USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 496 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 THR OG1 : rot 162:sc= 1.21 USER MOD Set 1.2: A 80 LYS NZ :NH3+ -145:sc= -0.0473 (180deg=-1.85!) USER MOD Set 2.1: A 67 LYS NZ :NH3+ 172:sc= 1.2 (180deg=0) USER MOD Set 2.2: A 68 ASN : amide:sc= -0.614 K(o=0.59,f=-12!) USER MOD Set 3.1: A 48 THR OG1 : rot -52:sc= 1.22 USER MOD Set 3.2: A 52 THR OG1 : rot -60:sc= 1.63 USER MOD Set 4.1: A 16 CYS SG : rot 155:sc= -1.5! USER MOD Set 4.2: A 78 CYS SG : rot 84:sc= 2.04 USER MOD Single : A 13 LYS NZ :NH3+ -162:sc= -2.33! (180deg=-2.42!) USER MOD Single : A 17 MET CE :methyl -119:sc= -1.11 (180deg=-5.52!) USER MOD Single : A 18 LYS NZ :NH3+ -179:sc= 1.11 (180deg=1.08) USER MOD Single : A 29 ASN : amide:sc= 0.755 K(o=0.75,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 140:sc= -0.622 (180deg=-2.27!) USER MOD Single : A 39 MET CE :methyl -127:sc= -1.41 (180deg=-2.8!) USER MOD Single : A 41 THR OG1 : rot 89:sc= 1.24 USER MOD Single : A 42 LYS NZ :NH3+ 146:sc= 0.174 (180deg=-0.784) USER MOD Single : A 45 GLN : amide:sc=-0.00602 X(o=-0.006,f=0) USER MOD Single : A 46 THR OG1 : rot -40:sc= 0.168 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl -167:sc= -1.12 (180deg=-1.46) USER MOD Single : A 57 LYS NZ :NH3+ -133:sc= 1.3 (180deg=0.89) USER MOD Single : A 79 SER OG : rot 85:sc= -0.343 USER MOD ----------------------------------------------------------------- ATOM 158 N GLU A 12 26.604 -30.710 -23.798 1.00 0.00 N ATOM 159 CA GLU A 12 27.829 -29.893 -23.735 1.00 0.00 C ATOM 160 C GLU A 12 27.810 -28.715 -24.706 1.00 0.00 C ATOM 161 O GLU A 12 28.365 -27.651 -24.440 1.00 0.00 O ATOM 162 CB GLU A 12 29.099 -30.706 -24.011 1.00 0.00 C ATOM 163 CG GLU A 12 29.270 -31.864 -23.025 1.00 0.00 C ATOM 164 CD GLU A 12 28.937 -33.200 -23.670 1.00 0.00 C ATOM 165 OE1 GLU A 12 27.832 -33.341 -24.233 1.00 0.00 O ATOM 166 OE2 GLU A 12 29.774 -34.125 -23.607 1.00 0.00 O ATOM 0 HA GLU A 12 27.847 -29.520 -22.711 1.00 0.00 H new ATOM 0 HB2 GLU A 12 29.063 -31.099 -25.027 1.00 0.00 H new ATOM 0 HB3 GLU A 12 29.968 -30.050 -23.953 1.00 0.00 H new ATOM 0 HG2 GLU A 12 30.296 -31.882 -22.658 1.00 0.00 H new ATOM 0 HG3 GLU A 12 28.625 -31.705 -22.161 1.00 0.00 H new ATOM 173 N LYS A 13 27.229 -28.933 -25.878 1.00 0.00 N ATOM 174 CA LYS A 13 27.142 -27.848 -26.845 1.00 0.00 C ATOM 175 C LYS A 13 26.066 -26.833 -26.499 1.00 0.00 C ATOM 176 O LYS A 13 26.180 -25.664 -26.873 1.00 0.00 O ATOM 177 CB LYS A 13 27.029 -28.348 -28.291 1.00 0.00 C ATOM 178 CG LYS A 13 28.152 -29.337 -28.648 1.00 0.00 C ATOM 179 CD LYS A 13 29.548 -28.735 -28.432 1.00 0.00 C ATOM 180 CE LYS A 13 30.350 -29.464 -27.343 1.00 0.00 C ATOM 181 NZ LYS A 13 30.568 -28.554 -26.206 1.00 0.00 N ATOM 0 H LYS A 13 26.823 -29.820 -26.176 1.00 0.00 H new ATOM 0 HA LYS A 13 28.092 -27.318 -26.778 1.00 0.00 H new ATOM 0 HB2 LYS A 13 26.062 -28.831 -28.433 1.00 0.00 H new ATOM 0 HB3 LYS A 13 27.064 -27.498 -28.972 1.00 0.00 H new ATOM 0 HG2 LYS A 13 28.048 -30.236 -28.040 1.00 0.00 H new ATOM 0 HG3 LYS A 13 28.047 -29.642 -29.689 1.00 0.00 H new ATOM 0 HD2 LYS A 13 30.103 -28.770 -29.370 1.00 0.00 H new ATOM 0 HD3 LYS A 13 29.447 -27.684 -28.160 1.00 0.00 H new ATOM 0 HE2 LYS A 13 29.813 -30.353 -27.014 1.00 0.00 H new ATOM 0 HE3 LYS A 13 31.307 -29.800 -27.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 31.345 -28.915 -25.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 30.813 -27.608 -26.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 29.700 -28.496 -25.636 1.00 0.00 H new ATOM 195 N ASP A 14 25.012 -27.227 -25.769 1.00 0.00 N ATOM 196 CA ASP A 14 24.147 -26.160 -25.255 1.00 0.00 C ATOM 197 C ASP A 14 24.893 -25.308 -24.220 1.00 0.00 C ATOM 198 O ASP A 14 24.763 -24.086 -24.172 1.00 0.00 O ATOM 199 CB ASP A 14 22.792 -26.618 -24.712 1.00 0.00 C ATOM 200 CG ASP A 14 21.744 -25.516 -24.822 1.00 0.00 C ATOM 201 OD1 ASP A 14 21.216 -25.298 -25.933 1.00 0.00 O ATOM 202 OD2 ASP A 14 21.449 -24.859 -23.799 1.00 0.00 O ATOM 0 H ASP A 14 24.753 -28.186 -25.537 1.00 0.00 H new ATOM 0 HA ASP A 14 23.902 -25.554 -26.127 1.00 0.00 H new ATOM 0 HB2 ASP A 14 22.456 -27.497 -25.263 1.00 0.00 H new ATOM 0 HB3 ASP A 14 22.899 -26.917 -23.669 1.00 0.00 H new ATOM 207 N GLU A 15 25.744 -25.961 -23.435 1.00 0.00 N ATOM 208 CA GLU A 15 26.594 -25.220 -22.500 1.00 0.00 C ATOM 209 C GLU A 15 27.589 -24.285 -23.184 1.00 0.00 C ATOM 210 O GLU A 15 27.689 -23.103 -22.865 1.00 0.00 O ATOM 211 CB GLU A 15 27.340 -26.187 -21.561 1.00 0.00 C ATOM 212 CG GLU A 15 26.469 -26.626 -20.372 1.00 0.00 C ATOM 213 CD GLU A 15 26.231 -25.506 -19.367 1.00 0.00 C ATOM 214 OE1 GLU A 15 25.342 -24.659 -19.604 1.00 0.00 O ATOM 215 OE2 GLU A 15 26.912 -25.484 -18.320 1.00 0.00 O ATOM 0 H GLU A 15 25.865 -26.974 -23.423 1.00 0.00 H new ATOM 0 HA GLU A 15 25.920 -24.588 -21.922 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.655 -27.066 -22.123 1.00 0.00 H new ATOM 0 HB3 GLU A 15 28.244 -25.705 -21.189 1.00 0.00 H new ATOM 0 HG2 GLU A 15 25.509 -26.984 -20.744 1.00 0.00 H new ATOM 0 HG3 GLU A 15 26.948 -27.465 -19.867 1.00 0.00 H new ATOM 222 N CYS A 16 28.327 -24.820 -24.142 1.00 0.00 N ATOM 223 CA CYS A 16 29.350 -23.986 -24.807 1.00 0.00 C ATOM 224 C CYS A 16 28.758 -22.850 -25.662 1.00 0.00 C ATOM 225 O CYS A 16 29.343 -21.769 -25.738 1.00 0.00 O ATOM 226 CB CYS A 16 30.465 -24.753 -25.543 1.00 0.00 C ATOM 227 SG CYS A 16 31.739 -23.581 -26.120 1.00 0.00 S ATOM 0 H CYS A 16 28.255 -25.781 -24.475 1.00 0.00 H new ATOM 0 HA CYS A 16 29.859 -23.517 -23.965 1.00 0.00 H new ATOM 0 HB2 CYS A 16 30.911 -25.492 -24.878 1.00 0.00 H new ATOM 0 HB3 CYS A 16 30.047 -25.297 -26.390 1.00 0.00 H new ATOM 0 HG CYS A 16 32.872 -24.204 -26.255 1.00 0.00 H new ATOM 233 N MET A 17 27.599 -23.043 -26.302 1.00 0.00 N ATOM 234 CA MET A 17 26.988 -21.884 -26.988 1.00 0.00 C ATOM 235 C MET A 17 26.325 -20.910 -25.998 1.00 0.00 C ATOM 236 O MET A 17 26.353 -19.696 -26.195 1.00 0.00 O ATOM 237 CB MET A 17 26.008 -22.224 -28.124 1.00 0.00 C ATOM 238 CG MET A 17 25.913 -21.125 -29.208 1.00 0.00 C ATOM 239 SD MET A 17 27.215 -19.872 -29.030 1.00 0.00 S ATOM 240 CE MET A 17 28.219 -20.124 -30.522 1.00 0.00 C ATOM 0 H MET A 17 27.089 -23.924 -26.364 1.00 0.00 H new ATOM 0 HA MET A 17 27.839 -21.401 -27.467 1.00 0.00 H new ATOM 0 HB2 MET A 17 26.317 -23.159 -28.592 1.00 0.00 H new ATOM 0 HB3 MET A 17 25.018 -22.392 -27.701 1.00 0.00 H new ATOM 0 HG2 MET A 17 25.984 -21.583 -30.195 1.00 0.00 H new ATOM 0 HG3 MET A 17 24.937 -20.643 -29.150 1.00 0.00 H new ATOM 0 HE1 MET A 17 29.234 -20.399 -30.235 1.00 0.00 H new ATOM 0 HE2 MET A 17 27.783 -20.921 -31.124 1.00 0.00 H new ATOM 0 HE3 MET A 17 28.244 -19.203 -31.104 1.00 0.00 H new ATOM 250 N LYS A 18 25.700 -21.428 -24.936 1.00 0.00 N ATOM 251 CA LYS A 18 25.168 -20.529 -23.907 1.00 0.00 C ATOM 252 C LYS A 18 26.271 -19.705 -23.221 1.00 0.00 C ATOM 253 O LYS A 18 26.124 -18.508 -22.979 1.00 0.00 O ATOM 254 CB LYS A 18 24.326 -21.284 -22.869 1.00 0.00 C ATOM 255 CG LYS A 18 23.202 -20.418 -22.284 1.00 0.00 C ATOM 256 CD LYS A 18 21.847 -20.778 -22.913 1.00 0.00 C ATOM 257 CE LYS A 18 21.044 -21.738 -22.025 1.00 0.00 C ATOM 258 NZ LYS A 18 21.727 -23.042 -21.922 1.00 0.00 N ATOM 0 H LYS A 18 25.553 -22.423 -24.768 1.00 0.00 H new ATOM 0 HA LYS A 18 24.514 -19.828 -24.425 1.00 0.00 H new ATOM 0 HB2 LYS A 18 23.894 -22.171 -23.332 1.00 0.00 H new ATOM 0 HB3 LYS A 18 24.973 -21.629 -22.062 1.00 0.00 H new ATOM 0 HG2 LYS A 18 23.155 -20.558 -21.204 1.00 0.00 H new ATOM 0 HG3 LYS A 18 23.420 -19.365 -22.460 1.00 0.00 H new ATOM 0 HD2 LYS A 18 21.270 -19.868 -23.079 1.00 0.00 H new ATOM 0 HD3 LYS A 18 22.009 -21.235 -23.889 1.00 0.00 H new ATOM 0 HE2 LYS A 18 20.921 -21.306 -21.032 1.00 0.00 H new ATOM 0 HE3 LYS A 18 20.045 -21.876 -22.