8.539 1.00 0.00 O ATOM 0 H ASP A 38 10.289 -6.644 -6.969 1.00 0.00 H new ATOM 0 HA ASP A 38 12.651 -8.010 -5.914 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.697 -9.019 -8.203 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.482 -7.611 -8.890 1.00 0.00 H new ATOM 587 N THR A 39 13.954 -5.910 -6.256 1.00 0.00 N ATOM 588 CA THR A 39 14.627 -4.617 -6.278 1.00 0.00 C ATOM 589 C THR A 39 15.804 -4.627 -7.246 1.00 0.00 C ATOM 590 O THR A 39 16.826 -5.264 -6.989 1.00 0.00 O ATOM 591 CB THR A 39 15.132 -4.223 -4.877 1.00 0.00 C ATOM 592 OG1 THR A 39 16.018 -5.230 -4.374 1.00 0.00 O ATOM 593 CG2 THR A 39 13.968 -4.038 -3.914 1.00 0.00 C ATOM 0 H THR A 39 14.453 -6.637 -5.742 1.00 0.00 H new ATOM 0 HA THR A 39 13.893 -3.884 -6.611 1.00 0.00 H new ATOM 0 HB THR A 39 15.668 -3.277 -4.961 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.589 -5.556 -5.101 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.349 -3.760 -2.931 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.311 -3.251 -4.284 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.409 -4.970 -3.836 1.00 0.00 H new ATOM 601 N ASP A 40 15.655 -3.916 -8.358 1.00 0.00 N ATOM 602 CA ASP A 40 16.708 -3.841 -9.364 1.00 0.00 C ATOM 603 C ASP A 40 17.815 -2.889 -8.923 1.00 0.00 C ATOM 604 O ASP A 40 17.740 -2.289 -7.850 1.00 0.00 O ATOM 605 CB ASP A 40 16.130 -3.385 -10.705 1.00 0.00 C ATOM 606 CG ASP A 40 16.897 -3.945 -11.887 1.00 0.00 C ATOM 607 OD1 ASP A 40 16.808 -5.168 -12.125 1.00 0.00 O ATOM 608 OD2 ASP A 40 17.584 -3.161 -12.573 1.00 0.00 O ATOM 0 H ASP A 40 14.815 -3.383 -8.586 1.00 0.00 H new ATOM 0 HA ASP A 40 17.136 -4.837 -9.481 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.087 -3.696 -10.772 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.142 -2.296 -10.751 1.00 0.00 H new ATOM 613 N ASP A 41 18.841 -2.756 -9.756 1.00 0.00 N ATOM 614 CA ASP A 41 19.964 -1.876 -9.452 1.00 0.00 C ATOM 615 C ASP A 41 19.473 -0.507 -8.992 1.00 0.00 C ATOM 616 O ASP A 41 19.808 -0.051 -7.899 1.00 0.00 O ATOM 617 CB ASP A 41 20.866 -1.723 -10.678 1.00 0.00 C ATOM 618 CG ASP A 41 21.350 -3.058 -11.210 1.00 0.00 C ATOM 619 OD1 ASP A 41 20.574 -3.730 -11.922 1.00 0.00 O ATOM 620 OD2 ASP A 41 22.505 -3.429 -10.917 1.00 0.00 O ATOM 0 H ASP A 41 18.919 -3.246 -10.647 1.00 0.00 H new ATOM 0 HA ASP A 41 20.538 -2.327 -8.642 1.00 0.00 H new ATOM 0 HB2 ASP A 41 20.322 -1.198 -11.463 1.00 0.00 H new ATOM 0 HB3 ASP A 41 21.726 -1.105 -10.418 1.00 0.00 H new ATOM 625 N HIS A 42 18.678 0.145 -9.835 1.00 0.00 N ATOM 626 CA HIS A 42 18.141 1.462 -9.516 1.00 0.00 C ATOM 627 C HIS A 42 16.627 1.492 -9.701 1.00 0.00 C ATOM 628 O HIS A 42 16.025 2.561 -9.804 1.00 0.00 O ATOM 629 CB HIS A 42 18.795 2.530 -10.394 1.00 0.00 C ATOM 630 CG HIS A 42 20.200 2.198 -10.794 1.00 0.00 C ATOM 631 ND1 HIS A 42 21.306 2.770 -10.201 1.00 0.00 N ATOM 632 CD2 HIS A 42 20.675 1.346 -11.732 1.00 0.00 C ATOM 633 CE1 HIS A 42 22.401 2.286 -10.759 1.00 0.00 C ATOM 634 NE2 HIS A 42 22.046 1.419 -11.691 1.00 0.00 N ATOM 0 H HIS A 42 18.392 -0.218 -10.744 1.00 0.00 H new ATOM 0 HA HIS A 42 18.366 1.674 -8.471 1.00 0.00 H new ATOM 0 HB2 HIS A 42 18.193 2.669 -11.292 1.00 0.00 H new ATOM 0 HB3 HIS A 42 18.793 3.480 -9.859 1.00 0.00 H new ATOM 0 HD2 HIS A 42 20.086 0.725 -12.390 1.00 0.00 H new ATOM 0 HE1 HIS A 42 23.414 2.553 -10.498 1.00 0.00 H new ATOM 0 HE2 HIS A 42 22.686 0.890 -12.284 1.00 0.00 H new ATOM 643 N ARG A 43 16.018 0.311 -9.744 1.00 0.00 N ATOM 644 CA ARG A 43 14.575 0.202 -9.919 1.00 0.00 C ATOM 645 C ARG A 43 13.997 -0.881 -9.012 1.00 0.00 C ATOM 646 O ARG A 43 14.737 -1.640 -8.385 1.00 0.00 O ATOM 647 CB ARG A 43 14.239 -0.108 -11.379 1.00 0.00 C ATOM 648 CG ARG A 43 14.893 0.842 -12.369 1.00 0.00 C ATOM 649 CD ARG A 43 14.190 0.813 -13.717 1.00 0.00 C ATOM 650 NE ARG A 43 14.998 1.421 -14.770 1.00 0.00 N ATOM 651 CZ ARG A 43 16.036 0.819 -15.341 1.00 0.00 C ATOM 652 NH1 ARG A 43 16.388 -0.402 -14.963 1.00 0.00 N ATOM 653 NH2 ARG A 43 16.722 1.438 -16.292 1.00 0.00 N ATOM 0 H ARG A 43 16.502 -0.583 -9.660 1.00 0.00 H new ATOM 0 HA ARG A 43 14.128 1.158 -9.645 1.00 0.00 H new ATOM 0 HB2 ARG A 43 14.551 -1.127 -11.606 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.158 -0.069 -11.510 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.874 1.856 -11.969 1.00 0.00 H new ATOM 0 HG3 ARG A 43 15.941 0.570 -12.498 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.963 -0.219 -13.985 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.239 1.339 -13.641 1.00 0.00 H new ATOM 0 HE ARG A 43 14.752 2.360 -15.085 1.00 0.00 H new ATOM 0 HH11 ARG A 43 15.862 -0.881 -14.232 1.00 0.00 H new ATOM 0 HH12 ARG A 43 17.185 -0.862 -15.403 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.453 2.377 -16.586 1.00 0.00 H new ATOM 