USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 414 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 50 CYS SG : rot 70:sc= -0.37 USER MOD Set 1.2: A 53 CYS SG : rot -46:sc= -0.296 USER MOD Set 1.3: A 66 HIS : no HD1:sc= -2.06 X(o=-3.8,f=-3.4) USER MOD Set 1.4: A 70 CYS SG : rot 180:sc= -1.13 USER MOD Set 2.1: A 18 CYS SG : rot 170:sc= 0.494 USER MOD Set 2.2: A 21 CYS SG : rot -55:sc= -0.809 USER MOD Set 2.3: A 34 HIS : no HD1:sc= -1.13 K(o=-4.3,f=-5.1) USER MOD Set 2.4: A 39 HIS : no HD1:sc= -2.87 K(o=-4.3,f=-3) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -4.07 K(o=-4.1,f=-5.9) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 MET CE :methyl 163:sc= -0.158 (180deg=-0.599) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 1.06 K(o=1.1,f=-0.85) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 152:sc= -0.0795 (180deg=-1.15) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0293 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0.273 K(o=0.27,f=-4.5!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.262 X(o=-0.26,f=0) USER MOD ----------------------------------------------------------------- ATOM 193 N TYR A 16 -17.064 4.447 3.368 1.00 0.00 N ATOM 194 CA TYR A 16 -16.012 4.935 2.484 1.00 0.00 C ATOM 195 C TYR A 16 -16.475 4.926 1.030 1.00 0.00 C ATOM 196 O TYR A 16 -16.460 3.889 0.369 1.00 0.00 O ATOM 197 CB TYR A 16 -14.752 4.082 2.635 1.00 0.00 C ATOM 198 CG TYR A 16 -14.318 3.892 4.070 1.00 0.00 C ATOM 199 CD1 TYR A 16 -14.866 2.886 4.856 1.00 0.00 C ATOM 200 CD2 TYR A 16 -13.357 4.718 4.641 1.00 0.00 C ATOM 201 CE1 TYR A 16 -14.472 2.709 6.168 1.00 0.00 C ATOM 202 CE2 TYR A 16 -12.957 4.549 5.952 1.00 0.00 C ATOM 203 CZ TYR A 16 -13.517 3.543 6.712 1.00 0.00 C ATOM 204 OH TYR A 16 -13.121 3.370 8.018 1.00 0.00 O ATOM 0 HA TYR A 16 -15.782 5.962 2.767 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -14.929 3.105 2.185 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -13.939 4.547 2.077 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -15.613 2.231 4.434 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -12.915 5.506 4.049 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -14.909 1.922 6.765 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -12.210 5.201 6.380 1.00 0.00 H new ATOM 0 HH TYR A 16 -12.441 4.039 8.245 1.00 0.00 H new ATOM 214 N ALA A 17 -16.886 6.091 0.540 1.00 0.00 N ATOM 215 CA ALA A 17 -17.352 6.219 -0.836 1.00 0.00 C ATOM 216 C ALA A 17 -16.449 7.153 -1.635 1.00 0.00 C ATOM 217 O ALA A 17 -16.393 8.355 -1.373 1.00 0.00 O ATOM 218 CB ALA A 17 -18.788 6.720 -0.862 1.00 0.00 C ATOM 0 H ALA A 17 -16.906 6.959 1.075 1.00 0.00 H new ATOM 0 HA ALA A 17 -17.315 5.234 -1.300 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -19.123 6.811 -1.895 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -19.429 6.015 -0.333 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -18.842 7.694 -0.376 1.00 0.00 H new ATOM 224 N CYS A 18 -15.744 6.593 -2.612 1.00 0.00 N ATOM 225 CA CYS A 18 -14.842 7.374 -3.450 1.00 0.00 C ATOM 226 C CYS A 18 -15.546 8.612 -3.999 1.00 0.00 C ATOM 227 O CYS A 18 -16.741 8.581 -4.292 1.00 0.00 O ATOM 228 CB CYS A 18 -14.316 6.519 -4.605 1.00 0.00 C ATOM 229 SG CYS A 18 -12.849 7.212 -5.434 1.00 0.00 S ATOM 0 H CYS A 18 -15.780 5.600 -2.843 1.00 0.00 H new ATOM 0 HA CYS A 18 -14.002 7.697 -2.834 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -14.071 5.527 -4.226 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -15.110 6.393 -5.341 1.00 0.00 H new ATOM 0 HG CYS A 18 -12.352 6.328 -6.247 1.00 0.00 H new ATOM 234 N SER A 19 -14.796 9.701 -4.136 1.00 0.00 N ATOM 235 CA SER A 19 -15.347 10.950 -4.646 1.00 0.00 C ATOM 236 C SER A 19 -15.189 11.035 -6.161 1.00 0.00 C ATOM 237 O SER A 19 -16.100 11.469 -6.868 1.00 0.00 O ATOM 238 CB SER A 19 -14.660 12.145 -3.982 1.00 0.00 C ATOM 239 OG SER A 19 -15.212 13.368 -4.436 1.00 0.00 O ATOM 0 H SER A 19 -13.804 9.743 -3.901 1.00 0.00 H new ATOM 0 HA SER A 19 -16.410 10.973 -4.407 1.00 0.00 H new ATOM 0 HB2 SER A 19 -14.766 12.074 -2.900 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.592 12.121 -4.200 1.00 0.00 H new ATOM 0 HG SER A 19 -14.757 14.116 -3.996 1.00 0.00 H new ATOM 245 N HIS A 20 -14.027 10.619 -6.653 1.00 0.00 N ATOM 246 CA HIS A 20 -13.748 10.647 -8.084 1.00 0.00 C ATOM 247 C HIS A 20 -14.758 9.798 -8.851 1.00 0.00 C ATOM 248 O HIS A 20 -15.122 10.119 -9.983 1.00 0.00 O ATOM 249 CB HIS A 20 -12.330 10.146 -8.359 1.00 0.00 C ATOM 250 CG HIS A 20 -11.261 11.055 -7.834 1.00 0.00 C ATOM 251 ND1 HIS A 20 -11.346 11.689 -6.613 1.00 0.00 N ATOM 252 CD2 HIS A 20 -10.078 11.433 -8.372 1.00 0.00 C ATOM 253 CE1 HIS A 20 -10.262 12.420 -6.422 1.00 0.00 C ATOM 254 NE2 HIS A 20 -9.476 12.281 -7.475 1.00 0.00 N ATOM 0 H HIS A 20 -13.263 10.258 -6.082 1.00 0.00 H new ATOM 0 HA HIS A 20 -13.833 11.679 -8.425 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -12.209 9.160 -7.911 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -12.198 10.026 -9.434 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -9.681 11.125 -9.328 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -10.054 13.027 -5.554 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -8.569 12.731 -7.601 1.00 0.00 H new ATOM 262 N CYS A 21 -15.206 8.713 -8.228 1.00 0.00 N ATOM 263 CA CYS A 21 -16.172 7.817 -8.851 1.00 0.00 C ATOM 264 C CYS A 21 -17.287 7.455 -7.874 1.00 0.00 C ATOM 265 O CYS A 21 -17.286 7.894 -6.724 1.00 0.00 O ATOM 266 CB CYS A 21 -15.477 6.546 -9.342 1.00 0.00 C ATOM 267 SG CYS A 21 -14.859 5.473 -8.006 1.00 0.00 S ATOM 0 