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 21.161 -23.685 -21.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 21.838 -23.452 -22.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 22.664 -22.910 -21.490 1.00 0.00 H new ATOM 272 N ILE A 19 27.389 -20.354 -22.906 1.00 0.00 N ATOM 273 CA ILE A 19 28.535 -19.605 -22.374 1.00 0.00 C ATOM 274 C ILE A 19 29.180 -18.690 -23.422 1.00 0.00 C ATOM 275 O ILE A 19 29.732 -17.642 -23.089 1.00 0.00 O ATOM 276 CB ILE A 19 29.547 -20.513 -21.654 1.00 0.00 C ATOM 277 CG1 ILE A 19 30.109 -19.842 -20.370 1.00 0.00 C ATOM 278 CG2 ILE A 19 30.636 -20.972 -22.618 1.00 0.00 C ATOM 279 CD1 ILE A 19 31.583 -19.480 -20.460 1.00 0.00 C ATOM 0 H ILE A 19 27.530 -21.360 -23.003 1.00 0.00 H new ATOM 0 HA ILE A 19 28.140 -18.938 -21.608 1.00 0.00 H new ATOM 0 HB ILE A 19 29.028 -21.409 -21.314 1.00 0.00 H new ATOM 0 HG12 ILE A 19 29.535 -18.939 -20.163 1.00 0.00 H new ATOM 0 HG13 ILE A 19 29.961 -20.515 -19.525 1.00 0.00 H new ATOM 0 HG21 ILE A 19 31.342 -21.613 -22.091 1.00 0.00 H new ATOM 0 HG22 ILE A 19 30.184 -21.528 -23.439 1.00 0.00 H new ATOM 0 HG23 ILE A 19 31.161 -20.103 -23.014 1.00 0.00 H new ATOM 0 HD11 ILE A 19 31.901 -19.016 -19.526 1.00 0.00 H new ATOM 0 HD12 ILE A 19 32.169 -20.382 -20.636 1.00 0.00 H new ATOM 0 HD13 ILE A 19 31.737 -18.782 -21.283 1.00 0.00 H new ATOM 291 N PHE A 20 29.147 -19.088 -24.694 1.00 0.00 N ATOM 292 CA PHE A 20 29.553 -18.141 -25.739 1.00 0.00 C ATOM 293 C PHE A 20 28.633 -16.904 -25.722 1.00 0.00 C ATOM 294 O PHE A 20 29.071 -15.767 -25.845 1.00 0.00 O ATOM 295 CB PHE A 20 29.617 -18.754 -27.144 1.00 0.00 C ATOM 296 CG PHE A 20 30.425 -17.899 -28.117 1.00 0.00 C ATOM 297 CD1 PHE A 20 31.713 -17.548 -27.850 1.00 0.00 C ATOM 298 CD2 PHE A 20 29.881 -17.561 -29.311 1.00 0.00 C ATOM 299 CE1 PHE A 20 32.414 -16.796 -28.734 1.00 0.00 C ATOM 300 CE2 PHE A 20 30.537 -16.708 -30.138 1.00 0.00 C ATOM 301 CZ PHE A 20 31.794 -16.300 -29.827 1.00 0.00 C ATOM 0 H PHE A 20 28.859 -20.011 -25.018 1.00 0.00 H new ATOM 0 HA PHE A 20 30.574 -17.843 -25.502 1.00 0.00 H new ATOM 0 HB2 PHE A 20 30.060 -19.748 -27.084 1.00 0.00 H new ATOM 0 HB3 PHE A 20 28.605 -18.879 -27.529 1.00 0.00 H new ATOM 0 HD1 PHE A 20 32.178 -17.870 -26.930 1.00 0.00 H new ATOM 0 HD2 PHE A 20 28.926 -17.970 -29.605 1.00 0.00 H new ATOM 0 HE1 PHE A 20 33.462 -16.595 -28.565 1.00 0.00 H new ATOM 0 HE2 PHE A 20 30.061 -16.355 -31.041 1.00 0.00 H new ATOM 0 HZ PHE A 20 32.298 -15.579 -30.453 1.00 0.00 H new ATOM 311 N ASP A 21 27.347 -17.135 -25.487 1.00 0.00 N ATOM 312 CA ASP A 21 26.409 -16.008 -25.340 1.00 0.00 C ATOM 313 C ASP A 21 26.637 -15.169 -24.073 1.00 0.00 C ATOM 314 O ASP A 21 26.439 -13.953 -24.064 1.00 0.00 O ATOM 315 CB ASP A 21 24.955 -16.489 -25.392 1.00 0.00 C ATOM 316 CG ASP A 21 24.002 -15.377 -25.807 1.00 0.00 C ATOM 317 OD1 ASP A 21 24.014 -14.977 -26.991 1.00 0.00 O ATOM 318 OD2 ASP A 21 23.235 -14.892 -24.947 1.00 0.00 O ATOM 0 H ASP A 21 26.930 -18.061 -25.395 1.00 0.00 H new ATOM 0 HA ASP A 21 26.610 -15.354 -26.188 1.00 0.00 H new ATOM 0 HB2 ASP A 21 24.872 -17.318 -26.094 1.00 0.00 H new ATOM 0 HB3 ASP A 21 24.664 -16.870 -24.413 1.00 0.00 H new ATOM 323 N ILE A 22 27.009 -15.820 -22.980 1.00 0.00 N ATOM 324 CA ILE A 22 27.381 -15.034 -21.780 1.00 0.00 C ATOM 325 C ILE A 22 28.706 -14.287 -22.005 1.00 0.00 C ATOM 326 O ILE A 22 28.796 -13.066 -21.864 1.00 0.00 O ATOM 327 CB ILE A 22 27.460 -15.779 -20.411 1.00 0.00 C ATOM 328 CG1 ILE A 22 26.119 -16.399 -19.979 1.00 0.00 C ATOM 329 CG2 ILE A 22 27.887 -14.783 -19.324 1.00 0.00 C ATOM 330 CD1 ILE A 22 26.337 -17.374 -18.817 1.00 0.00 C ATOM 0 H ILE A 22 27.065 -16.834 -22.884 1.00 0.00 H new ATOM 0 HA ILE A 22 26.529 -14.362 -21.678 1.00 0.00 H new ATOM 0 HB ILE A 22 28.180 -16.588 -20.536 1.00 0.00 H new ATOM 0 HG12 ILE A 22 25.426 -15.613 -19.679 1.00 0.00 H new ATOM 0 HG13 ILE A 22 25.663 -16.921 -20.821 1.00 0.00 H new ATOM 0 HG21 ILE A 22 27.945 -15.295 -18.364 1.00 0.00 H new ATOM 0 HG22 ILE A 22 28.864 -14.369 -19.574 1.00 0.00 H new ATOM 0 HG23 ILE A 22 27.156 -13.977 -19.262 1.00 0.00 H new ATOM 0 HD11 ILE A 22 25.381 -17.806 -18.520 1.00 0.00 H new ATOM 0 HD12 ILE A 22 27.013 -18.169 -19.131 1.00 0.00 H new ATOM 0 HD13 ILE A 22 26.772 -16.841 -17.972 1.00 0.00 H new ATOM 342 N PHE A 23 29.742 -15.037 -22.345 1.00 0.00 N ATOM 343 CA PHE A 23 31.074 -14.432 -22.462 1.00 0.00 C ATOM 344 C PHE A 23 31.269 -13.551 -23.686 1.00 0.00 C ATOM 345 O PHE A 23 31.858 -12.479 -23.602 1.00 0.00 O ATOM 346 CB PHE A 23 32.180 -15.498 -22.527 1.00 0.00 C ATOM 347 CG PHE A 23 32.531 -16.063 -21.161 1.00 0.00 C ATOM 348 CD1 PHE A 23 31.541 -16.459 -20.328 1.00 0.00 C ATOM 349 CD2 PHE A 23 33.795 -15.951 -20.680 1.00 0.00 C ATOM 350 CE1 PHE A 23 31.721 -16.374 -18.990 1.00 0.00 C ATOM 351 CE2 PHE A 23 33.987 -15.876 -19.340 1.00 0.00 C ATOM 352 CZ PHE A 23 32.937 -16.037 -18.495 1.00 0.00 C ATOM 0 H PHE A 23 29.699 -16.037 -22.541 1.00 0.00 H new ATOM 0 HA PHE A 23 31.144 -13.817 -21.565 1.00 0.00 H new ATOM 0 HB2 PHE A 23 31.859 -16.310 -23.180 1.00 0.00 H new ATOM 0 HB3 PHE A 23 33.073 -15.062 -22.976 1.00 0.00 H new ATOM 0 HD1 PHE A 23 30.613 -16.840 -20.729 1.00 0.00 H new ATOM 0 HD2 PHE A 23 34.637 -15.922 -21.356 1.00 0.00 H new ATOM 0 HE1 PHE A 23 30.899 -16.574 -18.319 1.00 0.00 H new ATOM 0 HE2 PHE A 23 34.975 -15.688 -18.945 1.00 0.00 H new ATOM 0 HZ PHE A 23 33.070 -15.897 -17.432 1.00 0.00 H new ATOM 362 N ASP A 24 30.778 -13.990 -24.834 1.00 0.00 N ATOM 363 CA ASP A 24 31.249 -13.368 -26.066 1.00 0.00 C ATOM 364 C ASP A 24 30.631 -11.980 -26.360 1.00 0.00 C ATOM 365 O ASP A 24 31.146 -11.218 -27.178 1.00 0.00 O ATOM 366 CB ASP A 24 31.090 -14.278 -27.298 1.00 0.00 C ATOM 367 CG ASP A 24 29.952 -13.891 -28.249 1.00 0.00 C ATOM 368 OD1 ASP A 24 28.773 -14.142 -27.921 1.00 0.00 O ATOM 369 OD2 ASP A 24 30.240 -13.337 -29.333 1.00 0.00 O ATOM 0 H ASP A 24 30.090 -14.735 -24.942 1.00 0.00 H new ATOM 0 HA ASP A 24 32.312 -13.213 -25.879 1.00 0.00 H new ATOM 0 HB2 ASP A 24 32.026 -14.275 -27.856 1.00 0.00 H new ATOM 0 HB3 ASP A 24 30.926 -15.300 -26.957 1.00 0.00 H new ATOM 437 N ASN A 29 33.357 -9.940 -28.710 1.00 0.00 N ATOM 438 CA ASN A 29 33.079 -10.977 -29.728 1.00 0.00 C ATOM 439 C ASN A 29 34.319 -11.816 -30.084 1.00 0.00 C ATOM 440 O ASN A 29 34.224 -12.847 -30.749 1.00 0.00 O ATOM 441 CB ASN A 29 32.354 -10.441 -30.981 1.00 0.00 C ATOM 442 CG ASN A 29 31.016 -9.772 -30.638 1.00 0.00 C ATOM 443 OD1 ASN A 29 30.800 -8.597 -30.928 1.00 0.00 O ATOM 444 ND2 ASN A 29 30.091 -10.504 -30.035 1.00 0.00 N ATOM 0 HA ASN A 29 32.372 -11.655 -29.249 1.00 0.00 H new ATOM 0 HB2 ASN A 29 32.997 -9.723 -31.491 1.00 0.00 H new ATOM 0 HB3 ASN A 29 32.179 -11.262 -31.676 1.00 0.00 H new ATOM 0 HD21 ASN A 29 29.186 -10.094 -29.805 1.00 0.00 H new ATOM 0 HD22 ASN A 29 30.284 -11.478 -29.800 1.00 0.00 H new ATOM 451 N ILE A 30 35.489 -11.360 -29.643 1.00 0.00 N ATOM 452 CA ILE A 30 36.664 -12.227 -29.691 1.00 0.00 C ATOM 453 C ILE A 30 37.216 -12.357 -28.254 1.00 0.00 C ATOM 454 O ILE A 30 37.911 -11.478 -27.743 1.00 0.00 O ATOM 455 CB ILE A 30 37.708 -11.833 -30.767 1.00 0.00 C ATOM 456 CG1 ILE A 30 38.083 -10.339 -30.658 1.00 0.00 C ATOM 457 CG2 ILE A 30 37.168 -12.150 -32.168 1.00 0.00 C ATOM 458 CD1 ILE A 30 38.985 -9.876 -31.811 1.00 0.00 C ATOM 0 H ILE A 30 35.648 -10.428 -29.261 1.00 0.00 H new ATOM 0 HA ILE A 30 36.370 -13.217 -30.040 1.00 0.00 H new ATOM 0 HB ILE A 30 38.612 -12.418 -30.596 1.00 0.00 H new ATOM 0 HG12 ILE A 30 37.173 -9.739 -30.649 1.00 0.00 H new ATOM 0 HG13 ILE A 30 38.591 -10.163 -29.710 1.00 0.00 H new ATOM 0 HG21 ILE A 30 37.910 -11.869 -32.916 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.961 -13.217 -32.245 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.249 -11.589 -32.339 1.00 0.00 H new ATOM 0 HD11 ILE A 30 39.220 -8.819 -31.687 1.00 0.00 H new ATOM 0 HD12 ILE A 30 39.908 -10.456 -31.806 1.00 0.00 H new ATOM 0 HD13 ILE A 30 38.468 -10.025 -32.759 1.00 0.00 H new ATOM 470 N ALA A 31 36.843 -13.447 -27.579 1.00 0.00 N ATOM 471 CA ALA A 31 37.186 -13.580 -26.148 1.00 0.00 C ATOM 472 C ALA A 31 38.551 -14.263 -25.919 1.00 0.00 C ATOM 473 O ALA A 31 38.836 -15.285 -26.533 1.00 0.00 O ATOM 474 CB ALA A 31 36.098 -14.337 -25.383 1.00 0.00 C ATOM 0 H ALA A 31 36.322 -14.229 -27.976 1.00 0.00 H new ATOM 0 HA ALA A 31 37.256 -12.563 -25.763 1.00 0.00 H new ATOM 0 HB1 ALA A 31 36.381 -14.418 -24.333 1.00 0.00 H new ATOM 0 HB2 ALA A 31 35.154 -13.798 -25.464 1.00 0.00 H new ATOM 0 HB3 ALA A 31 35.983 -15.335 -25.806 1.00 0.00 H new ATOM 480 N PRO A 32 39.387 -13.796 -24.980 1.00 0.00 N ATOM 481 CA PRO A 32 40.790 -14.249 -24.968 1.00 0.00 C ATOM 482 C PRO A 32 41.000 -15.557 -24.169 1.00 0.00 C ATOM 483 O PRO A 32 40.055 -16.237 -23.769 1.00 0.00 O ATOM 484 CB PRO A 32 41.536 -13.063 -24.338 1.00 0.00 C ATOM 485 CG PRO A 32 40.483 -12.178 -23.666 1.00 0.00 C ATOM 486 CD PRO A 32 39.161 -12.495 -24.354 1.00 0.00 C ATOM 0 HA PRO A 32 41.149 -14.503 -25.965 1.00 0.00 H new ATOM 0 HB2 PRO A 32 42.269 -13.411 -23.610 1.00 0.00 H new ATOM 0 HB3 PRO A 32 42.082 -12.504 -25.097 1.00 0.00 H new ATOM 0 HG2 PRO A 32 40.425 -12.385 -22.597 1.00 0.00 H new ATOM 0 HG3 PRO A 32 40.735 -11.123 -23.774 1.00 0.00 H new ATOM 0 HD2 PRO A 32 38.339 -12.534 -23.639 1.00 0.00 H new ATOM 0 HD3 PRO A 32 38.905 -11.736 -25.093 1.00 0.00 H new ATOM 494 N VAL A 33 42.270 -15.928 -23.961 1.00 0.00 N ATOM 495 CA VAL A 33 42.568 -17.151 -23.160 1.00 0.00 C ATOM 496 C VAL A 33 42.021 -17.083 -21.725 1.00 0.00 C ATOM 497 O VAL A 33 41.469 -18.056 -21.206 1.00 0.00 O ATOM 498 CB VAL A 33 44.072 -17.534 -23.081 1.00 0.00 C ATOM 499 CG1 VAL A 33 44.348 -18.850 -23.820 1.00 0.00 C ATOM 500 CG2 VAL A 33 44.986 -16.425 -23.617 1.00 0.00 C ATOM 0 H VAL A 33 43.087 -15.431 -24.315 1.00 0.00 H new ATOM 0 HA VAL A 33 42.050 -17.927 -23.723 1.00 0.00 H new ATOM 0 HB VAL A 33 44.302 -17.668 -22.024 1.00 0.00 H new ATOM 0 HG11 VAL A 33 45.408 -19.092 -23.748 1.00 0.00 H new ATOM 0 HG12 VAL A 33 43.761 -19.650 -23.369 1.00 0.00 H new ATOM 0 HG13 VAL A 33 44.071 -18.743 -24.869 1.00 0.00 H new ATOM 0 HG21 VAL A 33 46.026 -16.742 -23.540 1.00 0.00 H new ATOM 0 HG22 VAL A 33 44.744 -16.227 -24.661 1.00 0.00 H new ATOM 0 HG23 VAL A 33 44.839 -15.517 -23.032 1.00 0.00 H new ATOM 510 N SER A 34 42.216 -15.950 -21.054 1.00 0.00 N ATOM 511 CA SER A 34 41.649 -15.805 -19.702 1.00 0.00 C ATOM 512 C SER A 34 40.146 -16.101 -19.649 1.00 0.00 C ATOM 513 O SER A 34 39.626 -16.628 -18.663 1.00 0.00 O ATOM 514 CB SER A 34 41.954 -14.438 -19.080 1.00 0.00 C ATOM 515 OG SER A 34 41.390 -13.399 -19.874 1.00 0.00 O ATOM 0 H SER A 34 42.739 -15.145 -21.400 1.00 0.00 H new ATOM 0 HA SER A 34 42.150 -16.563 -19.100 1.00 0.00 H new ATOM 0 HB2 SER A 34 41.550 -14.392 -18.069 1.00 0.00 H new ATOM 0 HB3 SER A 34 43.032 -14.299 -18.999 1.00 0.00 H new ATOM 0 HG SER A 34 41.590 -12.531 -19.466 1.00 0.00 H new ATOM 521 N ASP A 35 39.442 -15.775 -20.729 1.00 0.00 N ATOM 522 CA ASP A 35 38.047 -16.196 -20.829 1.00 0.00 C ATOM 523 C ASP A 35 37.907 -17.732 -20.791 1.00 0.00 C ATOM 524 O ASP A 35 37.161 -18.258 -19.974 1.00 0.00 O ATOM 525 CB ASP A 35 37.313 -15.528 -22.002 1.00 0.00 C ATOM 526 CG ASP A 35 36.832 -14.131 -21.627 1.00 0.00 C ATOM 527 OD1 ASP A 35 37.654 -13.317 -21.152 1.00 0.00 O ATOM 528 OD2 ASP A 35 35.632 -13.838 -21.816 1.00 0.00 O ATOM 0 H ASP A 35 39.797 -15.240 -21.522 1.00 0.00 H new ATOM 0 HA ASP A 35 37.533 -15.834 -19.938 1.00 0.00 H new ATOM 0 HB2 ASP A 35 37.978 -15.468 -22.864 1.00 0.00 H new ATOM 0 HB3 ASP A 35 36.462 -16.141 -22.299 1.00 0.00 H new ATOM 533 N THR A 36 38.674 -18.473 -21.603 1.00 0.00 N ATOM 534 CA THR A 36 38.667 -19.949 -21.481 1.00 0.00 C ATOM 535 C THR A 36 38.939 -20.439 -20.039 1.00 0.00 C ATOM 536 O THR A 36 38.424 -21.473 -19.613 1.00 0.00 O ATOM 537 CB THR A 36 39.604 -20.628 -22.512 1.00 0.00 C ATOM 538 OG1 THR A 36 39.258 -20.190 -23.818 1.00 0.00 O ATOM 539 CG2 THR A 36 39.504 -22.162 -22.492 1.00 0.00 C ATOM 0 H THR A 36 39.287 -18.099 -22.327 1.00 0.00 H new ATOM 0 HA THR A 36 37.651 -20.262 -21.720 1.00 0.00 H new ATOM 0 HB THR A 36 40.622 -20.348 -22.243 1.00 0.00 H new ATOM 0 HG1 THR A 36 39.849 -20.616 -24.473 1.00 0.00 H new ATOM 0 HG21 THR A 36 40.183 -22.581 -23.235 1.00 0.00 H new ATOM 0 HG22 THR A 36 39.776 -22.531 -21.503 1.00 0.00 H new ATOM 0 HG23 THR A 36 38.482 -22.463 -22.724 1.00 0.00 H new ATOM 547 N MET A 37 39.716 -19.674 -19.264 1.00 0.00 N ATOM 548 CA MET A 37 39.917 -20.051 -17.854 1.00 0.00 C ATOM 549 C MET A 37 38.652 -19.866 -17.004 1.00 0.00 C ATOM 550 O MET A 37 38.186 -20.801 -16.352 1.00 0.00 O ATOM 551 CB MET A 37 41.094 -19.327 -17.182 1.00 0.00 C ATOM 552 CG MET A 37 42.376 -19.380 -18.015 1.00 0.00 C ATOM 553 SD MET A 37 42.772 -21.088 -18.424 1.00 0.00 S ATOM 554 CE MET A 37 42.819 -20.941 -20.218 1.00 0.00 C ATOM 0 H MET A 37 40.198 -18.827 -19.567 1.00 0.00 H new ATOM 0 HA MET A 37 40.161 -21.113 -17.897 1.00 0.00 H new ATOM 0 HB2 MET A 37 40.822 -18.286 -17.007 1.00 0.00 H new ATOM 0 HB3 MET A 37 41.281 -19.775 -16.206 1.00 0.00 H new ATOM 0 HG2 MET A 37 42.251 -18.798 -18.928 1.00 0.00 H new ATOM 0 HG3 MET A 37 43.199 -18.930 -17.460 1.00 0.00 H new ATOM 0 HE1 MET A 37 43.645 -21.535 -20.610 1.00 0.00 H new ATOM 0 HE2 MET A 37 41.880 -21.303 -20.637 1.00 0.00 H new ATOM 0 HE3 MET A 37 42.960 -19.896 -20.494 1.00 0.00 H new ATOM 564 N ASP A 38 38.110 -18.647 -16.970 1.00 0.00 N ATOM 565 CA ASP A 38 36.827 -18.452 -16.265 1.00 0.00 C ATOM 566 C ASP A 38 35.718 -19.362 -16.801 1.00 0.00 C ATOM 567 O ASP A 38 34.926 -19.924 -16.048 1.00 0.00 O ATOM 568 CB ASP A 38 36.329 -17.010 -16.282 1.00 0.00 C ATOM 569 CG ASP A 38 37.126 -16.104 -15.356 1.00 0.00 C ATOM 570 OD1 ASP A 38 38.304 -15.814 -15.655 1.00 0.00 O ATOM 571 OD2 ASP A 38 36.569 -15.672 -14.321 1.00 0.00 O ATOM 0 H ASP A 38 38.510 -17.812 -17.398 1.00 0.00 H new ATOM 0 HA ASP A 38 37.051 -18.721 -15.233 1.00 0.00 H new ATOM 0 HB2 ASP A 38 36.384 -16.623 -17.299 1.00 0.00 H new ATOM 0 HB3 ASP A 38 35.279 -16.989 -15.990 1.00 0.00 H new ATOM 576 N MET A 39 35.655 -19.488 -18.119 1.00 0.00 N ATOM 577 CA MET A 39 34.699 -20.403 -18.731 1.00 0.00 C ATOM 578 C MET A 39 34.776 -21.819 -18.158 1.00 0.00 C ATOM 579 O MET A 39 33.880 -22.264 -17.447 1.00 0.00 O ATOM 580 CB MET A 39 34.907 -20.465 -20.246 1.00 0.00 C ATOM 581 CG MET A 39 34.720 -19.109 -20.948 1.00 0.00 C ATOM 582 SD MET A 39 35.759 -19.032 -22.423 1.00 0.00 S ATOM 583 CE MET A 39 34.703 -18.045 -23.506 1.00 0.00 C ATOM 0 H MET A 39 36.244 -18.978 -18.777 1.00 0.00 H new ATOM 0 HA MET A 39 33.710 -20.005 -18.501 1.00 0.00 H new ATOM 0 HB2 MET A 39 35.911 -20.836 -20.452 1.00 0.00 H new ATOM 0 HB3 MET A 39 34.208 -21.185 -20.671 1.00 0.00 H new ATOM 0 HG2 MET A 39 33.674 -18.973 -21.222 1.00 0.00 H new ATOM 0 HG3 MET A 39 34.979 -18.298 -20.267 1.00 0.00 H new ATOM 0 HE1 MET A 39 34.566 -18.566 -24.454 1.00 0.00 H new ATOM 0 HE2 MET A 39 33.734 -17.895 -23.031 1.00 0.00 H new ATOM 0 HE3 MET A 39 35.171 -17.078 -23.688 1.00 0.00 H new ATOM 593 N LEU A 40 35.877 -22.518 -18.417 1.00 0.00 N ATOM 594 CA LEU A 40 35.969 -23.905 -17.928 1.00 0.00 C ATOM 595 C LEU A 40 35.960 -24.047 -16.390 1.00 0.00 C ATOM 596 O LEU A 40 35.655 -25.116 -15.860 1.00 0.00 O ATOM 597 CB LEU A 40 37.127 -24.671 -18.615 1.00 0.00 C ATOM 598 CG LEU A 40 36.818 -25.238 -20.034 1.00 0.00 C ATOM 599 CD1 LEU A 40 35.327 -25.453 -20.296 1.00 0.00 C ATOM 600 CD2 LEU A 40 37.457 -24.405 -21.145 1.00 0.00 C ATOM 0 H LEU A 40 36.686 -22.176 -18.936 1.00 0.00 H new ATOM 0 HA LEU A 40 35.041 -24.390 -18.229 1.00 0.00 H new ATOM 0 HB2 LEU A 40 37.985 -24.003 -18.690 1.00 0.00 H new ATOM 0 HB3 LEU A 40 37.423 -25.499 -17.970 1.00 0.00 H new ATOM 0 HG LEU A 40 37.279 -26.225 -20.049 1.00 0.00 H new ATOM 0 HD11 LEU A 40 35.188 -25.849 -21.302 1.00 0.00 H new ATOM 0 HD12 LEU A 40 34.928 -26.161 -19.569 1.00 0.00 H new ATOM 0 HD13 LEU A 40 34.801 -24.503 -20.204 1.00 0.00 H new ATOM 0 HD21 LEU A 40 37.212 -24.841 -22.113 1.00 0.00 H new ATOM 0 HD22 LEU A 40 37.076 -23.385 -21.100 1.00 0.00 H new ATOM 0 HD23 LEU A 40 38.539 -24.394 -21.015 1.00 0.00 H new ATOM 612 N THR A 41 36.246 -22.973 -15.655 1.00 0.00 N ATOM 613 CA THR A 41 36.069 -23.045 -14.198 1.00 0.00 C ATOM 614 C THR A 41 34.595 -22.877 -13.777 1.00 0.00 C ATOM 615 O THR A 41 34.095 -23.583 -12.902 1.00 0.00 O ATOM 616 CB THR A 41 36.955 -22.034 -13.451 1.00 0.00 C ATOM 617 OG1 THR A 41 38.275 -22.075 -13.978 1.00 0.00 O ATOM 618 CG2 THR A 41 37.014 -22.342 -11.953 1.00 0.00 C ATOM 0 H THR A 41 36.585 -22.082 -16.017 1.00 0.00 H new ATOM 0 HA THR A 41 36.388 -24.047 -13.912 1.00 0.00 H new ATOM 0 HB THR A 41 36.519 -21.044 -13.588 1.00 0.00 H new ATOM 0 HG1 THR A 41 38.349 -21.443 -14.723 1.00 0.00 H new ATOM 0 HG21 THR A 41 37.648 -21.608 -11.455 1.00 0.00 H new ATOM 0 HG22 THR A 41 36.009 -22.298 -11.533 1.00 0.00 H new ATOM 0 HG23 THR A 41 37.426 -23.340 -11.803 1.00 0.00 H new ATOM 626 N LYS A 42 33.894 -21.941 -14.414 1.00 0.00 N ATOM 627 CA LYS A 42 32.509 -21.666 -14.007 1.00 0.00 C ATOM 628 C LYS A 42 31.449 -22.421 -14.799 1.00 0.00 C ATOM 629 O LYS A 42 30.483 -22.937 -14.237 1.00 0.00 O ATOM 630 CB LYS A 42 32.206 -20.165 -14.054 1.00 0.00 C ATOM 631 CG LYS A 42 32.943 -19.421 -12.939 1.00 0.00 C ATOM 632 CD LYS A 42 33.675 -18.174 -13.456 1.00 0.00 C ATOM 633 CE LYS A 42 32.740 -17.207 -14.192 1.00 0.00 C ATOM 634 NZ LYS A 42 33.387 -15.885 -14.292 1.00 0.00 N ATOM 0 H LYS A 42 34.242 -21.375 -15.188 1.00 0.00 H new ATOM 0 HA LYS A 42 32.448 -22.034 -12.983 1.00 0.00 H new ATOM 0 HB2 LYS A 42 32.501 -19.761 -15.022 1.00 0.00 H new ATOM 0 HB3 LYS A 42 31.132 -20.004 -13.955 1.00 0.00 H new ATOM 0 HG2 LYS A 42 32.230 -19.128 -12.168 1.00 0.00 H new ATOM 0 HG3 LYS A 42 33.662 -20.093 -12.470 1.00 0.00 H new ATOM 0 HD2 LYS A 42 34.141 -17.656 -12.617 1.00 0.00 H new ATOM 0 HD3 LYS A 42 34.477 -18.480 -14.127 1.00 0.00 H new ATOM 0 HE2 LYS A 42 32.512 -17.590 -15.187 1.00 0.00 H new ATOM 0 HE3 LYS A 42 31.793 -17.122 -13.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 33.114 -15.432 -15.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 33.083 -15.289 -13.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 34.420 -16.001 -14.263 1.00 0.00 H new ATOM 648 N LEU A 43 31.583 -22.425 -16.120 1.00 0.00 N ATOM 649 CA LEU A 43 30.636 -23.152 -16.940 1.00 0.00 C ATOM 650 C LEU A 43 30.378 -24.597 -16.476 1.00 0.00 C ATOM 651 O LEU A 43 29.264 -25.111 -16.561 1.00 0.00 O ATOM 652 CB LEU A 43 31.210 -23.074 -18.354 1.00 0.00 C ATOM 653 CG LEU A 43 30.482 -23.950 -19.344 1.00 0.00 C ATOM 654 CD1 LEU A 43 29.149 -23.336 -19.729 1.00 0.00 C ATOM 655 CD2 LEU A 43 31.339 -24.070 -20.583 1.00 0.00 C ATOM 0 H LEU A 43 32.322 -21.943 -16.632 1.00 0.00 H new ATOM 0 HA LEU A 43 29.643 -22.708 -16.873 1.00 0.00 H new ATOM 0 HB2 LEU A 43 31.172 -22.040 -18.697 1.00 0.00 H new ATOM 0 HB3 LEU A 43 32.261 -23.363 -18.328 1.00 0.00 H new ATOM 0 HG LEU A 43 30.298 -24.926 -18.894 1.00 0.00 H new ATOM 0 HD11 LEU A 43 28.642 -23.985 -20.443 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.530 -23.223 -18.839 1.00 0.00 H new ATOM 0 HD13 LEU A 43 29.316 -22.359 -20.182 1.00 0.00 H new ATOM 0 HD21 LEU A 43 30.834 -24.700 -21.315 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.504 -23.080 -21.008 1.00 0.00 H new ATOM 0 HD23 LEU A 43 32.298 -24.517 -20.320 1.00 0.00 H new ATOM 667 N GLY A 44 31.423 -25.251 -15.982 1.00 0.00 N ATOM 668 CA GLY A 44 31.224 -26.601 -15.456 1.00 0.00 C ATOM 669 C GLY A 44 32.388 -26.952 -14.549 1.00 0.00 C ATOM 670 O GLY A 44 32.386 -26.650 -13.357 1.00 0.00 O ATOM 0 H GLY A 44 32.376 -24.892 -15.933 1.00 0.00 H new ATOM 0 HA2 GLY A 44 30.286 -26.656 -14.904 1.00 0.00 H new ATOM 0 HA3 GLY A 44 31.154 -27.318 -16.274 1.00 0.00 H new ATOM 674 N GLN A 45 33.410 -27.563 -15.132 1.00 0.00 N ATOM 675 CA GLN A 45 34.587 -27.919 -14.316 1.00 0.00 C ATOM 676 C GLN A 45 35.719 -28.533 -15.155 1.00 0.00 C ATOM 677 O GLN A 45 36.025 -29.723 -15.054 1.00 0.00 O ATOM 678 CB GLN A 45 34.252 -28.843 -13.121 1.00 0.00 C ATOM 679 CG GLN A 45 35.192 -28.604 -11.930 1.00 0.00 C ATOM 680 CD GLN A 45 34.623 -27.568 -10.966 1.00 0.00 C ATOM 681 OE1 GLN A 45 33.948 -27.894 -9.990 1.00 0.00 O ATOM 682 NE2 GLN A 45 34.896 -26.303 -11.218 1.00 0.00 N ATOM 0 H GLN A 45 33.461 -27.817 -16.118 1.00 0.00 H new ATOM 0 HA GLN A 45 34.935 -26.971 -13.906 1.00 0.00 H new ATOM 0 HB2 GLN A 45 33.221 -28.674 -12.809 1.00 0.00 H new ATOM 0 HB3 GLN A 45 34.323 -29.884 -13.436 1.00 0.00 H new ATOM 0 HG2 GLN A 45 35.356 -29.543 -11.401 1.00 0.00 H new ATOM 0 HG3 GLN A 45 36.163 -28.269 -12.294 1.00 0.00 H new ATOM 0 HE21 GLN A 45 35.457 -26.055 -12.033 1.00 0.00 H new ATOM 0 HE22 GLN A 45 34.546 -25.572 -10.598 1.00 0.00 H new ATOM 691 N THR A 46 36.368 -27.712 -15.978 1.00 0.00 N ATOM 692 CA THR A 46 37.473 -28.228 -16.796 1.00 0.00 C ATOM 693 C THR A 46 37.010 -29.387 -17.723 1.00 0.00 C ATOM 694 O THR A 46 35.916 -29.321 -18.285 1.00 0.00 O ATOM 695 CB THR A 46 38.805 -28.399 -16.009 1.00 0.00 C ATOM 696 OG1 THR A 46 38.982 -29.760 -15.640 1.00 0.00 O ATOM 697 CG2 THR A 46 38.840 -27.549 -14.734 1.00 0.00 C ATOM 0 H THR A 46 36.161 -26.720 -16.098 1.00 0.00 H new ATOM 0 HA THR A 46 37.770 -27.458 -17.508 1.00 0.00 H new ATOM 0 HB THR A 46 39.605 -28.068 -16.671 1.00 0.00 H new ATOM 0 HG1 THR A 46 38.123 -30.136 -15.353 1.00 0.00 H new ATOM 0 HG21 THR A 46 39.789 -27.703 -14.220 1.00 0.00 H new ATOM 0 HG22 THR A 46 38.735 -26.496 -14.996 1.00 0.00 H new ATOM 0 HG23 THR A 46 38.020 -27.843 -14.078 1.00 0.00 H new ATOM 705 N TYR A 47 37.811 -30.438 -17.912 1.00 0.00 N ATOM 706 CA TYR A 47 37.385 -31.505 -18.819 1.00 0.00 C