0 HH22 ARG A 43 17.519 0.975 -16.730 1.00 0.00 H new ATOM 667 N VAL A 44 12.671 -0.946 -8.947 1.00 0.00 N ATOM 668 CA VAL A 44 11.994 -1.936 -8.118 1.00 0.00 C ATOM 669 C VAL A 44 10.642 -2.317 -8.710 1.00 0.00 C ATOM 670 O VAL A 44 9.844 -1.452 -9.071 1.00 0.00 O ATOM 671 CB VAL A 44 11.786 -1.418 -6.682 1.00 0.00 C ATOM 672 CG1 VAL A 44 13.120 -1.062 -6.045 1.00 0.00 C ATOM 673 CG2 VAL A 44 10.848 -0.221 -6.679 1.00 0.00 C ATOM 0 H VAL A 44 12.044 -0.325 -9.459 1.00 0.00 H new ATOM 0 HA VAL A 44 12.636 -2.817 -8.089 1.00 0.00 H new ATOM 0 HB VAL A 44 11.328 -2.211 -6.090 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.953 -0.698 -5.031 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.756 -1.947 -6.013 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.609 -0.285 -6.634 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.712 0.132 -5.657 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.275 0.578 -7.285 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.883 -0.514 -7.093 1.00 0.00 H new ATOM 683 N LYS A 45 10.390 -3.618 -8.807 1.00 0.00 N ATOM 684 CA LYS A 45 9.133 -4.116 -9.354 1.00 0.00 C ATOM 685 C LYS A 45 8.006 -3.982 -8.335 1.00 0.00 C ATOM 686 O LYS A 45 7.954 -4.720 -7.351 1.00 0.00 O ATOM 687 CB LYS A 45 9.281 -5.579 -9.778 1.00 0.00 C ATOM 688 CG LYS A 45 8.185 -6.054 -10.715 1.00 0.00 C ATOM 689 CD LYS A 45 8.626 -7.267 -11.518 1.00 0.00 C ATOM 690 CE LYS A 45 7.891 -7.352 -12.847 1.00 0.00 C ATOM 691 NZ LYS A 45 8.197 -6.188 -13.725 1.00 0.00 N ATOM 0 H LYS A 45 11.040 -4.347 -8.514 1.00 0.00 H new ATOM 0 HA LYS A 45 8.882 -3.515 -10.228 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.247 -5.711 -10.265 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.284 -6.208 -8.888 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.294 -6.302 -10.138 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.910 -5.247 -11.394 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.700 -7.215 -11.697 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.443 -8.173 -10.941 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.168 -8.275 -13.357 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.817 -7.398 -12.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.940 -6.416 -14.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.652 -5.361 -13.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.213 -5.973 -13.675 1.00 0.00 H new ATOM 705 N VAL A 46 7.104 -3.037 -8.578 1.00 0.00 N ATOM 706 CA VAL A 46 5.976 -2.808 -7.683 1.00 0.00 C ATOM 707 C VAL A 46 4.751 -3.598 -8.130 1.00 0.00 C ATOM 708 O VAL A 46 4.182 -3.336 -9.190 1.00 0.00 O ATOM 709 CB VAL A 46 5.610 -1.314 -7.610 1.00 0.00 C ATOM 710 CG1 VAL A 46 6.669 -0.542 -6.837 1.00 0.00 C ATOM 711 CG2 VAL A 46 5.435 -0.740 -9.008 1.00 0.00 C ATOM 0 H VAL A 46 7.132 -2.417 -9.388 1.00 0.00 H new ATOM 0 HA VAL A 46 6.284 -3.147 -6.694 1.00 0.00 H new ATOM 0 HB VAL A 46 4.663 -1.215 -7.080 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.393 0.512 -6.796 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.741 -0.938 -5.824 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.632 -0.646 -7.337 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.177 0.317 -8.938 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.365 -0.850 -9.565 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.638 -1.275 -9.524 1.00 0.00 H new ATOM 721 N HIS A 47 4.349 -4.568 -7.314 1.00 0.00 N ATOM 722 CA HIS A 47 3.190 -5.397 -7.625 1.00 0.00 C ATOM 723 C HIS A 47 1.995 -5.006 -6.761 1.00 0.00 C ATOM 724 O HIS A 47 2.086 -4.979 -5.533 1.00 0.00 O ATOM 725 CB HIS A 47 3.523 -6.875 -7.417 1.00 0.00 C ATOM 726 CG HIS A 47 2.313 -7.745 -7.262 1.00 0.00 C ATOM 727 ND1 HIS A 47 1.877 -8.609 -8.244 1.00 0.00 N ATOM 728 CD2 HIS A 47 1.448 -7.883 -6.230 1.00 0.00 C ATOM 729 CE1 HIS A 47 0.794 -9.239 -7.824 1.00 0.00 C ATOM 730 NE2 HIS A 47 0.514 -8.817 -6.604 1.00 0.00 N ATOM 0 H HIS A 47 4.809 -4.799 -6.433 1.00 0.00 H new ATOM 0 HA HIS A 47 2.928 -5.235 -8.671 1.00 0.00 H new ATOM 0 HB2 HIS A 47 4.109 -7.230 -8.265 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.150 -6.977 -6.531 1.00 0.00 H new ATOM 0 HD1 HIS A 47 2.321 -8.741 -9.153 1.00 0.00 H new ATOM 0 HD2 HIS A 47 1.486 -7.356 -5.288 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.233 -9.974 -8.383 1.00 0.00 H new ATOM 739 N PHE A 48 0.875 -4.704 -7.409 1.00 0.00 N ATOM 740 CA PHE A 48 -0.338 -4.313 -6.700 1.00 0.00 C ATOM 741 C PHE A 48 -1.090 -5.539 -6.192 1.00 0.00 C ATOM 742 O PHE A 48 -1.546 -6.370 -6.978 1.00 0.00 O ATOM 743 CB PHE A 48 -1.244 -3.486 -7.614 1.00 0.00 C ATOM 744 CG PHE A 48 -0.776 -2.071 -7.803 1.00 0.00 C ATOM 745 CD1 PHE A 48 0.532 -1.804 -8.176 1.00 0.00 C ATOM 746 CD2 PHE A 48 -1.643 -1.009 -7.607 1.00 0.00 