H CYS A 21 -14.915 8.433 -7.291 1.00 0.00 H new ATOM 0 HA CYS A 21 -16.613 8.334 -9.703 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -16.175 5.977 -9.957 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -14.642 6.826 -9.984 1.00 0.00 H new ATOM 0 HG CYS A 21 -14.082 6.160 -7.222 1.00 0.00 H new ATOM 272 N ASP A 22 -18.238 6.653 -8.341 1.00 0.00 N ATOM 273 CA ASP A 22 -19.359 6.231 -7.509 1.00 0.00 C ATOM 274 C ASP A 22 -19.113 4.841 -6.931 1.00 0.00 C ATOM 275 O ASP A 22 -19.949 3.946 -7.059 1.00 0.00 O ATOM 276 CB ASP A 22 -20.655 6.237 -8.321 1.00 0.00 C ATOM 277 CG ASP A 22 -21.883 6.403 -7.449 1.00 0.00 C ATOM 278 OD1 ASP A 22 -22.326 5.401 -6.850 1.00 0.00 O ATOM 279 OD2 ASP A 22 -22.404 7.536 -7.366 1.00 0.00 O ATOM 0 H ASP A 22 -18.255 6.282 -9.291 1.00 0.00 H new ATOM 0 HA ASP A 22 -19.453 6.937 -6.684 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -20.619 7.046 -9.051 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -20.734 5.305 -8.881 1.00 0.00 H new ATOM 284 N LYS A 23 -17.960 4.666 -6.294 1.00 0.00 N ATOM 285 CA LYS A 23 -17.602 3.385 -5.695 1.00 0.00 C ATOM 286 C LYS A 23 -17.553 3.491 -4.174 1.00 0.00 C ATOM 287 O LYS A 23 -17.221 4.541 -3.624 1.00 0.00 O ATOM 288 CB LYS A 23 -16.248 2.910 -6.228 1.00 0.00 C ATOM 289 CG LYS A 23 -16.307 2.375 -7.648 1.00 0.00 C ATOM 290 CD LYS A 23 -16.670 0.900 -7.674 1.00 0.00 C ATOM 291 CE LYS A 23 -16.299 0.257 -9.002 1.00 0.00 C ATOM 292 NZ LYS A 23 -16.848 -1.121 -9.123 1.00 0.00 N ATOM 0 H LYS A 23 -17.257 5.396 -6.179 1.00 0.00 H new ATOM 0 HA LYS A 23 -18.368 2.658 -5.967 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -15.541 3.739 -6.190 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -15.861 2.131 -5.571 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -17.041 2.941 -8.221 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -15.342 2.522 -8.133 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.157 0.384 -6.863 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -17.740 0.784 -7.499 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -16.675 0.871 -9.820 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -15.214 0.226 -9.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.573 -1.525 -10.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.470 -1.714 -8.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -17.885 -1.089 -9.055 1.00 0.00 H new ATOM 306 N THR A 24 -17.885 2.395 -3.499 1.00 0.00 N ATOM 307 CA THR A 24 -17.879 2.364 -2.042 1.00 0.00 C ATOM 308 C THR A 24 -17.104 1.159 -1.521 1.00 0.00 C ATOM 309 O THR A 24 -16.970 0.149 -2.211 1.00 0.00 O ATOM 310 CB THR A 24 -19.311 2.324 -1.475 1.00 0.00 C ATOM 311 OG1 THR A 24 -20.046 1.252 -2.075 1.00 0.00 O ATOM 312 CG2 THR A 24 -20.029 3.641 -1.725 1.00 0.00 C ATOM 0 H THR A 24 -18.161 1.517 -3.938 1.00 0.00 H new ATOM 0 HA THR A 24 -17.390 3.279 -1.708 1.00 0.00 H new ATOM 0 HB THR A 24 -19.248 2.162 -0.399 1.00 0.00 H new ATOM 0 HG1 THR A 24 -20.954 1.233 -1.708 1.00 0.00 H new ATOM 0 HG21 THR A 24 -21.038 3.589 -1.316 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.483 4.451 -1.241 1.00 0.00 H new ATOM 0 HG23 THR A 24 -20.082 3.829 -2.797 1.00 0.00 H new ATOM 320 N PHE A 25 -16.597 1.272 -0.298 1.00 0.00 N ATOM 321 CA PHE A 25 -15.834 0.191 0.316 1.00 0.00 C ATOM 322 C PHE A 25 -16.035 0.174 1.829 1.00 0.00 C ATOM 323 O PHE A 25 -16.029 1.220 2.478 1.00 0.00 O ATOM 324 CB PHE A 25 -14.347 0.337 -0.010 1.00 0.00 C ATOM 325 CG PHE A 25 -14.082 0.730 -1.436 1.00 0.00 C ATOM 326 CD1 PHE A 25 -14.270 2.037 -1.855 1.00 0.00 C ATOM 327 CD2 PHE A 25 -13.645 -0.209 -2.357 1.00 0.00 C ATOM 328 CE1 PHE A 25 -14.027 2.401 -3.166 1.00 0.00 C ATOM 329 CE2 PHE A 25 -13.400 0.150 -3.669 1.00 0.00 C ATOM 330 CZ PHE A 25 -13.592 1.456 -4.074 1.00 0.00 C ATOM 0 H PHE A 25 -16.700 2.101 0.288 1.00 0.00 H new ATOM 0 HA PHE A 25 -16.197 -0.752 -0.092 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -13.910 1.085 0.652 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -13.843 -0.607 0.198 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -14.610 2.780 -1.149 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -13.494 -1.232 -2.046 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -14.177 3.423 -3.480 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -13.059 -0.591 -4.377 1.00 0.00 H new ATOM 0 HZ PHE A 25 -13.402 1.738 -5.099 1.00 0.00 H new ATOM 340 N ARG A 26 -16.215 -1.020 2.383 1.00 0.00 N ATOM 341 CA ARG A 26 -16.419 -1.174 3.818 1.00 0.00 C ATOM 342 C ARG A 26 -15.096 -1.069 4.570 1.00 0.00 C ATOM 343 O ARG A 26 -15.075 -0.975 5.797 1.00 0.00 O ATOM 344 CB ARG A 26 -17.085 -2.518 4.119 1.00 0.00 C ATOM 345 CG ARG A 26 -16.154 -3.708 3.954 1.00 0.00 C ATOM 346 CD ARG A 26 -15.529 -4.115 5.279 1.00 0.00 C ATOM 347 NE ARG A 26 -16.506 -4.712 6.185 1.00 0.00 N ATOM 348 CZ ARG A 26 -16.207 -5.155 7.402 1.00 0.00 C ATOM 349 NH1 ARG A 26 -14.964 -5.067 7.855 1.00 0.00 N ATOM 350 NH2 ARG A 26 -17.152 -5.686 8.167 1.00 0.00 N ATOM 0 H ARG A 26 -16.224 -1.895 1.860 1.00 0.00 H new ATOM 0 HA ARG A 26 -17.073 -0.369 4.155 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -17.467 -2.505 5.140 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -17.944 -2.645 3.459 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -16.708 -4.550 3.538 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -15.368 -3.460 3.241 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -14.723 -4.825 5.096 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -15.082 -3.241 5.753 1.00 0.00 H new ATOM 0 HE ARG A 26 -17.472 -4.794 5.866 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.235 -4.659 7.269 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -14.736 -5.407 8.789 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -18.109 -5.755 7.821 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -16.921 -6.026 9.101 1.00 0.00 H new ATOM 364 N GLN A 27 -13.995 -1.087 3.826 1.00 0.00 N ATOM 365 CA GLN A 27 -12.668 -0.996 4.423 1.00 0.00 C ATOM 366 C GLN A 27 -11.855 0.119 3.775 1.00 0.00 C ATOM 367 O GLN A 27 -11.565 0.077 2.579 1.00 0.00 O ATOM 368 CB GLN A 27 -11.930 -2.328 4.284 1.00 0.00 C ATOM 369 CG GLN A 27 -12.059 -3.226 5.504 1.00 0.00 C ATOM 370 CD GLN A 27 -10.886 -4.174 5.657 1.00 0.00 C ATOM 371 OE1 GLN A 27 -9.858 -3.820 6.235 1.00 0.00 O ATOM 372 NE2 GLN A 27 -11.034 -5.388 5.139 1.00 0.00 N ATOM 0 H GLN A 27 -13.996 -1.164 2.809 1.00 0.00 H new ATOM 0 HA GLN A 27 -12.789 -0.765 5.481 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -12.314 -2.857 3.412 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.874 -2.131 4.098 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.141 -2.608 6.398 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -12.981 -3.803 5.430 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.903 -5.639 4.668 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.278 -6.069 5.212 1.00 0.00 H new ATOM 381 N LYS A 28 -11.489 1.118 4.571 1.00 0.00 N ATOM 382 CA LYS A 28 -10.708 2.246 4.076 1.00 0.00 C ATOM 383 C LYS A 28 -9.581 1.769 3.165 1.00 0.00 C ATOM 384 O LYS A 28 -9.342 2.347 2.106 1.00 0.00 O ATOM 385 CB LYS A 28 -10.129 3.044 5.246 1.00 0.00 C ATOM 386 CG LYS A 28 -9.117 2.268 6.071 1.00 0.00 C ATOM 387 CD LYS A 28 -8.850 2.944 7.406 1.00 0.00 C ATOM 388 CE LYS A 28 -7.851 2.155 8.239 1.00 0.00 C ATOM 389 NZ LYS A 28 -8.024 2.408 9.697 1.00 0.00 N ATOM 0 H LYS A 28 -11.721 1.170 5.563 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.371 2.890 3.498 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.655 3.946 4.860 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.944 3.365 5.895 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.485 1.256 6.242 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.184 2.179 5.514 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.469 3.951 7.236 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.785 3.046 7.957 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.971 1.090 8.038 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.837 2.423 7.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.325 1.853 10.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.885 3.420 9.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.983 2.128 9.987 1.00 0.00 H new ATOM 403 N GLN A 29 -8.894 0.712 3.586 1.00 0.00 N ATOM 404 CA GLN A 29 -7.793 0.158 2.806 1.00 0.00 C ATOM 405 C GLN A 29 -8.208 -0.057 1.354 1.00 0.00 C ATOM 406 O GLN A 29 -7.485 0.315 0.429 1.00 0.00 O ATOM 407 CB GLN A 29 -7.323 -1.164 3.415 1.00 0.00 C ATOM 408 CG GLN A 29 -6.375 -1.944 2.519 1.00 0.00 C ATOM 409 CD GLN A 29 -5.892 -3.230 3.160 1.00 0.00 C ATOM 410 OE1 GLN A 29 -6.571 -4.256 3.108 1.00 0.00 O ATOM 411 NE2 GLN A 29 -4.713 -3.183 3.768 1.00 0.00 N ATOM 0 H GLN A 29 -9.080 0.223 4.461 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.970 0.873 2.828 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.828 -0.961 4.365 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.193 -1.783 3.635 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.877 -2.177 1.580 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.516 -1.319 2.274 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.183 -2.311 3.787 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.337 -4.018 4.216 1.00 0.00 H new ATOM 420 N LEU A 30 -9.376 -0.659 1.161 1.00 0.00 N ATOM 421 CA LEU A 30 -9.888 -0.923 -0.179 1.00 0.00 C ATOM 422 C LEU A 30 -10.002 0.368 -0.984 1.00 0.00 C ATOM 423 O LEU A 30 -9.450 0.480 -2.079 1.00 0.00 O ATOM 424 CB LEU A 30 -11.253 -1.610 -0.099 1.00 0.00 C ATOM 425 CG LEU A 30 -11.233 -3.136 -0.016 1.00 0.00 C ATOM 426 CD1 LEU A 30 -10.342 -3.597 1.128 1.00 0.00 C ATOM 427 CD2 LEU A 30 -12.644 -3.680 0.152 1.00 0.00 C ATOM 0 H LEU A 30 -9.986 -0.974 1.915 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.184 -1.584 -0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.780 -1.226 0.774 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.834 -1.321 -0.975 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.824 -3.526 -0.948 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.340 -4.686 1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.326 -3.239 0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.721 -3.197 2.068 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.610 -4.768 0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.081 -3.282 1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.253 -3.380 -0.701 1.00 0.00 H new ATOM 439 N LEU A 31 -10.719 1.341 -0.433 1.00 0.00 N ATOM 440 CA LEU A 31 -10.903 2.626 -1.097 1.00 0.00 C ATOM 441 C LEU A 31 -9.562 3.309 -1.344 1.00 0.00 C ATOM 442 O LEU A 31 -9.437 4.150 -2.234 1.00 0.00 O ATOM 443 CB LEU A 31 -11.804 3.533 -0.257 1.00 0.00 C ATOM 444 CG LEU A 31 -11.810 5.013 -0.639 1.00 0.00 C ATOM 445 CD1 LEU A 31 -12.269 5.191 -2.078 1.00 0.00 C ATOM 446 CD2 LEU A 31 -12.700 5.805 0.308 1.00 0.00 C ATOM 0 H LEU A 31 -11.183 1.264 0.472 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.379 2.444 -2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -12.825 3.158 -0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.499 