ATOM 707 C TYR A 47 38.069 -32.841 -18.465 1.00 0.00 C ATOM 708 O TYR A 47 37.642 -33.551 -17.554 1.00 0.00 O ATOM 709 CB TYR A 47 37.612 -31.115 -20.283 1.00 0.00 C ATOM 710 CG TYR A 47 36.390 -30.531 -20.961 1.00 0.00 C ATOM 711 CD1 TYR A 47 35.362 -31.338 -21.320 1.00 0.00 C ATOM 712 CD2 TYR A 47 36.424 -29.256 -21.421 1.00 0.00 C ATOM 713 CE1 TYR A 47 34.217 -30.783 -21.796 1.00 0.00 C ATOM 714 CE2 TYR A 47 35.302 -28.704 -21.952 1.00 0.00 C ATOM 715 CZ TYR A 47 34.189 -29.463 -22.113 1.00 0.00 C ATOM 716 OH TYR A 47 33.039 -28.900 -22.604 1.00 0.00 O ATOM 0 H TYR A 47 38.721 -30.572 -17.470 1.00 0.00 H new ATOM 0 HA TYR A 47 36.312 -31.647 -18.690 1.00 0.00 H new ATOM 0 HB2 TYR A 47 38.424 -30.390 -20.333 1.00 0.00 H new ATOM 0 HB3 TYR A 47 37.936 -31.996 -20.837 1.00 0.00 H new ATOM 0 HD1 TYR A 47 35.452 -32.410 -21.229 1.00 0.00 H new ATOM 0 HD2 TYR A 47 37.338 -28.683 -21.366 1.00 0.00 H new ATOM 0 HE1 TYR A 47 33.332 -31.389 -21.922 1.00 0.00 H new ATOM 0 HE2 TYR A 47 35.296 -27.665 -22.245 1.00 0.00 H new ATOM 0 HH TYR A 47 33.190 -27.947 -22.778 1.00 0.00 H new ATOM 726 N THR A 48 39.151 -33.180 -19.170 1.00 0.00 N ATOM 727 CA THR A 48 39.873 -34.423 -18.837 1.00 0.00 C ATOM 728 C THR A 48 41.322 -34.163 -18.381 1.00 0.00 C ATOM 729 O THR A 48 42.234 -34.945 -18.654 1.00 0.00 O ATOM 730 CB THR A 48 39.833 -35.464 -19.971 1.00 0.00 C ATOM 731 OG1 THR A 48 40.463 -34.932 -21.129 1.00 0.00 O ATOM 732 CG2 THR A 48 38.395 -35.851 -20.323 1.00 0.00 C ATOM 0 H THR A 48 39.539 -32.641 -19.944 1.00 0.00 H new ATOM 0 HA THR A 48 39.333 -34.849 -17.991 1.00 0.00 H new ATOM 0 HB THR A 48 40.359 -36.355 -19.627 1.00 0.00 H new ATOM 0 HG1 THR A 48 40.076 -34.056 -21.339 1.00 0.00 H new ATOM 0 HG21 THR A 48 38.403 -36.587 -21.127 1.00 0.00 H new ATOM 0 HG22 THR A 48 37.908 -36.277 -19.446 1.00 0.00 H new ATOM 0 HG23 THR A 48 37.849 -34.965 -20.648 1.00 0.00 H new ATOM 740 N LYS A 49 41.533 -33.051 -17.676 1.00 0.00 N ATOM 741 CA LYS A 49 42.861 -32.767 -17.104 1.00 0.00 C ATOM 742 C LYS A 49 43.930 -32.339 -18.123 1.00 0.00 C ATOM 743 O LYS A 49 44.152 -31.149 -18.332 1.00 0.00 O ATOM 744 CB LYS A 49 43.365 -33.854 -16.130 1.00 0.00 C ATOM 745 CG LYS A 49 42.506 -33.928 -14.860 1.00 0.00 C ATOM 746 CD LYS A 49 42.934 -32.869 -13.837 1.00 0.00 C ATOM 747 CE LYS A 49 41.986 -32.859 -12.637 1.00 0.00 C ATOM 748 NZ LYS A 49 42.404 -31.821 -11.677 1.00 0.00 N ATOM 0 H LYS A 49 40.823 -32.343 -17.487 1.00 0.00 H new ATOM 0 HA LYS A 49 42.688 -31.877 -16.499 1.00 0.00 H new ATOM 0 HB2 LYS A 49 43.357 -34.822 -16.631 1.00 0.00 H new ATOM 0 HB3 LYS A 49 44.399 -33.645 -15.857 1.00 0.00 H new ATOM 0 HG2 LYS A 49 41.457 -33.784 -15.119 1.00 0.00 H new ATOM 0 HG3 LYS A 49 42.592 -34.920 -14.417 1.00 0.00 H new ATOM 0 HD2 LYS A 49 43.951 -33.071 -13.501 1.00 0.00 H new ATOM 0 HD3 LYS A 49 42.943 -31.886 -14.307 1.00 0.00 H new ATOM 0 HE2 LYS A 49 40.966 -32.669 -12.970 1.00 0.00 H new ATOM 0 HE3 LYS A 49 41.987 -33.836 -12.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 41.756 -31.819 -10.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 43.371 -32.020 -11.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 42.381 -30.890 -12.140 1.00 0.00 H new ATOM 762 N ARG A 50 44.607 -33.293 -18.759 1.00 0.00 N ATOM 763 CA ARG A 50 45.790 -32.920 -19.559 1.00 0.00 C ATOM 764 C ARG A 50 45.505 -32.570 -21.030 1.00 0.00 C ATOM 765 O ARG A 50 45.893 -31.510 -21.529 1.00 0.00 O ATOM 766 CB ARG A 50 46.892 -33.990 -19.448 1.00 0.00 C ATOM 767 CG ARG A 50 48.298 -33.385 -19.554 1.00 0.00 C ATOM 768 CD ARG A 50 48.745 -32.799 -18.209 1.00 0.00 C ATOM 769 NE ARG A 50 49.881 -31.883 -18.398 1.00 0.00 N ATOM 770 CZ ARG A 50 49.641 -30.583 -18.503 1.00 0.00 C ATOM 771 NH1 ARG A 50 48.648 -30.145 -19.249 1.00 0.00 N ATOM 772 NH2 ARG A 50 50.408 -29.720 -17.870 1.00 0.00 N ATOM 0 H ARG A 50 44.379 -34.287 -18.745 1.00 0.00 H new ATOM 0 HA ARG A 50 46.141 -31.988 -19.116 1.00 0.00 H new ATOM 0 HB2 ARG A 50 46.794 -34.513 -18.497 1.00 0.00 H new ATOM 0 HB3 ARG A 50 46.757 -34.732 -20.235 1.00 0.00 H new ATOM 0 HG2 ARG A 50 49.004 -34.151 -19.874 1.00 0.00 H new ATOM 0 HG3 ARG A 50 48.306 -32.605 -20.316 1.00 0.00 H new ATOM 0 HD2 ARG A 50 47.915 -32.267 -17.743 1.00 0.00 H new ATOM 0 HD3 ARG A 50 49.028 -33.604 -17.531 1.00 0.00 H new ATOM 0 HE ARG A 50 50.835 -32.241 -18.447 1.00 0.00 H new ATOM 0 HH11 ARG A 50 48.057 -30.807 -19.751 1.00 0.00 H new ATOM 0 HH12 ARG A 50 48.470 -29.143 -19.324 1.00 0.00 H new ATOM 0 HH21 ARG A 50 51.186 -30.052 -17.300 1.00 0.00 H new ATOM 0 HH22 ARG A 50 50.224 -28.720 -17.950 1.00 0.00 H new ATOM 786 N GLU A 51 44.867 -33.479 -21.753 1.00 0.00 N ATOM 787 CA GLU A 51 44.589 -33.193 -23.169 1.00 0.00 C ATOM 788 C GLU A 51 43.574 -32.040 -23.358 1.00 0.00 C ATOM 789 O GLU A 51 43.716 -31.164 -24.217 1.00 0.00 O ATOM 790 CB GLU A 51 44.206 -34.481 -23.915 1.00 0.00 C ATOM 791 CG GLU A 51 44.550 -34.408 -25.409 1.00 0.00 C ATOM 792 CD GLU A 51 43.845 -35.505 -26.197 1.00 0.00 C ATOM 793 OE1 GLU A 51 42.620 -35.683 -26.023 1.00 0.00 O ATOM 794 OE2 GLU A 51 44.509 -36.188 -27.005 1.00 0.00 O ATOM 0 H GLU A 51 44.541 -34.383 -21.411 1.00 0.00 H new ATOM 0 HA GLU A 51 45.508 -32.824 -23.625 1.00 0.00 H new ATOM 0 HB2 GLU A 51 44.725 -35.328 -23.465 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.138 -34.663 -23.798 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.262 -33.433 -25.803 1.00 0.00 H new ATOM 0 HG3 GLU A 51 45.628 -34.499 -25.540 1.00 0.00 H new ATOM 801 N THR A 52 42.521 -32.030 -22.558 1.00 0.00 N ATOM 802 CA THR A 52 41.648 -30.861 -22.594 1.00 0.00 C ATOM 803 C THR A 52 42.338 -29.610 -22.004 1.00 0.00 C ATOM 804 O THR A 52 41.985 -28.475 -22.311 1.00 0.00 O ATOM 805 CB THR A 52 40.278 -31.133 -21.986 1.00 0.00 C ATOM 806 OG1 THR A 52 40.012 -32.529 -21.966 1.00 0.00 O ATOM 807 CG2 THR A 52 39.216 -30.489 -22.857 1.00 0.00 C ATOM 0 H THR A 52 42.256 -32.771 -21.909 1.00 0.00 H new ATOM 0 HA THR A 52 41.459 -30.639 -23.644 1.00 0.00 H new ATOM 0 HB THR A 52 40.265 -30.732 -20.972 1.00 0.00 H new ATOM 0 HG1 THR A 52 40.033 -32.879 -22.881 1.00 0.00 H new ATOM 0 HG21 THR A 52 38.231 -30.678 -22.430 1.00 0.00 H new ATOM 0 HG22 THR A 52 39.389 -29.414 -22.907 1.00 0.00 H new ATOM 0 HG23 THR A 52 39.263 -30.911 -23.861 1.00 0.00 H new ATOM 815 N GLU A 53 43.354 -29.803 -21.167 1.00 0.00 N ATOM 816 CA GLU A 53 44.276 -28.675 -20.896 1.00 0.00 C ATOM 817 C GLU A 53 44.828 -28.121 -22.227 1.00 0.00 C ATOM 818 O GLU A 53 45.027 -26.918 -22.396 1.00 0.00 O ATOM 819 CB GLU A 53 45.454 -28.997 -19.962 1.00 0.00 C ATOM 820 CG GLU A 53 45.314 -28.307 -18.596 1.00 0.00 C ATOM 821 CD GLU A 53 46.635 -28.314 -17.844 1.00 0.00 C ATOM 822 OE1 GLU A 53 47.616 -27.720 -18.346 1.00 0.00 O ATOM 823 OE2 GLU A 53 46.705 -28.918 -16.754 1.00 0.00 O ATOM 0 H GLU A 53 43.564 -30.675 -20.682 1.00 0.00 H new ATOM 0 HA GLU A 53 43.671 -27.937 -20.368 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.518 -30.076 -19.818 1.00 0.00 H new ATOM 0 HB3 GLU A 53 46.386 -28.683 -20.433 1.00 0.00 H new ATOM 0 HG2 GLU A 53 44.977 -27.280 -18.736 1.00 0.00 H new ATOM 0 HG3 GLU A 53 44.552 -28.815 -18.005 1.00 0.00 H new ATOM 830 N ALA A 54 45.100 -29.029 -23.171 1.00 0.00 N ATOM 831 CA ALA A 54 45.333 -28.594 -24.562 1.00 0.00 C ATOM 832 C ALA A 54 44.213 -27.702 -25.084 1.00 0.00 C ATOM 833 O ALA A 54 44.477 -26.685 -25.715 1.00 0.00 O ATOM 834 CB ALA A 54 45.475 -29.732 -25.574 1.00 0.00 C ATOM 0 H ALA A 54 45.164 -30.035 -23.012 1.00 0.00 H new ATOM 0 HA ALA A 54 46.279 -28.058 -24.489 1.00 0.00 H new ATOM 0 HB1 ALA A 54 45.643 -29.316 -26.568 1.00 0.00 H new ATOM 0 HB2 ALA A 54 46.320 -30.362 -25.296 1.00 0.00 H new ATOM 0 HB3 ALA A 54 44.563 -30.329 -25.580 1.00 0.00 H new ATOM 840 N ILE A 55 42.950 -28.098 -24.871 1.00 0.00 N ATOM 841 CA ILE A 55 41.834 -27.145 -25.182 1.00 0.00 C ATOM 842 C ILE A 55 42.208 -25.734 -24.696 1.00 0.00 C ATOM 843 O ILE A 55 42.217 -24.755 -25.445 1.00 0.00 O ATOM 844 CB ILE A 55 40.417 -27.455 -24.581 1.00 0.00 C ATOM 845 CG1 ILE A 55 39.664 -28.556 -25.306 1.00 0.00 C ATOM 846 CG2 ILE A 55 39.549 -26.200 -24.615 1.00 0.00 C ATOM 847 CD1 ILE A 55 38.236 -28.776 -24.806 1.00 0.00 C ATOM 0 H ILE A 55 42.668 -29.009 -24.508 1.00 0.00 H new ATOM 0 HA ILE A 55 41.733 -27.246 -26.263 1.00 0.00 H new ATOM 0 HB ILE A 55 40.604 -27.795 -23.562 1.00 0.00 H new ATOM 0 HG12 ILE A 55 39.632 -28.319 -26.369 1.00 0.00 H new ATOM 0 HG13 ILE A 55 40.220 -29.488 -25.204 1.00 0.00 H new ATOM 0 HG21 ILE A 55 38.568 -26.425 -24.196 1.00 0.00 H new ATOM 0 HG22 ILE A 55 40.023 -25.414 -24.027 1.00 0.00 H new ATOM 0 HG23 ILE A 55 39.435 -25.864 -25.646 1.00 0.00 H new ATOM 0 HD11 ILE A 55 37.770 -29.579 -25.377 1.00 0.00 H new ATOM 0 HD12 ILE A 55 38.258 -29.047 -23.750 1.00 0.00 H new ATOM 0 HD13 ILE A 55 37.661 -27.859 -24.934 1.00 0.00 H new ATOM 859 N MET A 56 42.507 -25.661 -23.408 1.00 0.00 N ATOM 860 CA MET A 56 42.811 -24.369 -22.785 1.00 0.00 C ATOM 861 C MET A 56 44.011 -23.637 -23.391 1.00 0.00 C ATOM 862 O MET A 56 44.007 -22.416 -23.549 1.00 0.00 O ATOM 863 CB MET A 56 43.002 -24.566 -21.278 1.00 0.00 C ATOM 864 CG MET A 56 41.660 -24.734 -20.565 1.00 0.00 C ATOM 865 SD MET A 56 40.535 -25.749 -21.543 1.00 0.00 S ATOM 866 CE MET A 56 40.370 -27.172 -20.459 1.00 0.00 C ATOM 0 H MET A 56 42.547 -26.462 -22.778 1.00 0.00 H new ATOM 0 HA MET A 56 41.957 -23.722 -22.984 1.00 0.00 H new ATOM 0 HB2 MET A 56 43.623 -25.444 -21.100 1.00 0.00 H new ATOM 0 HB3 MET A 56 43.533 -23.710 -20.862 1.00 0.00 H new ATOM 0 HG2 MET A 56 41.817 -25.194 -19.590 1.00 0.00 H new ATOM 0 HG3 MET A 56 41.213 -23.756 -20.388 1.00 0.00 H new ATOM 0 HE1 MET A 56 39.899 -27.991 -21.003 1.00 0.00 H new ATOM 0 HE2 MET A 56 41.356 -27.484 -20.115 1.00 0.00 H new ATOM 0 HE3 MET A 56 39.754 -26.906 -19.600 1.00 0.00 H new ATOM 876 N LYS A 57 45.045 -24.390 -23.730 1.00 0.00 N ATOM 877 CA LYS A 57 46.242 -23.764 -24.308 1.00 0.00 C ATOM 878 C LYS A 57 46.114 -23.443 -25.809 1.00 0.00 C ATOM 879 O LYS A 57 46.610 -22.423 -26.289 1.00 0.00 O ATOM 880 CB LYS A 57 47.512 -24.595 -24.047 1.00 0.00 C ATOM 881 CG LYS A 57 48.149 -24.278 -22.684 1.00 0.00 C ATOM 882 CD LYS A 57 47.373 -24.919 -21.527 1.00 0.00 C ATOM 883 CE LYS A 57 48.075 -24.664 -20.192 1.00 0.00 C ATOM 884 NZ LYS A 57 47.245 -25.170 -19.084 1.00 0.00 N ATOM 0 H LYS A 57 45.090 -25.403 -23.623 1.00 0.00 H new ATOM 0 HA LYS A 57 46.334 -22.810 -23.789 1.00 0.00 H new ATOM 0 HB2 LYS A 57 47.265 -25.656 -24.092 1.00 0.00 H new ATOM 0 HB3 LYS A 57 48.237 -24.403 -24.838 1.00 0.00 H new ATOM 0 HG2 LYS A 57 49.179 -24.635 -22.673 1.00 0.00 H new ATOM 0 HG3 LYS A 57 48.185 -23.198 -22.543 1.00 0.00 H new ATOM 0 HD2 LYS A 57 46.361 -24.514 -21.494 1.00 0.00 H new ATOM 0 HD3 LYS A 57 47.282 -25.992 -21.695 1.00 0.00 H new ATOM 0 HE2 LYS A 57 49.048 -25.156 -20.183 1.00 0.00 H new ATOM 0 HE3 LYS A 57 48.256 -23.597 -20.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 47.188 -24.450 -18.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 46.289 -25.381 -19.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 47.672 -26.037 -18.698 1.00 0.00 H new ATOM 898 N GLU A 58 45.453 -24.321 -26.555 1.00 0.00 N ATOM 899 CA GLU A 58 45.328 -24.109 -28.007 1.00 0.00 C ATOM 900 C GLU A 58 44.235 -23.102 -28.422 1.00 0.00 C ATOM 901 O GLU A 58 44.301 -22.506 -29.497 1.00 0.00 O ATOM 902 CB GLU A 58 45.204 -25.445 -28.763 1.00 0.00 C ATOM 903 CG GLU A 58 43.817 -26.094 -28.619 1.00 0.00 C ATOM 904 CD GLU A 58 43.869 -27.591 -28.890 1.00 0.00 C ATOM 905 OE1 GLU A 58 44.611 -28.018 -29.802 1.00 0.00 O ATOM 906 OE2 GLU A 58 43.155 -28.351 -28.199 1.00 0.00 O ATOM 0 H GLU A 58 45.004 -25.165 -26.200 1.00 0.00 H new ATOM 0 HA GLU A 58 46.262 -23.633 -28.307 1.00 0.00 H new ATOM 0 HB2 GLU A 58 45.412 -25.278 -29.820 1.00 0.00 H new ATOM 0 HB3 GLU A 58 45.962 -26.136 -28.394 1.00 0.00 H new ATOM 0 HG2 GLU A 58 43.435 -25.919 -27.613 1.00 0.00 H new ATOM 0 HG3 GLU A 58 43.120 -25.622 -29.312 1.00 0.00 H new ATOM 913 N ALA A 59 43.224 -22.925 -27.570 1.00 0.00 N ATOM 914 CA ALA A 59 42.156 -21.962 -27.873 1.00 0.00 C ATOM 915 C ALA A 59 42.655 -20.615 -28.405 1.00 0.00 C ATOM 916 O ALA A 59 42.506 -20.300 -29.584 1.00 0.00 O ATOM 917 CB ALA A 59 41.250 -21.775 -26.648 1.00 0.00 C ATOM 0 H ALA A 59 43.119 -23.421 -26.685 1.00 0.00 H new ATOM 0 HA ALA A 59 41.580 -22.393 -28.692 1.00 0.00 H new ATOM 0 HB1 ALA A 59 40.462 -21.059 -26.884 1.00 0.00 H new ATOM 0 HB2 ALA A 59 40.802 -22.731 -26.377 1.00 0.00 H new ATOM 0 HB3 ALA A 59 41.841 -21.401 -25.812 1.00 0.00 H new ATOM 923 N ARG A 60 43.279 -19.820 -27.546 1.00 0.00 N ATOM 924 CA ARG A 60 43.811 -18.544 -28.025 1.00 0.00 C ATOM 925 C ARG A 60 45.259 -18.682 -28.495 1.00 0.00 C ATOM 926 O ARG A 60 46.208 -18.388 -27.767 1.00 0.00 O ATOM 927 CB ARG A 60 43.650 -17.427 -26.986 1.00 0.00 C ATOM 928 CG ARG A 60 44.056 -16.047 -27.526 1.00 0.00 C ATOM 929 CD ARG A 60 45.520 -15.716 -27.203 1.00 0.00 C ATOM 930 NE ARG A 60 45.623 -14.346 -26.682 1.00 0.00 N ATOM 931 CZ ARG A 60 46.605 -14.030 -25.845 1.00 0.00 C ATOM 932 NH1 ARG A 60 47.741 -14.704 -25.854 1.00 0.00 N ATOM 933 NH2 ARG A 60 46.455 -13.019 -25.017 1.00 0.00 N ATOM 0 H ARG A 60 43.427 -20.019 -26.557 1.00 0.00 H new ATOM 0 HA ARG A 60 43.216 -18.253 -28.891 1.00 0.00 H new ATOM 0 HB2 ARG A 60 42.612 -17.392 -26.656 1.00 0.00 H new ATOM 0 HB3 ARG A 60 44.255 -17.662 -26.110 1.00 0.00 H new ATOM 0 HG2 ARG A 60 43.907 -16.021 -28.605 1.00 0.00 H new ATOM 0 HG3 ARG A 60 43.407 -15.283 -27.096 1.00 0.00 H new ATOM 0 HD2 ARG A 60 45.908 -16.423 -26.469 1.00 0.00 H new ATOM 0 HD3 ARG A 60 46.131 -15.820 -28.100 1.00 0.00 H new ATOM 0 HE ARG A 60 44.943 -13.640 -26.962 1.00 0.00 H new ATOM 0 HH11 ARG A 60 47.871 -15.476 -26.508 1.00 0.00 H new ATOM 0 HH12 ARG A 60 48.488 -14.453 -25.207 1.00 0.00 H new ATOM 0 HH21 ARG A 60 45.588 -12.482 -25.020 1.00 0.00 H new ATOM 0 HH22 ARG A 60 47.206 -12.772 -24.372 1.00 0.00 H new ATOM 1031 N LYS A 67 44.339 -12.264 -31.484 1.00 0.00 N ATOM 1032 CA LYS A 67 44.748 -12.825 -30.184 1.00 0.00 C ATOM 1033 C LYS A 67 43.565 -13.150 -29.245 1.00 0.00 C ATOM 1034 O LYS A 67 43.635 -12.945 -28.032 1.00 0.00 O ATOM 1035 CB LYS A 67 45.858 -12.003 -29.489 1.00 0.00 C ATOM 1036 CG LYS A 67 45.755 -10.483 -29.718 1.00 0.00 C ATOM 1037 CD LYS A 67 44.509 -9.875 -29.068 1.00 0.00 C ATOM 1038 CE LYS A 67 44.692 -9.700 -27.559 1.00 0.00 C ATOM 1039 NZ LYS A 67 43.430 -9.234 -26.957 1.00 0.00 N ATOM 0 HA LYS A 67 45.195 -13.790 -30.425 1.00 0.00 H new ATOM 0 HB2 LYS A 67 45.824 -12.201 -28.418 1.00 0.00 H new ATOM 0 HB3 LYS A 67 46.828 -12.348 -29.847 1.00 0.00 H new ATOM 0 HG2 LYS A 67 46.644 -9.997 -29.316 1.00 0.00 H new ATOM 0 HG3 LYS A 67 45.738 -10.281 -30.789 1.00 0.00 H new ATOM 0 HD2 LYS A 67 44.294 -8.908 -29.524 1.00 0.00 H new ATOM 0 HD3 LYS A 67 43.648 -10.516 -29.259 1.00 0.00 H new ATOM 0 HE2 LYS A 67 44.995 -10.645 -27.108 1.00 0.00 H new ATOM 0 HE3 LYS A 67 45.488 -8.982 -27.