C ATOM 747 CE1 PHE A 48 0.966 -0.504 -8.351 1.00 0.00 C ATOM 748 CE2 PHE A 48 -1.215 0.294 -7.781 1.00 0.00 C ATOM 749 CZ PHE A 48 0.091 0.547 -8.152 1.00 0.00 C ATOM 0 H PHE A 48 0.782 -4.723 -8.425 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.048 -3.706 -5.842 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.306 -3.973 -8.587 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.252 -3.474 -7.199 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.220 -2.622 -8.332 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.665 -1.201 -7.315 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.987 -0.309 -8.643 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.901 1.113 -7.627 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.428 1.564 -8.286 1.00 0.00 H new ATOM 759 N ASP A 49 -1.215 -5.645 -4.874 1.00 0.00 N ATOM 760 CA ASP A 49 -1.913 -6.769 -4.260 1.00 0.00 C ATOM 761 C ASP A 49 -3.253 -7.016 -4.945 1.00 0.00 C ATOM 762 O ASP A 49 -4.137 -6.160 -4.931 1.00 0.00 O ATOM 763 CB ASP A 49 -2.128 -6.509 -2.768 1.00 0.00 C ATOM 764 CG ASP A 49 -3.055 -7.527 -2.132 1.00 0.00 C ATOM 765 OD1 ASP A 49 -4.285 -7.392 -2.295 1.00 0.00 O ATOM 766 OD2 ASP A 49 -2.549 -8.457 -1.469 1.00 0.00 O ATOM 0 H ASP A 49 -0.842 -4.966 -4.210 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.295 -7.659 -4.380 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.166 -6.528 -2.256 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.542 -5.510 -2.632 1.00 0.00 H new ATOM 771 N GLY A 50 -3.397 -8.194 -5.546 1.00 0.00 N ATOM 772 CA GLY A 50 -4.632 -8.532 -6.229 1.00 0.00 C ATOM 773 C GLY A 50 -4.534 -8.347 -7.730 1.00 0.00 C ATOM 774 O GLY A 50 -5.037 -9.168 -8.497 1.00 0.00 O ATOM 0 H GLY A 50 -2.681 -8.920 -5.572 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.893 -9.567 -6.010 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.440 -7.911 -5.841 1.00 0.00 H new ATOM 778 N TRP A 51 -3.885 -7.267 -8.150 1.00 0.00 N ATOM 779 CA TRP A 51 -3.724 -6.977 -9.570 1.00 0.00 C ATOM 780 C TRP A 51 -2.998 -8.114 -10.280 1.00 0.00 C ATOM 781 O TRP A 51 -2.123 -8.758 -9.704 1.00 0.00 O ATOM 782 CB TRP A 51 -2.956 -5.668 -9.760 1.00 0.00 C ATOM 783 CG TRP A 51 -3.700 -4.465 -9.264 1.00 0.00 C ATOM 784 CD1 TRP A 51 -4.551 -4.410 -8.198 1.00 0.00 C ATOM 785 CD2 TRP A 51 -3.660 -3.145 -9.817 1.00 0.00 C ATOM 786 NE1 TRP A 51 -5.043 -3.135 -8.054 1.00 0.00 N ATOM 787 CE2 TRP A 51 -4.511 -2.340 -9.035 1.00 0.00 C ATOM 788 CE3 TRP A 51 -2.988 -2.564 -10.896 1.00 0.00 C ATOM 789 CZ2 TRP A 51 -4.706 -0.987 -9.300 1.00 0.00 C ATOM 790 CZ3 TRP A 51 -3.182 -1.221 -11.157 1.00 0.00 C ATOM 791 CH2 TRP A 51 -4.035 -0.445 -10.362 1.00 0.00 C ATOM 0 H TRP A 51 -3.462 -6.578 -7.528 1.00 0.00 H new ATOM 0 HA TRP A 51 -4.717 -6.875 -10.009 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -2.001 -5.736 -9.238 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -2.732 -5.537 -10.819 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -4.801 -5.246 -7.561 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -5.698 -2.830 -7.334 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -2.329 -3.154 -11.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -5.364 -0.387 -8.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.667 -0.762 -11.988 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -4.166 0.602 -10.592 1.00 0.00 H new ATOM 841 N TYR A 55 -0.185 -6.426 -14.840 1.00 0.00 N ATOM 842 CA TYR A 55 -0.234 -5.052 -14.353 1.00 0.00 C ATOM 843 C TYR A 55 1.140 -4.595 -13.871 1.00 0.00 C ATOM 844 O TYR A 55 1.661 -3.576 -14.323 1.00 0.00 O ATOM 845 CB TYR A 55 -1.252 -4.928 -13.218 1.00 0.00 C ATOM 846 CG TYR A 55 -2.647 -4.584 -13.690 1.00 0.00 C ATOM 847 CD1 TYR A 55 -2.938 -3.324 -14.196 1.00 0.00 C ATOM 848 CD2 TYR A 55 -3.672 -5.519 -13.629 1.00 0.00 C ATOM 849 CE1 TYR A 55 -4.211 -3.004 -14.628 1.00 0.00 C ATOM 850 CE2 TYR A 55 -4.948 -5.209 -14.060 1.00 0.00 C ATOM 851 CZ TYR A 55 -5.212 -3.951 -14.558 1.00 0.00 C ATOM 852 OH TYR A 55 -6.482 -3.638 -14.987 1.00 0.00 O ATOM 0 HA TYR A 55 -0.540 -4.411 -15.180 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.285 -5.868 -12.667 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.914 -4.162 -12.520 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.156 -2.581 -14.253 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.469 -6.505 -13.238 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.421 -2.019 -15.018 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.734 -5.948 -14.007 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.067 -4.415 -14.871 1.00 0.00 H new ATOM 862 N ASP A 56 1.720 -5.358 -12.951 1.00 0.00 N ATOM 863 CA ASP A 56 3.035 -5.034 -12.409 1.00 0.00 C ATOM 864 C ASP A 56 3.919 -4.393 -13.473 1.00 0.00 