3.449 0.786 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.792 5.394 -0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.267 6.251 -2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.592 4.657 -2.745 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -13.278 4.793 -2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.692 6.856 0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -13.719 5.422 0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.327 5.704 1.327 1.00 0.00 H new ATOM 458 N ASP A 32 -8.562 2.940 -0.551 1.00 0.00 N ATOM 459 CA ASP A 32 -7.228 3.515 -0.685 1.00 0.00 C ATOM 460 C ASP A 32 -6.487 2.899 -1.868 1.00 0.00 C ATOM 461 O ASP A 32 -5.953 3.611 -2.716 1.00 0.00 O ATOM 462 CB ASP A 32 -6.427 3.304 0.601 1.00 0.00 C ATOM 463 CG ASP A 32 -5.201 4.192 0.671 1.00 0.00 C ATOM 464 OD1 ASP A 32 -4.584 4.437 -0.387 1.00 0.00 O ATOM 465 OD2 ASP A 32 -4.858 4.642 1.784 1.00 0.00 O ATOM 0 H ASP A 32 -8.649 2.246 0.191 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.336 4.585 -0.865 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.066 3.504 1.461 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.120 2.260 0.668 1.00 0.00 H new ATOM 470 N MET A 33 -6.460 1.571 -1.916 1.00 0.00 N ATOM 471 CA MET A 33 -5.785 0.860 -2.995 1.00 0.00 C ATOM 472 C MET A 33 -6.567 0.981 -4.299 1.00 0.00 C ATOM 473 O MET A 33 -5.990 0.935 -5.386 1.00 0.00 O ATOM 474 CB MET A 33 -5.606 -0.615 -2.628 1.00 0.00 C ATOM 475 CG MET A 33 -6.917 -1.374 -2.505 1.00 0.00 C ATOM 476 SD MET A 33 -6.720 -3.148 -2.759 1.00 0.00 S ATOM 477 CE MET A 33 -8.289 -3.754 -2.143 1.00 0.00 C ATOM 0 H MET A 33 -6.897 0.966 -1.221 1.00 0.00 H new ATOM 0 HA MET A 33 -4.804 1.313 -3.138 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.986 -1.097 -3.385 1.00 0.00 H new ATOM 0 HB3 MET A 33 -5.066 -0.683 -1.683 1.00 0.00 H new ATOM 0 HG2 MET A 33 -7.343 -1.198 -1.517 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.628 -0.984 -3.233 1.00 0.00 H new ATOM 0 HE1 MET A 33 -8.451 -4.771 -2.499 1.00 0.00 H new ATOM 0 HE2 MET A 33 -8.279 -3.748 -1.053 1.00 0.00 H new ATOM 0 HE3 MET A 33 -9.093 -3.112 -2.502 1.00 0.00 H new ATOM 487 N HIS A 34 -7.882 1.135 -4.183 1.00 0.00 N ATOM 488 CA HIS A 34 -8.743 1.263 -5.354 1.00 0.00 C ATOM 489 C HIS A 34 -8.366 2.494 -6.173 1.00 0.00 C ATOM 490 O HIS A 34 -8.229 2.421 -7.394 1.00 0.00 O ATOM 491 CB HIS A 34 -10.209 1.347 -4.928 1.00 0.00 C ATOM 492 CG HIS A 34 -11.065 2.121 -5.882 1.00 0.00 C ATOM 493 ND1 HIS A 34 -11.722 1.539 -6.946 1.00 0.00 N ATOM 494 CD2 HIS A 34 -11.373 3.439 -5.927 1.00 0.00 C ATOM 495 CE1 HIS A 34 -12.395 2.466 -7.605 1.00 0.00 C ATOM 496 NE2 HIS A 34 -12.200 3.627 -7.007 1.00 0.00 N ATOM 0 H HIS A 34 -8.375 1.174 -3.291 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.604 0.379 -5.976 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -10.609 0.338 -4.830 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -10.267 1.810 -3.943 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -11.032 4.200 -5.241 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -13.001 2.302 -8.483 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -12.599 4.519 -7.300 1.00 0.00 H new ATOM 504 N PHE A 35 -8.202 3.623 -5.492 1.00 0.00 N ATOM 505 CA PHE A 35 -7.843 4.871 -6.157 1.00 0.00 C ATOM 506 C PHE A 35 -6.460 4.770 -6.793 1.00 0.00 C ATOM 507 O PHE A 35 -6.300 4.977 -7.996 1.00 0.00 O ATOM 508 CB PHE A 35 -7.876 6.032 -5.161 1.00 0.00 C ATOM 509 CG PHE A 35 -7.724 7.379 -5.806 1.00 0.00 C ATOM 510 CD1 PHE A 35 -6.517 7.760 -6.370 1.00 0.00 C ATOM 511 CD2 PHE A 35 -8.788 8.265 -5.850 1.00 0.00 C ATOM 512 CE1 PHE A 35 -6.374 9.000 -6.964 1.00 0.00 C ATOM 513 CE2 PHE A 35 -8.652 9.506 -6.443 1.00 0.00 C ATOM 514 CZ PHE A 35 -7.443 9.874 -7.001 1.00 0.00 C ATOM 0 H PHE A 35 -8.312 3.700 -4.481 1.00 0.00 H new ATOM 0 HA PHE A 35 -8.573 5.057 -6.945 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -8.818 6.004 -4.614 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -7.079 5.896 -4.430 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -5.678 7.080 -6.345 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -9.736 7.983 -5.416 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -5.427 9.285 -7.399 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -9.490 10.187 -6.470 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.334 10.843 -7.465 1.00 0.00 H new ATOM 524 N LYS A 36 -5.462 4.451 -5.976 1.00 0.00 N ATOM 525 CA LYS A 36 -4.091 4.321 -6.457 1.00 0.00 C ATOM 526 C LYS A 36 -3.978 3.200 -7.484 1.00 0.00 C ATOM 527 O LYS A 36 -2.936 3.027 -8.116 1.00 0.00 O ATOM 528 CB LYS A 36 -3.142 4.053 -5.287 1.00 0.00 C ATOM 529 CG LYS A 36 -2.754 5.304 -4.519 1.00 0.00 C ATOM 530 CD LYS A 36 -1.632 6.059 -5.212 1.00 0.00 C ATOM 531 CE LYS A 36 -0.329 5.277 -5.176 1.00 0.00 C ATOM 532 NZ LYS A 36 0.858 6.170 -5.289 1.00 0.00 N ATOM 0 H LYS A 36 -5.577 4.278 -4.977 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.811 5.259 -6.937 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.613 3.348 -4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.239 3.574 -5.665 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.623 5.954 -4.418 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.442 5.031 -3.511 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.910 6.257 -6.247 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.491 7.026 -4.730 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.271 4.711 -4.246 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.317 4.553 -5.