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 43.515 -9.245 -25.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 43.230 -8.265 -27.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 42.654 -9.862 -27.248 1.00 0.00 H new ATOM 1053 N ASN A 68 42.466 -13.659 -29.806 1.00 0.00 N ATOM 1054 CA ASN A 68 41.344 -14.091 -28.959 1.00 0.00 C ATOM 1055 C ASN A 68 40.482 -15.092 -29.729 1.00 0.00 C ATOM 1056 O ASN A 68 40.564 -15.202 -30.953 1.00 0.00 O ATOM 1057 CB ASN A 68 40.424 -12.982 -28.418 1.00 0.00 C ATOM 1058 CG ASN A 68 41.071 -11.605 -28.293 1.00 0.00 C ATOM 1059 OD1 ASN A 68 41.453 -11.167 -27.210 1.00 0.00 O ATOM 1060 ND2 ASN A 68 41.166 -10.891 -29.395 1.00 0.00 N ATOM 0 H ASN A 68 42.326 -13.781 -30.809 1.00 0.00 H new ATOM 0 HA ASN A 68 41.824 -14.524 -28.082 1.00 0.00 H new ATOM 0 HB2 ASN A 68 39.556 -12.900 -29.073 1.00 0.00 H new ATOM 0 HB3 ASN A 68 40.056 -13.283 -27.437 1.00 0.00 H new ATOM 0 HD21 ASN A 68 41.564 -9.952 -29.362 1.00 0.00 H new ATOM 0 HD22 ASN A 68 40.842 -11.277 -30.282 1.00 0.00 H new ATOM 1067 N ILE A 69 39.629 -15.817 -29.019 1.00 0.00 N ATOM 1068 CA ILE A 69 38.746 -16.743 -29.733 1.00 0.00 C ATOM 1069 C ILE A 69 37.381 -16.132 -30.017 1.00 0.00 C ATOM 1070 O ILE A 69 36.613 -15.762 -29.129 1.00 0.00 O ATOM 1071 CB ILE A 69 38.630 -18.143 -29.136 1.00 0.00 C ATOM 1072 CG1 ILE A 69 37.942 -18.144 -27.756 1.00 0.00 C ATOM 1073 CG2 ILE A 69 40.026 -18.757 -29.038 1.00 0.00 C ATOM 1074 CD1 ILE A 69 38.122 -19.469 -27.013 1.00 0.00 C ATOM 0 H ILE A 69 39.526 -15.792 -28.005 1.00 0.00 H new ATOM 0 HA ILE A 69 39.255 -16.903 -30.684 1.00 0.00 H new ATOM 0 HB ILE A 69 38.000 -18.740 -29.795 1.00 0.00 H new ATOM 0 HG12 ILE A 69 38.348 -17.334 -27.151 1.00 0.00 H new ATOM 0 HG13 ILE A 69 36.878 -17.944 -27.884 1.00 0.00 H new ATOM 0 HG21 ILE A 69 39.954 -19.758 -28.612 1.00 0.00 H new ATOM 0 HG22 ILE A 69 40.468 -18.816 -30.033 1.00 0.00 H new ATOM 0 HG23 ILE A 69 40.653 -18.135 -28.399 1.00 0.00 H new ATOM 0 HD11 ILE A 69 37.619 -19.416 -26.048 1.00 0.00 H new ATOM 0 HD12 ILE A 69 37.692 -20.278 -27.603 1.00 0.00 H new ATOM 0 HD13 ILE A 69 39.184 -19.658 -26.858 1.00 0.00 H new ATOM 1086 N GLY A 70 37.099 -16.044 -31.298 1.00 0.00 N ATOM 1087 CA GLY A 70 35.901 -15.312 -31.726 1.00 0.00 C ATOM 1088 C GLY A 70 34.698 -16.208 -32.036 1.00 0.00 C ATOM 1089 O GLY A 70 34.570 -17.311 -31.502 1.00 0.00 O ATOM 0 H GLY A 70 37.655 -16.452 -32.050 1.00 0.00 H new ATOM 0 HA2 GLY A 70 35.622 -14.605 -30.945 1.00 0.00 H new ATOM 0 HA3 GLY A 70 36.143 -14.727 -32.613 1.00 0.00 H new ATOM 1093 N PRO A 71 33.752 -15.663 -32.824 1.00 0.00 N ATOM 1094 CA PRO A 71 32.460 -16.334 -33.067 1.00 0.00 C ATOM 1095 C PRO A 71 32.470 -17.867 -32.980 1.00 0.00 C ATOM 1096 O PRO A 71 31.743 -18.462 -32.185 1.00 0.00 O ATOM 1097 CB PRO A 71 32.022 -15.858 -34.460 1.00 0.00 C ATOM 1098 CG PRO A 71 33.008 -14.781 -34.914 1.00 0.00 C ATOM 1099 CD PRO A 71 34.144 -14.750 -33.895 1.00 0.00 C ATOM 0 HA PRO A 71 31.767 -16.062 -32.271 1.00 0.00 H new ATOM 0 HB2 PRO A 71 32.014 -16.690 -35.164 1.00 0.00 H new ATOM 0 HB3 PRO A 71 31.008 -15.459 -34.427 1.00 0.00 H new ATOM 0 HG2 PRO A 71 33.391 -15.005 -35.910 1.00 0.00 H new ATOM 0 HG3 PRO A 71 32.517 -13.810 -34.972 1.00 0.00 H new ATOM 0 HD2 PRO A 71 35.084 -15.063 -34.350 1.00 0.00 H new ATOM 0 HD3 PRO A 71 34.296 -13.741 -33.511 1.00 0.00 H new ATOM 1107 N GLU A 72 33.277 -18.517 -33.807 1.00 0.00 N ATOM 1108 CA GLU A 72 33.163 -19.975 -33.903 1.00 0.00 C ATOM 1109 C GLU A 72 34.243 -20.824 -33.206 1.00 0.00 C ATOM 1110 O GLU A 72 33.937 -21.926 -32.755 1.00 0.00 O ATOM 1111 CB GLU A 72 32.830 -20.440 -35.326 1.00 0.00 C ATOM 1112 CG GLU A 72 34.038 -20.389 -36.275 1.00 0.00 C ATOM 1113 CD GLU A 72 34.773 -21.721 -36.340 1.00 0.00 C ATOM 1114 OE1 GLU A 72 34.109 -22.778 -36.426 1.00 0.00 O ATOM 1115 OE2 GLU A 72 36.022 -21.716 -36.316 1.00 0.00 O ATOM 0 H GLU A 72 33.988 -18.088 -34.398 1.00 0.00 H new ATOM 0 HA GLU A 72 32.300 -20.191 -33.273 1.00 0.00 H new ATOM 0 HB2 GLU A 72 32.448 -21.460 -35.288 1.00 0.00 H new ATOM 0 HB3 GLU A 72 32.033 -19.816 -35.729 1.00 0.00 H new ATOM 0 HG2 GLU A 72 33.702 -20.112 -37.274 1.00 0.00 H new ATOM 0 HG3 GLU A 72 34.726 -19.612 -35.943 1.00 0.00 H new ATOM 1122 N GLU A 73 35.494 -20.352 -33.097 1.00 0.00 N ATOM 1123 CA GLU A 73 36.536 -21.214 -32.510 1.00 0.00 C ATOM 1124 C GLU A 73 36.124 -21.885 -31.202 1.00 0.00 C ATOM 1125 O GLU A 73 36.281 -23.093 -31.034 1.00 0.00 O ATOM 1126 CB GLU A 73 37.877 -20.473 -32.355 1.00 0.00 C ATOM 1127 CG GLU A 73 38.929 -21.272 -31.551 1.00 0.00 C ATOM 1128 CD GLU A 73 40.331 -21.005 -32.073 1.00 0.00 C ATOM 1129 OE1 GLU A 73 40.705 -19.822 -32.222 1.00 0.00 O ATOM 1130 OE2 GLU A 73 41.066 -21.980 -32.337 1.00 0.00 O ATOM 0 H GLU A 73 35.802 -19.425 -33.391 1.00 0.00 H new ATOM 0 HA GLU A 73 36.672 -22.021 -33.230 1.00 0.00 H new ATOM 0 HB2 GLU A 73 38.278 -20.251 -33.344 1.00 0.00 H new ATOM 0 HB3 GLU A 73 37.701 -19.518 -31.861 1.00 0.00 H new ATOM 0 HG2 GLU A 73 38.871 -20.999 -30.497 1.00 0.00 H new ATOM 0 HG3 GLU A 73 38.710 -22.338 -31.616 1.00 0.00 H new ATOM 1137 N TRP A 74 35.553 -21.124 -30.281 1.00 0.00 N ATOM 1138 CA TRP A 74 35.182 -21.735 -29.002 1.00 0.00 C ATOM 1139 C TRP A 74 34.127 -22.851 -29.113 1.00 0.00 C ATOM 1140 O TRP A 74 34.241 -23.880 -28.446 1.00 0.00 O ATOM 1141 CB TRP A 74 34.942 -20.662 -27.921 1.00 0.00 C ATOM 1142 CG TRP A 74 33.861 -20.997 -26.902 1.00 0.00 C ATOM 1143 CD1 TRP A 74 32.809 -20.102 -26.722 1.00 0.00 C ATOM 1144 CD2 TRP A 74 34.113 -21.562 -25.676 1.00 0.00 C ATOM 1145 NE1 TRP A 74 32.423 -20.019 -25.373 1.00 0.00 N ATOM 1146 CE2 TRP A 74 33.227 -20.997 -24.765 1.00 0.00 C ATOM 1147 CE3 TRP A 74 35.357 -21.970 -25.243 1.00 0.00 C ATOM 1148 CZ2 TRP A 74 33.526 -21.022 -23.445 1.00 0.00 C ATOM 1149 CZ3 TRP A 74 35.570 -22.073 -23.898 1.00 0.00 C ATOM 1150 CH2 TRP A 74 34.566 -21.786 -23.035 1.00 0.00 C ATOM 0 H TRP A 74 35.342 -20.131 -30.379 1.00 0.00 H new ATOM 0 HA TRP A 74 36.041 -22.303 -28.645 1.00 0.00 H new ATOM 0 HB2 TRP A 74 35.878 -20.489 -27.390 1.00 0.00 H new ATOM 0 HB3 TRP A 74 34.677 -19.726 -28.413 1.00 0.00 H new ATOM 0 HD1 TRP A 74 32.347 -19.541 -27.521 1.00 0.00 H new ATOM 0 HE1 TRP A 74 31.732 -19.403 -24.944 1.00 0.00 H new ATOM 0 HE3 TRP A 74 36.141 -22.202 -25.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 32.949 -20.447 -22.