C ATOM 865 O ASP A 56 3.800 -4.698 -14.660 1.00 0.00 O ATOM 866 CB ASP A 56 3.707 -6.292 -11.859 1.00 0.00 C ATOM 867 CG ASP A 56 2.734 -7.198 -11.130 1.00 0.00 C ATOM 868 OD1 ASP A 56 1.725 -6.683 -10.603 1.00 0.00 O ATOM 869 OD2 ASP A 56 2.981 -8.421 -11.086 1.00 0.00 O ATOM 0 H ASP A 56 1.301 -6.204 -12.565 1.00 0.00 H new ATOM 0 HA ASP A 56 2.900 -4.319 -11.597 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.167 -6.843 -12.680 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.509 -6.004 -11.180 1.00 0.00 H new ATOM 874 N TYR A 57 4.805 -3.502 -13.041 1.00 0.00 N ATOM 875 CA TYR A 57 5.708 -2.815 -13.957 1.00 0.00 C ATOM 876 C TYR A 57 6.971 -2.357 -13.236 1.00 0.00 C ATOM 877 O TYR A 57 6.938 -2.032 -12.049 1.00 0.00 O ATOM 878 CB TYR A 57 5.006 -1.614 -14.593 1.00 0.00 C ATOM 879 CG TYR A 57 4.262 -0.752 -13.599 1.00 0.00 C ATOM 880 CD1 TYR A 57 4.945 -0.018 -12.638 1.00 0.00 C ATOM 881 CD2 TYR A 57 2.875 -0.670 -13.622 1.00 0.00 C ATOM 882 CE1 TYR A 57 4.269 0.771 -11.727 1.00 0.00 C ATOM 883 CE2 TYR A 57 2.190 0.117 -12.716 1.00 0.00 C ATOM 884 CZ TYR A 57 2.892 0.835 -11.770 1.00 0.00 C ATOM 885 OH TYR A 57 2.215 1.621 -10.866 1.00 0.00 O ATOM 0 H TYR A 57 4.917 -3.239 -12.062 1.00 0.00 H new ATOM 0 HA TYR A 57 5.994 -3.517 -14.740 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.746 -1.003 -15.109 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.305 -1.971 -15.348 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.023 -0.065 -12.602 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.323 -1.231 -14.361 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.816 1.334 -10.985 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.112 0.170 -12.748 1.00 0.00 H new ATOM 0 HH TYR A 57 1.825 1.055 -10.167 1.00 0.00 H new ATOM 895 N TRP A 58 8.083 -2.333 -13.962 1.00 0.00 N ATOM 896 CA TRP A 58 9.359 -1.913 -13.392 1.00 0.00 C ATOM 897 C TRP A 58 9.412 -0.398 -13.233 1.00 0.00 C ATOM 898 O TRP A 58 9.571 0.333 -14.212 1.00 0.00 O ATOM 899 CB TRP A 58 10.515 -2.387 -14.274 1.00 0.00 C ATOM 900 CG TRP A 58 10.975 -3.777 -13.954 1.00 0.00 C ATOM 901 CD1 TRP A 58 10.820 -4.890 -14.730 1.00 0.00 C ATOM 902 CD2 TRP A 58 11.662 -4.202 -12.772 1.00 0.00 C ATOM 903 NE1 TRP A 58 11.370 -5.982 -14.102 1.00 0.00 N ATOM 904 CE2 TRP A 58 11.894 -5.586 -12.900 1.00 0.00 C ATOM 905 CE3 TRP A 58 12.106 -3.548 -11.620 1.00 0.00 C ATOM 906 CZ2 TRP A 58 12.548 -6.324 -11.917 1.00 0.00 C ATOM 907 CZ3 TRP A 58 12.755 -4.282 -10.646 1.00 0.00 C ATOM 908 CH2 TRP A 58 12.972 -5.658 -10.799 1.00 0.00 C ATOM 0 H TRP A 58 8.127 -2.599 -14.946 1.00 0.00 H new ATOM 0 HA TRP A 58 9.455 -2.366 -12.405 1.00 0.00 H new ATOM 0 HB2 TRP A 58 10.206 -2.346 -15.319 1.00 0.00 H new ATOM 0 HB3 TRP A 58 11.354 -1.700 -14.162 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.336 -4.909 -15.695 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.385 -6.933 -14.471 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.945 -2.488 -11.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.715 -7.385 -12.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.101 -3.787 -9.751 1.00 0.00 H new ATOM 0 HH2 TRP A 58 13.484 -6.203 -10.020 1.00 0.00 H new ATOM 919 N ILE A 59 9.279 0.069 -11.996 1.00 0.00 N ATOM 920 CA ILE A 59 9.313 1.497 -11.711 1.00 0.00 C ATOM 921 C ILE A 59 10.613 1.888 -11.015 1.00 0.00 C ATOM 922 O ILE A 59 11.141 1.135 -10.197 1.00 0.00 O ATOM 923 CB ILE A 59 8.124 1.925 -10.830 1.00 0.00 C ATOM 924 CG1 ILE A 59 7.938 3.442 -10.889 1.00 0.00 C ATOM 925 CG2 ILE A 59 8.336 1.466 -9.395 1.00 0.00 C ATOM 926 CD1 ILE A 59 6.634 3.915 -10.284 1.00 0.00 C ATOM 0 H ILE A 59 9.147 -0.522 -11.175 1.00 0.00 H new ATOM 0 HA ILE A 59 9.247 2.011 -12.670 1.00 0.00 H new ATOM 0 HB ILE A 59 7.219 1.452 -11.211 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.766 3.922 -10.368 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.985 3.766 -11.929 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.488 1.776 -8.785 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.424 0.380 -9.370 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.249 1.913 -9.001 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.570 5.000 -10.361 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.799 3.463 -10.820 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.592 3.622 -9.235 1.00 0.00 H new ATOM 938 N ASP A 60 11.121 3.070 -11.345 1.00 0.00 N ATOM 939 CA ASP A 60 12.358 3.563 -10.749 1.00 0.00 C ATOM 940 C ASP A 60 12.137 3.969 -9.296 1.00 0.00 C ATOM 941 O ASP A 60 11.305 4.826 -9.000 1.00 0.00 O ATOM 942 CB ASP A 60 12.895 4.752 -11.548 1.00 0.00 C ATOM 943 CG ASP A 60 13.333 4.360 -12.946 1.00 0.00 C ATOM 944 OD1 ASP A 60 12.457 4.224 -13.825 1.00 0.00 O ATOM 945 OD2 ASP A 60 