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.726 5.598 -5.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.816 6.691 -6.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.861 6.845 -4.498 1.00 0.00 H new ATOM 546 N ARG A 37 -5.058 2.441 -7.647 1.00 0.00 N ATOM 547 CA ARG A 37 -5.079 1.337 -8.598 1.00 0.00 C ATOM 548 C ARG A 37 -5.716 1.767 -9.916 1.00 0.00 C ATOM 549 O ARG A 37 -5.074 1.739 -10.966 1.00 0.00 O ATOM 550 CB ARG A 37 -5.844 0.147 -8.014 1.00 0.00 C ATOM 551 CG ARG A 37 -6.068 -0.980 -9.008 1.00 0.00 C ATOM 552 CD ARG A 37 -6.664 -2.206 -8.334 1.00 0.00 C ATOM 553 NE ARG A 37 -7.355 -3.072 -9.286 1.00 0.00 N ATOM 554 CZ ARG A 37 -8.197 -4.034 -8.927 1.00 0.00 C ATOM 555 NH1 ARG A 37 -8.453 -4.252 -7.645 1.00 0.00 N ATOM 556 NH2 ARG A 37 -8.787 -4.781 -9.853 1.00 0.00 N ATOM 0 H ARG A 37 -5.929 2.571 -7.132 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.049 1.038 -8.792 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.295 -0.241 -7.156 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.810 0.492 -7.645 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -6.733 -0.640 -9.802 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.121 -1.246 -9.478 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.872 -2.769 -7.840 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.362 -1.890 -7.558 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.181 -2.930 -10.281 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.003 -3.680 -6.931 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.100 -4.992 -7.373 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.593 -4.616 -10.841 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.434 -5.520 -9.576 1.00 0.00 H new ATOM 570 N TYR A 38 -6.983 2.163 -9.854 1.00 0.00 N ATOM 571 CA TYR A 38 -7.707 2.596 -11.042 1.00 0.00 C ATOM 572 C TYR A 38 -7.282 4.001 -11.459 1.00 0.00 C ATOM 573 O TYR A 38 -6.669 4.190 -12.510 1.00 0.00 O ATOM 574 CB TYR A 38 -9.215 2.563 -10.786 1.00 0.00 C ATOM 575 CG TYR A 38 -9.809 1.174 -10.846 1.00 0.00 C ATOM 576 CD1 TYR A 38 -9.464 0.208 -9.909 1.00 0.00 C ATOM 577 CD2 TYR A 38 -10.715 0.826 -11.841 1.00 0.00 C ATOM 578 CE1 TYR A 38 -10.003 -1.063 -9.960 1.00 0.00 C ATOM 579 CE2 TYR A 38 -11.260 -0.442 -11.899 1.00 0.00 C ATOM 580 CZ TYR A 38 -10.901 -1.382 -10.956 1.00 0.00 C ATOM 581 OH TYR A 38 -11.442 -2.647 -11.012 1.00 0.00 O ATOM 0 H TYR A 38 -7.529 2.193 -8.993 1.00 0.00 H new ATOM 0 HA TYR A 38 -7.467 1.908 -11.853 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.418 2.994 -9.806 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -9.714 3.194 -11.521 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -8.762 0.455 -9.127 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -10.998 1.560 -12.582 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.723 -1.802 -9.224 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -11.963 -0.696 -12.678 1.00 0.00 H new ATOM 0 HH TYR A 38 -12.057 -2.706 -11.773 1.00 0.00 H new ATOM 591 N HIS A 39 -7.611 4.983 -10.626 1.00 0.00 N ATOM 592 CA HIS A 39 -7.262 6.371 -10.905 1.00 0.00 C ATOM 593 C HIS A 39 -5.756 6.526 -11.094 1.00 0.00 C ATOM 594 O HIS A 39 -5.292 7.500 -11.687 1.00 0.00 O ATOM 595 CB HIS A 39 -7.741 7.278 -9.771 1.00 0.00 C ATOM 596 CG HIS A 39 -9.223 7.238 -9.557 1.00 0.00 C ATOM 597 ND1 HIS A 39 -10.135 7.507 -10.556 1.00 0.00 N ATOM 598 CD2 HIS A 39 -9.951 6.956 -8.451 1.00 0.00 C ATOM 599 CE1 HIS A 39 -11.360 7.394 -10.073 1.00 0.00 C ATOM 600 NE2 HIS A 39 -11.276 7.060 -8.798 1.00 0.00 N ATOM 0 H HIS A 39 -8.119 4.843 -9.752 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.759 6.665 -11.830 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.241 6.986 -8.848 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.441 8.304 -9.986 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.562 6.697 -7.477 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -12.274 7.549 -10.627 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.067 6.905 -8.173 1.00 0.00 H new ATOM 608 N ASP A 40 -4.999 5.560 -10.586 1.00 0.00 N ATOM 609 CA ASP A 40 -3.546 5.588 -10.699 1.00 0.00 C ATOM 610 C ASP A 40 -3.009 4.233 -11.148 1.00 0.00 C ATOM 611 O ASP A 40 -3.198 3.212 -10.486 1.00 0.00 O ATOM 612 CB ASP A 40 -2.916 5.983 -9.362 1.00 0.00 C ATOM 613 CG ASP A 40 -1.653 6.802 -9.536 1.00 0.00 C ATOM 614 OD1 ASP A 40 -1.402 7.274 -10.665 1.00 0.00 O ATOM 615 OD2 ASP A 40 -0.916 6.974 -8.543 1.00 0.00 O ATOM 0 H ASP A 40 -5.368 4.748 -10.092 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.280 6.331 -11.451 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.638 6.554 -8.778 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.686 5.083 -8.792 1.00 0.00 H new ATOM 620 N PRO A 41 -2.324 4.220 -12.302 1.00 0.00 N ATOM 621 CA PRO A 41 -1.746 2.996 -12.865 1.00 0.00 C ATOM 622 C PRO A 41 -0.568 2.480 -12.046 1.00 0.00 C ATOM 623 O PRO A 41 -0.030 1.409 -12.323 1.00 0.00 O ATOM 624 CB PRO A 41 -1.280 3.432 -14.257 1.00 0.00 C ATOM 625 CG PRO A 41 -1.047 4.899 -14.136 1.00 0.00 C ATOM 626 CD PRO A 41 -2.060 5.399 -13.144 1.00 0.00 C ATOM 0 HA PRO A 41 -2.463 2.175 -12.878 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.370 2.910 -14.552 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.033 3.212 -15.014 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.032 5.106 -13.796 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.167 5.394 -15.100 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.672 6.232 -12.558 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.966 5.751 -13.638 1.00 