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 36.535 -22.382 -23.524 1.00 0.00 H new ATOM 0 HH2 TRP A 74 34.595 -22.165 -22.024 1.00 0.00 H new ATOM 1161 N LEU A 75 33.127 -22.698 -29.981 1.00 0.00 N ATOM 1162 CA LEU A 75 32.186 -23.816 -30.153 1.00 0.00 C ATOM 1163 C LEU A 75 32.712 -24.922 -31.069 1.00 0.00 C ATOM 1164 O LEU A 75 32.533 -26.099 -30.768 1.00 0.00 O ATOM 1165 CB LEU A 75 30.749 -23.428 -30.521 1.00 0.00 C ATOM 1166 CG LEU A 75 29.744 -24.205 -29.652 1.00 0.00 C ATOM 1167 CD1 LEU A 75 28.341 -23.830 -29.988 1.00 0.00 C ATOM 1168 CD2 LEU A 75 29.743 -25.701 -29.923 1.00 0.00 C ATOM 0 H LEU A 75 32.948 -21.868 -30.546 1.00 0.00 H new ATOM 0 HA LEU A 75 32.121 -24.221 -29.143 1.00 0.00 H new ATOM 0 HB2 LEU A 75 30.608 -22.356 -30.381 1.00 0.00 H new ATOM 0 HB3 LEU A 75 30.567 -23.639 -31.575 1.00 0.00 H new ATOM 0 HG LEU A 75 30.048 -23.966 -28.633 1.00 0.00 H new ATOM 0 HD11 LEU A 75 27.653 -24.394 -29.359 1.00 0.00 H new ATOM 0 HD12 LEU A 75 28.198 -22.763 -29.816 1.00 0.00 H new ATOM 0 HD13 LEU A 75 28.144 -24.058 -31.036 1.00 0.00 H new ATOM 0 HD21 LEU A 75 29.012 -26.187 -29.277 1.00 0.00 H new ATOM 0 HD22 LEU A 75 29.482 -25.882 -30.966 1.00 0.00 H new ATOM 0 HD23 LEU A 75 30.734 -26.108 -29.721 1.00 0.00 H new ATOM 1180 N THR A 76 33.347 -24.602 -32.198 1.00 0.00 N ATOM 1181 CA THR A 76 33.951 -25.697 -32.974 1.00 0.00 C ATOM 1182 C THR A 76 34.979 -26.469 -32.148 1.00 0.00 C ATOM 1183 O THR A 76 34.971 -27.697 -32.108 1.00 0.00 O ATOM 1184 CB THR A 76 34.537 -25.319 -34.338 1.00 0.00 C ATOM 1185 OG1 THR A 76 33.503 -24.828 -35.180 1.00 0.00 O ATOM 1186 CG2 THR A 76 35.652 -24.278 -34.244 1.00 0.00 C ATOM 0 H THR A 76 33.456 -23.663 -32.580 1.00 0.00 H new ATOM 0 HA THR A 76 33.101 -26.337 -33.208 1.00 0.00 H new ATOM 0 HB THR A 76 34.979 -26.224 -34.755 1.00 0.00 H new ATOM 0 HG1 THR A 76 33.897 -24.328 -35.925 1.00 0.00 H new ATOM 0 HG21 THR A 76 36.025 -24.053 -35.243 1.00 0.00 H new ATOM 0 HG22 THR A 76 35.262 -23.368 -33.789 1.00 0.00 H new ATOM 0 HG23 THR A 76 36.465 -24.670 -33.633 1.00 0.00 H new ATOM 1194 N LEU A 77 35.863 -25.751 -31.470 1.00 0.00 N ATOM 1195 CA LEU A 77 36.768 -26.415 -30.539 1.00 0.00 C ATOM 1196 C LEU A 77 36.040 -27.312 -29.554 1.00 0.00 C ATOM 1197 O LEU A 77 36.324 -28.502 -29.451 1.00 0.00 O ATOM 1198 CB LEU A 77 37.559 -25.375 -29.767 1.00 0.00 C ATOM 1199 CG LEU A 77 38.877 -25.878 -29.201 1.00 0.00 C ATOM 1200 CD1 LEU A 77 39.568 -24.649 -28.727 1.00 0.00 C ATOM 1201 CD2 LEU A 77 38.756 -26.710 -27.953 1.00 0.00 C ATOM 0 H LEU A 77 35.974 -24.740 -31.541 1.00 0.00 H new ATOM 0 HA LEU A 77 37.431 -27.044 -31.133 1.00 0.00 H new ATOM 0 HB2 LEU A 77 37.760 -24.528 -30.424 1.00 0.00 H new ATOM 0 HB3 LEU A 77 36.944 -25.004 -28.947 1.00 0.00 H new ATOM 0 HG LEU A 77 39.358 -26.479 -29.973 1.00 0.00 H new ATOM 0 HD11 LEU A 77 40.534 -24.917 -28.300 1.00 0.00 H new ATOM 0 HD12 LEU A 77 39.718 -23.969 -29.566 1.00 0.00 H new ATOM 0 HD13 LEU A 77 38.959 -24.159 -27.967 1.00 0.00 H new ATOM 0 HD21 LEU A 77 39.748 -27.022 -27.626 1.00 0.00 H new ATOM 0 HD22 LEU A 77 38.283 -26.121 -27.167 1.00 0.00 H new ATOM 0 HD23 LEU A 77 38.149 -27.591 -28.161 1.00 0.00 H new ATOM 1213 N CYS A 78 35.063 -26.757 -28.847 1.00 0.00 N ATOM 1214 CA CYS A 78 34.340 -27.573 -27.877 1.00 0.00 C ATOM 1215 C CYS A 78 33.594 -28.750 -28.516 1.00 0.00 C ATOM 1216 O CYS A 78 33.607 -29.864 -27.994 1.00 0.00 O ATOM 1217 CB CYS A 78 33.436 -26.745 -26.961 1.00 0.00 C ATOM 1218 SG CYS A 78 34.457 -25.547 -26.038 1.00 0.00 S ATOM 0 H CYS A 78 34.761 -25.785 -28.920 1.00 0.00 H new ATOM 0 HA CYS A 78 35.108 -28.012 -27.240 1.00 0.00 H new ATOM 0 HB2 CYS A 78 32.682 -26.222 -27.550 1.00 0.00 H new ATOM 0 HB3 CYS A 78 32.904 -27.397 -26.269 1.00 0.00 H new ATOM 0 HG CYS A 78 34.651 -24.489 -26.768 1.00 0.00 H new ATOM 1224 N SER A 79 32.965 -28.530 -29.667 1.00 0.00 N ATOM 1225 CA SER A 79 32.313 -29.654 -30.356 1.00 0.00 C ATOM 1226 C SER A 79 33.302 -30.748 -30.781 1.00 0.00 C ATOM 1227 O SER A 79 33.181 -31.922 -30.401 1.00 0.00 O ATOM 1228 CB SER A 79 31.486 -29.181 -31.558 1.00 0.00 C ATOM 1229 OG SER A 79 30.914 -27.905 -31.314 1.00 0.00 O ATOM 0 H SER A 79 32.890 -27.625 -30.132 1.00 0.00 H new ATOM 0 HA SER A 79 31.636 -30.098 -29.626 1.00 0.00 H new ATOM 0 HB2 SER A 79 32.119 -29.136 -32.444 1.00 0.00 H new ATOM 0 HB3 SER A 79 30.697 -29.903 -31.767 1.00 0.00 H new ATOM 0 HG SER A 79 31.561 -27.207 -31.546 1.00 0.00 H new ATOM 1235 N LYS A 80 34.286 -30.325 -31.580 1.00 0.00 N ATOM 1236 CA LYS A 80 35.317 -31.253 -32.051 1.00 0.00 C ATOM 1237 C LYS A 80 36.089 -31.922 -30.918 1.00 0.00 C ATOM 1238 O LYS A 80 36.367 -33.119 -30.957 1.00 0.00 O ATOM 1239 CB LYS A 80 36.297 -30.575 -33.025 1.00 0.00 C ATOM 1240 CG LYS A 80 35.705 -30.421 -34.433 1.00 0.00 C ATOM 1241 CD LYS A 80 34.883 -29.137 -34.561 1.00 0.00 C ATOM 1242 CE LYS A 80 34.263 -29.035 -35.951 1.00 0.00 C ATOM 1243 NZ LYS A 80 33.347 -27.881 -36.024 1.00 0.00 N ATOM 0 H LYS A 80 34.390 -29.365 -31.909 1.00 0.00 H new ATOM 0 HA LYS A 80 34.776 -32.036 -32.582 1.00 0.00 H new ATOM 0 HB2 LYS A 80 36.569 -29.593 -32.638 1.00 0.00 H new ATOM 0 HB3 LYS A 80 37.214 -31.161 -33.081 1.00 0.00 H new ATOM 0 HG2 LYS A 80 36.510 -30.413 -35.168 1.00 0.00 H new ATOM 0 HG3 LYS A 80 35.075 -31.281 -34.660 1.00 0.00 H new ATOM 0 HD2 LYS A 80 34.098 -29.124 -33.805 1.00 0.00 H new ATOM 0 HD3 LYS A 80 35.519 -28.271 -34.376 1.00 0.00 H new ATOM 0 HE2 LYS A 80 35.049 -28.931 -36.699 1.00 0.00 H new ATOM 0 HE3 LYS A 80 33.721 -29.952 -36.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 32.543 -28.114 -36.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 32.997 -27.655 -35.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 33.854 -27.059 -36.411 1.00 0.00 H new ATOM 1257 N TRP A 81 36.460 -31.147 -29.905 1.00 0.00 N ATOM 1258 CA TRP A 81 37.086 -31.760 -28.733 1.00 0.00 C ATOM 1259 C TRP A 81 36.198 -32.802 -28.056 1.00 0.00 C ATOM 1260 O TRP A 81 36.651 -33.861 -27.620 1.00 0.00 O ATOM 1261 CB TRP A 81 37.500 -30.729 -27.659 1.00 0.00 C ATOM 1262 CG TRP A 81 38.986 -30.707 -27.491 1.00 0.00 C ATOM 1263 CD1 TRP A 81 39.875 -29.974 -28.267 1.00 0.00 C ATOM 1264 CD2 TRP A 81 39.621 -31.805 -27.051 1.00 0.00 C ATOM 1265 NE1 TRP A 81 41.141 -30.601 -28.265 1.00 0.00 N ATOM 1266 CE2 TRP A 81 40.942 -31.737 -27.458 1.00 0.00 C ATOM 1267 CE3 TRP A 81 39.274 -32.412 -25.883 1.00 0.00 C ATOM 1268 CZ2 TRP A 81 41.899 -32.223 -26.629 1.00 0.00 C ATOM 1269 CZ3 TRP A 81 40.220 -33.078 -25.193 1.00 0.00 C ATOM 1270 CH2 TRP A 81 41.526 -32.952 -25.537 1.00 0.00 C ATOM 0 H TRP A 81 36.346 -30.134 -29.866 1.00 0.00 H new ATOM 0 HA TRP A 81 37.975 -32.244 -29.137 1.00 0.00 H new ATOM 0 HB2 TRP A 81 37.147 -29.738 -27.944 1.00 0.00 H new ATOM 0 HB3 TRP A 81 37.025 -30.976 -26.709 1.00 0.00 H new ATOM 0 HD1 TRP A 81 39.634 -29.062 -28.793 1.00 0.00 H new ATOM 0 HE1 TRP A 81 41.995 -30.302 -28.736 1.00 0.00 H new ATOM 0 HE3 TRP A 81 38.259 -32.361 -25.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 42.943 -32.036 -26.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 39.938 -33.713 -24.366 1.00 0.00 H new ATOM 0 HH2 TRP A 81 42.283 -33.436 -24.937 1.00 0.00 H new ATOM 1281 N VAL A 82 34.914 -32.495 -27.985 1.00 0.00 N ATOM 1282 CA VAL A 82 34.035 -33.311 -27.149 1.00 0.00 C ATOM 1283 C VAL A 82 33.495 -34.569 -27.846 1.00 0.00 C ATOM 1284 O VAL A 82 34.085 -35.642 -27.712 1.00 0.00 O ATOM 1285 CB VAL A 82 32.951 -32.452 -26.456 1.00 0.00 C ATOM 1286 CG1 VAL A 82 31.959 -33.317 -25.673 1.00 0.00 C ATOM 1287 CG2 VAL A 82 33.602 -31.458 -25.485 1.00 0.00 C ATOM 0 H VAL A 82 34.465 -31.720 -28.473 1.00 0.00 H new ATOM 0 HA VAL A 82 34.657 -33.717 -26.352 1.00 0.00 H new ATOM 0 HB VAL A 82 32.413 -31.920 -27.241 1.00 0.00 H new ATOM 0 HG11 VAL A 82 31.213 -32.678 -25.200 1.00 0.00 H new ATOM 0 HG12 VAL A 82 31.464 -34.010 -26.354 1.00 0.00 H new ATOM 0 HG13 VAL A 82 32.493 -33.880 -24.907 1.00 0.00 H new ATOM 0 HG21 VAL A 82 32.828 -30.860 -25.004 1.00 0.00 H new ATOM 0 HG22 VAL A 82 34.162 -32.004 -24.726 1.00 0.00 H new ATOM 0 HG23 VAL A 82 34.278 -30.803 -26.034 1.00 0.00 H new