14.551 4.189 -13.160 1.00 0.00 O ATOM 0 H ASP A 60 10.696 3.704 -12.021 1.00 0.00 H new ATOM 0 HA ASP A 60 13.091 2.757 -10.774 1.00 0.00 H new ATOM 0 HB2 ASP A 60 12.124 5.520 -11.614 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.739 5.192 -11.016 1.00 0.00 H new ATOM 950 N ALA A 61 12.887 3.346 -8.392 1.00 0.00 N ATOM 951 CA ALA A 61 12.774 3.643 -6.970 1.00 0.00 C ATOM 952 C ALA A 61 12.949 5.135 -6.705 1.00 0.00 C ATOM 953 O ALA A 61 12.277 5.706 -5.846 1.00 0.00 O ATOM 954 CB ALA A 61 13.798 2.841 -6.180 1.00 0.00 C ATOM 0 H ALA A 61 13.579 2.632 -8.620 1.00 0.00 H new ATOM 0 HA ALA A 61 11.774 3.357 -6.643 1.00 0.00 H new ATOM 0 HB1 ALA A 61 13.702 3.073 -5.119 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.625 1.776 -6.336 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.802 3.099 -6.518 1.00 0.00 H new ATOM 960 N ASP A 62 13.856 5.760 -7.447 1.00 0.00 N ATOM 961 CA ASP A 62 14.119 7.186 -7.292 1.00 0.00 C ATOM 962 C ASP A 62 12.969 8.015 -7.855 1.00 0.00 C ATOM 963 O ASP A 62 13.018 9.245 -7.854 1.00 0.00 O ATOM 964 CB ASP A 62 15.426 7.564 -7.991 1.00 0.00 C ATOM 965 CG ASP A 62 16.629 6.867 -7.385 1.00 0.00 C ATOM 966 OD1 ASP A 62 16.885 5.701 -7.751 1.00 0.00 O ATOM 967 OD2 ASP A 62 17.314 7.488 -6.546 1.00 0.00 O ATOM 0 H ASP A 62 14.421 5.302 -8.162 1.00 0.00 H new ATOM 0 HA ASP A 62 14.210 7.400 -6.227 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.356 7.309 -9.048 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.567 8.643 -7.932 1.00 0.00 H new ATOM 972 N SER A 63 11.935 7.333 -8.338 1.00 0.00 N ATOM 973 CA SER A 63 10.774 8.006 -8.909 1.00 0.00 C ATOM 974 C SER A 63 9.999 8.759 -7.832 1.00 0.00 C ATOM 975 O SER A 63 9.727 8.241 -6.749 1.00 0.00 O ATOM 976 CB SER A 63 9.859 6.993 -9.598 1.00 0.00 C ATOM 977 OG SER A 63 8.831 7.646 -10.324 1.00 0.00 O ATOM 0 H SER A 63 11.878 6.315 -8.345 1.00 0.00 H new ATOM 0 HA SER A 63 11.128 8.725 -9.647 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.445 6.369 -10.273 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.418 6.331 -8.853 1.00 0.00 H new ATOM 0 HG SER A 63 8.227 8.099 -9.700 1.00 0.00 H new ATOM 983 N PRO A 64 9.634 10.014 -8.135 1.00 0.00 N ATOM 984 CA PRO A 64 8.884 10.866 -7.208 1.00 0.00 C ATOM 985 C PRO A 64 7.448 10.390 -7.015 1.00 0.00 C ATOM 986 O PRO A 64 6.819 10.681 -5.997 1.00 0.00 O ATOM 987 CB PRO A 64 8.906 12.237 -7.889 1.00 0.00 C ATOM 988 CG PRO A 64 9.077 11.937 -9.338 1.00 0.00 C ATOM 989 CD PRO A 64 9.924 10.697 -9.407 1.00 0.00 C ATOM 0 HA PRO A 64 9.320 10.864 -6.209 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.982 12.786 -7.705 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.723 12.853 -7.513 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.112 11.778 -9.820 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.558 12.768 -9.854 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.661 10.078 -10.265 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.983 10.938 -9.501 1.00 0.00 H new ATOM 997 N ASP A 65 6.936 9.658 -7.997 1.00 0.00 N ATOM 998 CA ASP A 65 5.574 9.140 -7.934 1.00 0.00 C ATOM 999 C ASP A 65 5.431 8.120 -6.809 1.00 0.00 C ATOM 1000 O ASP A 65 4.381 8.025 -6.173 1.00 0.00 O ATOM 1001 CB ASP A 65 5.186 8.502 -9.269 1.00 0.00 C ATOM 1002 CG ASP A 65 5.754 9.254 -10.457 1.00 0.00 C ATOM 1003 OD1 ASP A 65 6.989 9.429 -10.512 1.00 0.00 O ATOM 1004 OD2 ASP A 65 4.963 9.668 -11.331 1.00 0.00 O ATOM 0 H ASP A 65 7.443 9.409 -8.847 1.00 0.00 H new ATOM 0 HA ASP A 65 4.904 9.975 -7.730 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.540 7.471 -9.292 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.100 8.468 -9.350 1.00 0.00 H new ATOM 1009 N ILE A 66 6.494 7.359 -6.569 1.00 0.00 N ATOM 1010 CA ILE A 66 6.487 6.347 -5.520 1.00 0.00 C ATOM 1011 C ILE A 66 6.310 6.981 -4.145 1.00 0.00 C ATOM 1012 O ILE A 66 7.008 7.933 -3.793 1.00 0.00 O ATOM 1013 CB ILE A 66 7.785 5.519 -5.528 1.00 0.00 C ATOM 1014 CG1 ILE A 66 7.872 4.677 -6.803 1.00 0.00 C ATOM 1015 CG2 ILE A 66 7.855 4.631 -4.295 1.00 0.00 C ATOM 1016 CD1 ILE A 66 9.175 3.923 -6.941 1.00 0.00 C ATOM 0 H ILE A 66 7.370 7.424 -7.087 1.00 0.00 H new ATOM 0 HA ILE A 66 5.644 5.687 -5.724 1.00 0.00 H new ATOM 0 HB ILE A 66 8.634 6.203 -5.508 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.047 3.965 -6.816 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.745 5.328 -7.668 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.778 4.052 -4.315 1.00 0.00 H new ATOM 0 HG22 ILE A 66 7.835 5.251 -3.399 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.002 3.953 -4.286 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.166 3.348 -7.867 1.00 0.00 H new ATOM 0 HD12 ILE A 66 10.004 4.630 -6.960 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.295 