0.00 H new ATOM 634 N ASN A 42 -0.173 3.250 -11.037 1.00 0.00 N ATOM 635 CA ASN A 42 0.942 2.870 -10.178 1.00 0.00 C ATOM 636 C ASN A 42 0.643 1.567 -9.443 1.00 0.00 C ATOM 637 O ASN A 42 1.284 0.544 -9.685 1.00 0.00 O ATOM 638 CB ASN A 42 1.237 3.982 -9.168 1.00 0.00 C ATOM 639 CG ASN A 42 1.913 5.179 -9.808 1.00 0.00 C ATOM 640 OD1 ASN A 42 2.806 5.029 -10.643 1.00 0.00 O ATOM 641 ND2 ASN A 42 1.490 6.376 -9.418 1.00 0.00 N ATOM 0 H ASN A 42 -0.608 4.140 -10.795 1.00 0.00 H new ATOM 0 HA ASN A 42 1.818 2.718 -10.808 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.305 4.301 -8.700 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.874 3.590 -8.375 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.908 7.218 -9.813 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.747 6.453 -8.723 1.00 0.00 H new ATOM 708 N ALA A 47 -1.771 -10.755 -9.028 1.00 0.00 N ATOM 709 CA ALA A 47 -2.634 -11.927 -9.103 1.00 0.00 C ATOM 710 C ALA A 47 -1.832 -13.177 -9.447 1.00 0.00 C ATOM 711 O ALA A 47 -1.420 -13.367 -10.592 1.00 0.00 O ATOM 712 CB ALA A 47 -3.737 -11.706 -10.128 1.00 0.00 C ATOM 0 HA ALA A 47 -3.089 -12.077 -8.124 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.374 -12.589 -10.173 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.335 -10.842 -9.838 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.293 -11.528 -11.107 1.00 0.00 H new ATOM 718 N PHE A 48 -1.614 -14.028 -8.450 1.00 0.00 N ATOM 719 CA PHE A 48 -0.860 -15.260 -8.648 1.00 0.00 C ATOM 720 C PHE A 48 -1.594 -16.451 -8.038 1.00 0.00 C ATOM 721 O PHE A 48 -1.535 -16.680 -6.830 1.00 0.00 O ATOM 722 CB PHE A 48 0.534 -15.135 -8.028 1.00 0.00 C ATOM 723 CG PHE A 48 1.381 -14.073 -8.669 1.00 0.00 C ATOM 724 CD1 PHE A 48 1.339 -12.766 -8.212 1.00 0.00 C ATOM 725 CD2 PHE A 48 2.219 -14.382 -9.728 1.00 0.00 C ATOM 726 CE1 PHE A 48 2.117 -11.787 -8.800 1.00 0.00 C ATOM 727 CE2 PHE A 48 3.000 -13.407 -10.320 1.00 0.00 C ATOM 728 CZ PHE A 48 2.949 -12.108 -9.855 1.00 0.00 C ATOM 0 H PHE A 48 -1.949 -13.887 -7.497 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.760 -15.427 -9.721 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.432 -14.915 -6.965 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.046 -16.094 -8.107 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.691 -12.509 -7.387 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.263 -15.397 -10.095 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.075 -10.771 -8.435 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.649 -13.661 -11.145 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.558 -11.344 -10.315 1.00 0.00 H new ATOM 738 N VAL A 49 -2.287 -17.207 -8.884 1.00 0.00 N ATOM 739 CA VAL A 49 -3.033 -18.375 -8.430 1.00 0.00 C ATOM 740 C VAL A 49 -2.295 -19.665 -8.769 1.00 0.00 C ATOM 741 O VAL A 49 -1.811 -19.840 -9.888 1.00 0.00 O ATOM 742 CB VAL A 49 -4.439 -18.421 -9.057 1.00 0.00 C ATOM 743 CG1 VAL A 49 -4.346 -18.505 -10.573 1.00 0.00 C ATOM 744 CG2 VAL A 49 -5.233 -19.592 -8.498 1.00 0.00 C ATOM 0 H VAL A 49 -2.347 -17.032 -9.887 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.128 -18.288 -7.348 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.963 -17.500 -8.800 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.349 -18.537 -10.998 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.818 -17.631 -10.954 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.804 -19.408 -10.855 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.224 -19.609 -8.952 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.714 -20.524 -8.723 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.331 -19.483 -7.418 1.00 0.00 H new ATOM 754 N CYS A 50 -2.212 -20.566 -7.797 1.00 0.00 N ATOM 755 CA CYS A 50 -1.533 -21.842 -7.991 1.00 0.00 C ATOM 756 C CYS A 50 -1.944 -22.480 -9.315 1.00 0.00 C ATOM 757 O CYS A 50 -2.898 -22.043 -9.958 1.00 0.00 O ATOM 758 CB CYS A 50 -1.848 -22.792 -6.834 1.00 0.00 C ATOM 759 SG CYS A 50 -0.686 -24.187 -6.681 1.00 0.00 S ATOM 0 H CYS A 50 -2.607 -20.436 -6.866 1.00 0.00 H new ATOM 0 HA CYS A 50 -0.459 -21.655 -8.016 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -1.845 -22.226 -5.902 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.856 -23.185 -6.965 1.00 0.00 H new ATOM 0 HG CYS A 50 0.470 -23.747 -6.280 1.00 0.00 H new ATOM 764 N SER A 51 -1.216 -23.518 -9.715 1.00 0.00 N ATOM 765 CA SER A 51 -1.501 -24.216 -10.964 1.00 0.00 C ATOM 766 C SER A 51 -1.882 -25.669 -10.699 1.00 0.00 C ATOM 767 O SER A 51 -2.497 -26.325 -11.539 1.00 0.00 O ATOM 768 CB SER A 51 -0.289 -24.155 -11.895 1.00 0.00 C ATOM 769 OG SER A 51 0.840 -24.772 -11.303 1.00 0.00 O ATOM 0 H SER A 51 -0.425 -23.894 -9.193 1.00 0.00 H new ATOM 0 HA SER A 51 -2.344 -23.720 -11.445 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.525 -24.649 -12.837 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.058 -23.116 -12.129 1.00 0.00 H new ATOM 0 HG SER A 51 1.601 -24.721 -11.919 1.00 0.00 H new ATOM 775 N LYS A 52 -1.510 -26.167 -9.525 1.00 0.00 N ATOM 776 CA LYS A 52 -1.811 -27.542 -9.146 1.00 0.00 C ATOM 777 C LYS A 52 -3.244 -27.665 -8.638 1.00 0.00 C ATOM 778 O LYS A 52 -3.996 -28.537 -9.074 1.00 0.00 O ATOM 779 CB LYS A 52 -0.834 -28.023 -8.070 1.00 0.00 C ATOM 780 CG LYS A 52 0.530 -28.409 -8.616 1.00 0.00 C ATOM 781 CD LYS A 52 1.571 -28.485 -7.511 1.00 0.00 C ATOM 782 CE LYS A 52 2.858 -29.128 -8.003 1.00 0.00 C ATOM 783 NZ LYS A 52 2.765 -30.615 -8.018 1.00 0.00 N ATOM 0 H LYS A 52 -0.999 -25.638 -8.819 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.703 -28.168 -10.032 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.709 -27.236 -7.326 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.266 -28.881 -7.556 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.462 -29.373 -9.120 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.844 -27.680 -9.363 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.783 -27.482 -7.139 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.173 -29.058 -6.674 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.083 -28.768 -9.007 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.685 -28.822 -7.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.396 -30.995 -8.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.048 -30.990 -7.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.786 -30.900 -8.223 1.00 0.00 H new ATOM 797 N CYS A 53 -3.617 -26.786 -7.714 1.00 0.00 N ATOM 798 CA CYS A 53 -4.960 -26.794 -7.147 1.00 0.00 C ATOM 799 C CYS A 53 -5.789 -25.636 -7.694 1.00 0.00 C ATOM 800 O CYS A 53 -6.928 -25.821 -8.121 1.00 0.00 O ATOM 801 CB CYS A 53 -4.892 -26.711 -5.621 1.00 0.00 C ATOM 802 SG CYS A 53 -4.080 -25.206 -4.993 1.00 0.00 S ATOM 0 H CYS A 53 -3.007 -26.058 -7.342 1.00 0.00 H new ATOM 0 HA CYS A 53 -5.442 -27.729 -7.433 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.904 -26.759 -5.220 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.358 -27.583 -5.244 1.00 0.00 H new ATOM 0 HG CYS A 53 -2.975 -25.004 -5.647 1.00 0.00 H new ATOM 807 N GLY A 54 -5.208 -24.440 -7.679 1.00 0.00 N ATOM 808 CA GLY A 54 -5.906 -23.269 -8.176 1.00 0.00 C ATOM 809 C GLY A 54 -6.208 -22.266 -7.080 1.00 0.00 C ATOM 810 O GLY A 54 -7.195 -21.533 -7.153 1.00 0.00 O ATOM 0 H GLY A 54 -4.266 -24.261 -7.331 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.302 -22.790 -8.947 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.838 -23.579 -8.648 1.00 0.00 H new ATOM 814 N LYS A 55 -5.357 -22.231 -6.061 1.00 0.00 N ATOM 815 CA LYS A 55 -5.536 -21.311 -4.944 1.00 0.00 C ATOM 816 C LYS A 55 -5.022 -19.919 -5.299 1.00 0.00 C ATOM 817 O LYS A 55 -3.945 -19.772 -5.878 1.00 0.00 O ATOM 818 CB LYS A 55 -4.808 -21.834 -3.704 1.00 0.00 C ATOM 819 CG LYS A 55 -5.669 -22.724 -2.824 1.00 0.00 C ATOM 820 CD LYS A 55 -4.834 -23.460 -1.789 1.00 0.00 C ATOM 821 CE LYS A 55 -5.658 -24.499 -1.045 1.00 0.00 C ATOM 822 NZ LYS A 55 -4.803 -25.409 -0.234 1.00 0.00 N ATOM 0 H LYS A 55 -4.535 -22.830 -5.985 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.602 -21.242 -4.729 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.926 -22.392 -4.019 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.456 -20.987 -3.115 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.424 -22.119 -2.321 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.200 -23.446 -3.444 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.990 -23.946 -2.279 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.421 -22.745 -1.078 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.373 -23.997 -0.394 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.235 -25.085 -1.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.403 -26.102 0.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.137 -25.908 -0.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.271 -24.853 0.466 1.00 0.00 H new ATOM 836 N THR A 56 -5.799 -18.899 -4.947 1.00 0.00 N ATOM 837 CA THR A 56 -5.422 -17.519 -5.228 1.00 0.00 C ATOM 838 C THR A 56 -4.507 -16.967 -4.141 1.00 0.00 C ATOM 839 O THR A 56 -4.781 -17.114 -2.950 1.00 0.00 O ATOM 840 CB THR A 56 -6.661 -16.612 -5.348 1.00 0.00 C ATOM 841 OG1 THR A 56 -7.592 -16.913 -4.303 1.00 0.00 O ATOM 842 CG2 THR A 56 -7.334 -16.793 -6.701 1.00 0.00 C ATOM 0 H THR A 56 -6.693 -19.003 -4.467 1.00 0.00 H new ATOM 0 HA THR A 56 -4.890 -17.524 -6.179 1.00 0.00 H new ATOM 0 HB THR A 56 -6.336 -15.576 -5.256 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.376 -16.331 -4.386 1.00 0.00 H new ATOM 0 HG21 THR A 56 -8.207 -16.143 -6.763 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.632 -16.535 -7.494 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.646 -17.831 -6.816 1.00 0.00 H new ATOM 850 N PHE A 57 -3.417 -16.331 -4.559 1.00 0.00 N ATOM 851 CA PHE A 57 -2.460 -15.757 -3.620 1.00 0.00 C ATOM 852 C PHE A 57 -2.282 -14.262 -3.871 1.00 0.00 C ATOM 853 O PHE A 57 -2.710 -13.738 -4.900 1.00 0.00 O ATOM 854 CB PHE A 57 -1.111 -16.469 -3.735 1.00 0.00 C ATOM 855 CG PHE A 57 -1.141 -17.892 -3.255 1.00 0.00 C ATOM 856 CD1 PHE A 57 -1.783 -18.873 -3.993 1.00 0.00 C ATOM 857 CD2 PHE A 57 -0.528 -18.248 -2.064 1.00 0.00 C ATOM 858 CE1 PHE A 57 -1.812 -20.183 -3.554 1.00 0.00 C ATOM 859 CE2 PHE A 57 -0.554 -19.556 -1.620 1.00 0.00 C ATOM 860 CZ PHE A 57 -1.198 -20.525 -2.366 1.00 0.00 C ATOM 0 H PHE A 57 -3.175 -16.200 -5.541 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.851 -15.894 -2.612 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.788 -16.452 -4.776 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.367 -15.916 -3.161 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.267 -18.611 -4.922 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.024 -17.495 -1.477 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.315 -20.938 -4.140 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.072 -19.821 -0.691 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.221 -21.548 -2.020 1.00 0.00 H new ATOM 870 N THR A 58 -1.648 -13.580 -2.922 1.00 0.00 N ATOM 871 CA THR A 58 -1.414 -12.146 -3.038 1.00 0.00 C ATOM 872 C THR A 58 -0.016 -11.858 -3.573 1.00 0.00 C ATOM 873 O THR A 58 0.171 -10.966 -4.400 