3.246 -6.095 1.00 0.00 H new ATOM 1028 N HIS A 67 5.372 6.447 -3.369 1.00 0.00 N ATOM 1029 CA HIS A 67 5.104 6.959 -2.030 1.00 0.00 C ATOM 1030 C HIS A 67 5.106 5.829 -1.005 1.00 0.00 C ATOM 1031 O HIS A 67 4.643 4.719 -1.269 1.00 0.00 O ATOM 1032 CB HIS A 67 3.761 7.689 -1.999 1.00 0.00 C ATOM 1033 CG HIS A 67 3.652 8.786 -3.013 1.00 0.00 C ATOM 1034 ND1 HIS A 67 4.459 9.903 -3.003 1.00 0.00 N ATOM 1035 CD2 HIS A 67 2.824 8.931 -4.074 1.00 0.00 C ATOM 1036 CE1 HIS A 67 4.132 10.689 -4.013 1.00 0.00 C ATOM 1037 NE2 HIS A 67 3.142 10.122 -4.679 1.00 0.00 N ATOM 0 H HIS A 67 4.785 5.660 -3.645 1.00 0.00 H new ATOM 0 HA HIS A 67 5.897 7.661 -1.772 1.00 0.00 H new ATOM 0 HB2 HIS A 67 2.961 6.968 -2.168 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.607 8.108 -1.005 1.00 0.00 H new ATOM 0 HD1 HIS A 67 5.194 10.093 -2.322 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.056 8.239 -4.387 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.595 11.634 -4.253 1.00 0.00 H new ATOM 1046 N PRO A 68 5.640 6.115 0.192 1.00 0.00 N ATOM 1047 CA PRO A 68 5.715 5.135 1.280 1.00 0.00 C ATOM 1048 C PRO A 68 4.344 4.807 1.860 1.00 0.00 C ATOM 1049 O PRO A 68 3.420 5.618 1.794 1.00 0.00 O ATOM 1050 CB PRO A 68 6.586 5.834 2.327 1.00 0.00 C ATOM 1051 CG PRO A 68 6.404 7.289 2.061 1.00 0.00 C ATOM 1052 CD PRO A 68 6.210 7.417 0.575 1.00 0.00 C ATOM 0 HA PRO A 68 6.116 4.180 0.941 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.274 5.574 3.339 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.632 5.542 2.231 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.542 7.680 2.602 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.273 7.858 2.392 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.538 8.238 0.327 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.152 7.610 0.062 1.00 0.00 H new ATOM 1060 N VAL A 69 4.217 3.613 2.429 1.00 0.00 N ATOM 1061 CA VAL A 69 2.959 3.178 3.023 1.00 0.00 C ATOM 1062 C VAL A 69 2.352 4.275 3.890 1.00 0.00 C ATOM 1063 O VAL A 69 1.134 4.360 4.041 1.00 0.00 O ATOM 1064 CB VAL A 69 3.149 1.910 3.877 1.00 0.00 C ATOM 1065 CG1 VAL A 69 1.993 1.744 4.852 1.00 0.00 C ATOM 1066 CG2 VAL A 69 3.288 0.685 2.987 1.00 0.00 C ATOM 0 H VAL A 69 4.971 2.929 2.491 1.00 0.00 H new ATOM 0 HA VAL A 69 2.282 2.953 2.199 1.00 0.00 H new ATOM 0 HB VAL A 69 4.067 2.016 4.455 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.145 0.843 5.446 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.946 2.610 5.512 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.058 1.659 4.297 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.421 -0.202 3.607 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.389 0.572 2.381 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.153 0.805 2.335 1.00 0.00 H new ATOM 1076 N GLY A 70 3.211 5.116 4.458 1.00 0.00 N ATOM 1077 CA GLY A 70 2.741 6.198 5.303 1.00 0.00 C ATOM 1078 C GLY A 70 2.687 7.524 4.571 1.00 0.00 C ATOM 1079 O GLY A 70 3.128 8.548 5.093 1.00 0.00 O ATOM 0 H GLY A 70 4.224 5.067 4.348 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.748 5.955 5.681 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.398 6.291 6.168 1.00 0.00 H new ATOM 1083 N TRP A 71 2.146 7.506 3.358 1.00 0.00 N ATOM 1084 CA TRP A 71 2.037 8.716 2.551 1.00 0.00 C ATOM 1085 C TRP A 71 0.667 9.362 2.721 1.00 0.00 C ATOM 1086 O TRP A 71 0.564 10.548 3.038 1.00 0.00 O ATOM 1087 CB TRP A 71 2.285 8.395 1.077 1.00 0.00 C ATOM 1088 CG TRP A 71 2.046 9.562 0.166 1.00 0.00 C ATOM 1089 CD1 TRP A 71 2.947 10.526 -0.184 1.00 0.00 C ATOM 1090 CD2 TRP A 71 0.825 9.887 -0.507 1.00 0.00 C ATOM 1091 NE1 TRP A 71 2.360 11.431 -1.035 1.00 0.00 N ATOM 1092 CE2 TRP A 71 1.058 11.061 -1.249 1.00 0.00 C ATOM 1093 CE3 TRP A 71 -0.443 9.300 -0.556 1.00 0.00 C ATOM 1094 CZ2 TRP A 71 0.071 11.658 -2.029 1.00 0.00 C ATOM 1095 CZ3 TRP A 71 -1.422 9.894 -1.330 1.00 0.00 C ATOM 1096 CH2 TRP A 71 -1.160 11.062 -2.059 1.00 0.00 C ATOM 0 H TRP A 71 1.776 6.667 2.912 1.00 0.00 H new ATOM 0 HA TRP A 71 2.795 9.421 2.894 1.00 0.00 H new ATOM 0 HB2 TRP A 71 3.313 8.053 0.955 1.00 0.00 H new ATOM 0 HB3 TRP A 71 1.637 7.571 0.778 1.00 0.00 H new ATOM 0 HD1 TRP A 71 3.971 10.571 0.158 1.00 0.00 H new ATOM 0 HE1 TRP A 71 2.819 12.246 -1.442 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.654 8.399 0.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.270 12.559 -2.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.406 9.450 -1.374 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -1.946 11.500 -2.656 1.00 0.00 H new ATOM 1107 N CYS A 72 -0.383 8.576 2.508 1.00 0.00 N ATOM 1108 CA CYS A 72 -1.748 9.072 2.638 1.00 0.00 C ATOM 1109 C CYS A 72 -1.854 10.085 3.773 1.00 0.00 C ATOM 1110 O CYS A 72 -2.551 11.093 3.657 1.00 0.00 O ATOM 1111 CB CYS A 72 -2.714 7.912 2.882 1.00 0.00 C ATOM 1112 SG CYS A 72 -2.445 7.045 4.446 1.00 0.00 S ATOM 0 H CYS A 72 -0.315 7.593 2.245 1.00 0.00 H new ATOM 0 HA CYS A 72 -2.017 9.569 1.706 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -3.735 8.293 2.861 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.623 7.199 2.063 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.311 6.083 4.563 1.00 0.00 H new ATOM 1118 N SER A 73 -1.158 9.810 4.871 1.00 0.00 N ATOM 1119 CA SER A 73 -1.177 10.694 6.031 1.00 0.00 C ATOM 1120 C SER A 73 -0.385 11.968 5.755 1.00 0.00 C ATOM 1121 O SER A 73 -0.942 13.066 5.726 1.00 0.00 O ATOM 1122 CB SER A 73 -0.603 9.978 7.255 1.00 0.00 C ATOM 1123 OG SER A 73 0.624 9.341 6.944 1.00 0.00 O ATOM 0 H SER A 73 -0.573 8.982 4.982 1.00 0.00 H new ATOM 0 HA SER A 73 -2.213 10.967 6.232 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.450 10.695 8.061 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.318 9.239 7.617 1.00 0.00 H new ATOM 0 HG SER A 73 0.971 8.892 7.743 1.00 0.00 H new ATOM 1129 N LYS A 74 0.919 11.815 5.553 1.00 0.00 N ATOM 1130 CA LYS A 74 1.791 12.951 5.278 1.00 0.00 C ATOM 1131 C LYS A 74 1.060 14.012 4.462 1.00 0.00 C ATOM 1132 O LYS A 74 0.799 15.114 4.947 1.00 0.00 O ATOM 1133 CB LYS A 74 3.043 12.490 4.530 1.00 0.00 C ATOM 1134 CG LYS A 74 4.149 11.991 5.444 1.00 0.00 C ATOM 1135 CD LYS A 74 5.025 10.962 4.749 1.00 0.00 C ATOM 1136 CE LYS A 74 5.971 11.616 3.754 1.00 0.00 C ATOM 1137 NZ LYS A 74 7.177 12.178 4.423 1.00 0.00 N ATOM 0 H LYS A 74 1.396 10.914 5.575 1.00 0.00 H new ATOM 0 HA LYS A 74 2.086 13.390 6.231 1.00 0.00 H new ATOM 0 HB2 LYS A 74 2.770 11.695 3.837 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.424 13.318 3.931 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.762 12.832 5.768 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.711 11.552 6.340 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.601 10.412 5.493 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.396 10.237 4.232 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.278 10.882 3.008 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.447 12.410 3.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.797 12.615 3.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.886 12.896 5.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.691 11.416 4.909 1.00 0.00 H new ATOM 1151 N THR A 75 0.729 13.674 3.219 1.00 0.00 N ATOM 1152 CA THR A 75 0.028 14.597 2.336 1.00 0.00 C ATOM 1153 C THR A 75 -1.445 14.708 2.715 1.00 0.00 C ATOM 1154 O THR A 75 -2.117 15.674 2.355 1.00 0.00 O ATOM 1155 CB THR A 75 0.136 14.158 0.864 1.00 0.00 C ATOM 1156 OG1 THR A 75 -0.458 12.866 0.693 1.00 0.00 O ATOM 1157 CG2 THR A 75 1.590 14.116 0.417 1.00 0.00 C ATOM 0 H THR A 75 0.936 12.767 2.801 1.00 0.00 H new ATOM 0 HA THR A 75 0.505 15.570 2.453 1.00 0.00 H new ATOM 0 HB THR A 75 -0.395 14.886 0.251 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.033 12.408 -0.062 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.641 13.803 -0.626 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.031 15.107 0.521 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.141 13.407 1.036 1.00 0.00 H new ATOM 1165 N GLY A 76 -1.941 13.713 3.443 1.00 0.00 N ATOM 1166 CA GLY A 76 -3.331 13.719 3.858 1.00 0.00 C ATOM 1167 C GLY A 76 -4.279 13.406 2.717 1.00 0.00 C ATOM 1168 O GLY A 76 -5.394 13.925 2.667 1.00 0.00 O ATOM 0 H GLY A 76 -1.405 12.903 3.753 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.472 12.988 4.654 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.578 14.696 4.274 1.00 0.00 H new ATOM 1172 N HIS A 77 -3.834 12.556 1.797 1.00 0.00 N ATOM 1173 CA HIS A 77 -4.650 12.176 0.649 1.00 0.00 C ATOM 1174 C HIS A 77 -5.322 10.826 0.884 1.00 0.00 C ATOM 1175 O HIS A 77 -4.810 9.967 1.602 1.00 0.00 O ATOM 1176 CB HIS A 77 -3.794 12.120 -0.616 1.00 0.00 C ATOM 1177 CG HIS A 77 -3.723 13.424 -1.350 1.00 0.00 C ATOM 1178 ND1 HIS A 77 -4.810 14.258 -1.508 1.00 0.00 N ATOM 1179 CD2 HIS A 77 -2.687 14.036 -1.968 1.00 0.00 C ATOM 1180 CE1 HIS A 77 -4.445 15.327 -2.194 1.00 0.00 C ATOM 1181 NE2 HIS A 77 -3.161 15.217 -2.484 1.00 0.00 N ATOM 0 H HIS A 77 -2.913 12.117 1.824 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.426 12.931 0.520 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.785 11.808 -0.348 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.197 11.358 -1.284 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.675 13.665 -2.042 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -5.087 16.150 -2.470 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -2.611 15.899 -3.006 1.00 0.00 H new ATOM 1190 N PRO A 78 -6.496 10.633 0.265 1.00 0.00 N ATOM 1191 CA PRO A 78 -7.263 9.390 0.392 1.00 0.00 C ATOM 1192 C PRO A 78 -6.588 8.219 -0.313 1.00 0.00 C ATOM 1193 O PRO A 78 -5.907 8.397 -1.324 1.00 0.00 O ATOM 1194 CB PRO A 78 -8.595 9.725 -0.284 1.00 0.00 C ATOM 1195 CG PRO A 78 -8.269 10.816 -1.244 1.00 0.00 C ATOM 1196 CD PRO A 78 -7.166 11.614 -0.606 1.00 0.00 C ATOM 0 HA PRO A 78 -7.364 9.077 1.431 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -9.008 8.857 -0.797 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.339 10.048 0.445 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -7.951 10.409 -2.204 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -9.142 11.440 -1.436 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.483 12.023 -1.351 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.557 12.457 -0.036 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.780 7.020 0.226 1.00 0.00 N ATOM 1205 CA LEU A 79 -6.190 5.817 -0.352 1.00 0.00 C ATOM 1206 C LEU A 79 -7.273 4.834 -0.786 1.00 0.00 C ATOM 1207 O LEU A 79 -8.353 4.787 -0.198 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.253 5.150 0.657 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.404 3.996 0.122 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -3.380 4.506 -0.879 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -3.717 3.265 1.267 1.00 0.00 C ATOM 0 H LEU A 79 -7.340 6.855 1.063 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.617 6.109 -1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.584 5.911 1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.852 4.779 1.489 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.061 3.293 -0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.785 3.671 -1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.893 4.983 -1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.726 5.230 -0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.117 2.447 0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.072 3.959 1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.469 2.865 1.947 1.00 0.00 H new ATOM 1223 N GLN A 80 -6.974 4.050 -1.816 1.00 0.00 N ATOM 1224 CA GLN A 80 -7.921 3.066 -2.327 1.00 0.00 C ATOM 1225 C GLN A 80 -7.468 1.649 -1.994 1.00 0.00 C ATOM 1226 O GLN A 80 -6.312 1.277 -2.199 1.00 0.00 O ATOM 1227 CB GLN A 80 -8.082 3.220 -3.841 1.00 0.00 C ATOM 1228 CG GLN A 80 -8.639 4.572 -4.259 1.00 0.00 C ATOM 1229 CD GLN A 80 -9.979 4.874 -3.618 1.00 0.00 C ATOM 1230 OE1 GLN A 80 -10.767 3.968 -3.342 1.00 0.00 O ATOM 1231 NE2 GLN A 80 -10.246 6.152 -3.377 1.00 0.00 N ATOM 0 H GLN A 80 -6.084 4.077 -2.313 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.883 3.242 -1.846 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.113 3.072 -4.318 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.742 2.435 -4.210 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.928 5.353 -3.990 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.745 4.597 -5.344 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -9.564 6.870 -3.622 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.133 6.415 -2.947 1.00 0.00 H new ATOM 1240 N PRO A 81 -8.397 0.838 -1.467 1.00 0.00 N ATOM 1241 CA PRO A 81 -8.116 -0.551 -1.094 1.00 0.00 C ATOM 1242 C PRO A 81 -7.886 -1.443 -2.310 1.00 0.00 C ATOM 1243 O PRO A 81 -8.439 -1.218 -3.387 1.00 0.00 O ATOM 1244 CB PRO A 81 -9.381 -0.981 -0.347 1.00 0.00 C ATOM 1245 CG PRO A 81 -10.455 -0.099 -0.883 1.00 0.00 C ATOM 1246 CD PRO A 81 -9.794 1.215 -1.195 1.00 0.00 C ATOM 0 HA PRO A 81 -7.205 -0.637 -0.502 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.607 -2.033 -0.524 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.267 -0.856 0.730 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.905 -0.531 -1.777 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.255 0.030 -0.154 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.254 1.702 -2.055 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.867 1.910 -0.359 1.00 0.00 H new ATOM 1254 N PRO A 82 -7.053 -2.479 -2.136 1.00 0.00 N ATOM 1255 CA PRO A 82 -6.733 -3.426 -3.208 1.00 0.00 C ATOM 1256 C PRO A 82 -7.918 -4.314 -3.571 1.00 0.00 C ATOM 1257 O PRO A 82 -8.984 -4.224 -2.961 1.00 0.00 O ATOM 1258 CB PRO A 82 -5.599 -4.265 -2.614 1.00 0.00 C ATOM 1259 CG PRO A 82 -5.794 -4.176 -1.140 1.00 0.00 C ATOM 1260 CD PRO A 82 -6.360 -2.807 -0.879 1.00 0.00 C ATOM 0 HA PRO A 82 -6.465 -2.917 -4.134 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.649 -5.298 -2.958 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.624 -3.877 -2.908 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.473 -4.953 -0.789 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.850 -4.315 -0.612 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.045 -2.810 -0.031 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.576 -2.085 -0.652 1.00 0.00 H new