1.00 0.00 O ATOM 874 CB THR A 58 -1.589 -11.437 -1.682 1.00 0.00 C ATOM 875 OG1 THR A 58 -2.895 -11.699 -1.157 1.00 0.00 O ATOM 876 CG2 THR A 58 -1.385 -9.937 -1.826 1.00 0.00 C ATOM 0 H THR A 58 -1.287 -13.998 -2.064 1.00 0.00 H new ATOM 0 HA THR A 58 -2.154 -11.761 -3.739 1.00 0.00 H new ATOM 0 HB THR A 58 -0.838 -11.825 -0.994 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.998 -11.246 -0.294 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.514 -9.458 -0.856 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.379 -9.741 -2.197 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.116 -9.536 -2.528 1.00 0.00 H new ATOM 884 N ARG A 59 0.963 -12.620 -3.097 1.00 0.00 N ATOM 885 CA ARG A 59 2.345 -12.446 -3.527 1.00 0.00 C ATOM 886 C ARG A 59 2.771 -13.577 -4.459 1.00 0.00 C ATOM 887 O ARG A 59 2.301 -14.708 -4.334 1.00 0.00 O ATOM 888 CB ARG A 59 3.276 -12.392 -2.315 1.00 0.00 C ATOM 889 CG ARG A 59 3.054 -11.177 -1.429 1.00 0.00 C ATOM 890 CD ARG A 59 3.876 -11.260 -0.153 1.00 0.00 C ATOM 891 NE ARG A 59 3.330 -10.413 0.905 1.00 0.00 N ATOM 892 CZ ARG A 59 4.051 -9.948 1.919 1.00 0.00 C ATOM 893 NH1 ARG A 59 5.340 -10.245 2.012 1.00 0.00 N ATOM 894 NH2 ARG A 59 3.483 -9.184 2.843 1.00 0.00 N ATOM 0 H ARG A 59 0.825 -13.364 -2.413 1.00 0.00 H new ATOM 0 HA ARG A 59 2.414 -11.504 -4.071 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.137 -13.295 -1.720 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.310 -12.394 -2.661 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.320 -10.273 -1.976 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.996 -11.097 -1.177 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.909 -12.294 0.191 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.903 -10.961 -0.363 1.00 0.00 H new ATOM 0 HE ARG A 59 2.341 -10.165 0.863 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.780 -10.832 1.304 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.891 -9.886 2.792 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.492 -8.953 2.775 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.038 -8.827 3.621 1.00 0.00 H new ATOM 908 N ARG A 60 3.662 -13.263 -5.393 1.00 0.00 N ATOM 909 CA ARG A 60 4.150 -14.252 -6.347 1.00 0.00 C ATOM 910 C ARG A 60 5.022 -15.293 -5.653 1.00 0.00 C ATOM 911 O ARG A 60 4.704 -16.482 -5.649 1.00 0.00 O ATOM 912 CB ARG A 60 4.943 -13.568 -7.462 1.00 0.00 C ATOM 913 CG ARG A 60 5.262 -14.484 -8.633 1.00 0.00 C ATOM 914 CD ARG A 60 6.596 -15.188 -8.443 1.00 0.00 C ATOM 915 NE ARG A 60 7.712 -14.389 -8.943 1.00 0.00 N ATOM 916 CZ ARG A 60 7.951 -14.186 -10.234 1.00 0.00 C ATOM 917 NH1 ARG A 60 7.156 -14.721 -11.150 1.00 0.00 N ATOM 918 NH2 ARG A 60 8.986 -13.447 -10.610 1.00 0.00 N ATOM 0 H ARG A 60 4.061 -12.332 -5.510 1.00 0.00 H new ATOM 0 HA ARG A 60 3.287 -14.757 -6.781 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.376 -12.711 -7.826 1.00 0.00 H new ATOM 0 HB3 ARG A 60 5.875 -13.182 -7.049 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.471 -15.225 -8.742 1.00 0.00 H new ATOM 0 HG3 ARG A 60 5.284 -13.903 -9.555 1.00 0.00 H new ATOM 0 HD2 ARG A 60 6.747 -15.399 -7.384 1.00 0.00 H new ATOM 0 HD3 ARG A 60 6.577 -16.147 -8.960 1.00 0.00 H new ATOM 0 HE ARG A 60 8.343 -13.963 -8.263 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.359 -15.290 -10.864 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.341 -14.564 -12.141 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.600 -13.034 -9.908 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.169 -13.292 -11.601 1.00 0.00 H new ATOM 932 N ASN A 61 6.125 -14.838 -5.066 1.00 0.00 N ATOM 933 CA ASN A 61 7.044 -15.730 -4.369 1.00 0.00 C ATOM 934 C ASN A 61 6.283 -16.713 -3.485 1.00 0.00 C ATOM 935 O ASN A 61 6.373 -17.928 -3.666 1.00 0.00 O ATOM 936 CB ASN A 61 8.029 -14.922 -3.522 1.00 0.00 C ATOM 937 CG ASN A 61 8.802 -13.909 -4.344 1.00 0.00 C ATOM 938 OD1 ASN A 61 8.218 -13.105 -5.070 1.00 0.00 O ATOM 939 ND2 ASN A 61 10.125 -13.944 -4.233 1.00 0.00 N ATOM 0 H ASN A 61 6.404 -13.857 -5.059 1.00 0.00 H new ATOM 0 HA ASN A 61 7.598 -16.296 -5.117 1.00 0.00 H new ATOM 0 HB2 ASN A 61 7.485 -14.405 -2.731 1.00 0.00 H new ATOM 0 HB3 ASN A 61 8.729 -15.602 -3.036 1.00 0.00 H new ATOM 0 HD21 ASN A 61 10.699 -13.287 -4.762 1.00 0.00 H new ATOM 0 HD22 ASN A 61 10.567 -14.628 -3.619 1.00 0.00 H new ATOM 946 N THR A 62 5.531 -16.179 -2.527 1.00 0.00 N ATOM 947 CA THR A 62 4.754 -17.008 -1.614 1.00 0.00 C ATOM 948 C THR A 62 4.064 -18.146 -2.356 1.00 0.00 C ATOM 949 O THR A 62 4.103 -19.297 -1.921 1.00 0.00 O ATOM 950 CB THR A 62 3.692 -16.178 -0.868 1.00 0.00 C ATOM 951 OG1 THR A 62 4.320 -15.116 -0.142 1.00 0.00 O ATOM 952 CG2 THR A 62 2.896 -17.053 0.089 1.00 0.00 C ATOM 0 H THR A 62 5.444 -15.176 -2.364 1.00 0.00 H new ATOM 0 HA THR A 62 5.455 -17.423 -0.890 1.00 0.00 H new ATOM 0 HB THR A 62 3.008 -15.757 -1.605 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.638 -14.593 0.328 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.152 -16.445 0.604 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.395 -17.842 -0.471 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.570 -17.499 0.820 1.00 0.00 H new ATOM 960 N MET A 63 3.434 -17.818 -3.479 1.00 0.00 N ATOM 961 CA MET A 63 2.737 -18.815 -4.284 1.00 0.00 C ATOM 962 C MET A 63 3.725 -19.789 -4.918 1.00 0.00 C ATOM 963 O MET A 63 3.649 -20.997 -4.697 1.00 0.00 O ATOM 964 CB MET A 63 1.905 -18.133 -5.371 1.00 0.00 C ATOM 965 CG MET A 63 0.858 -19.042 -5.995 1.00 0.00 C ATOM 966 SD MET A 63 1.548 -20.138 -7.250 1.00 0.00 S ATOM 967 CE MET A 63 1.533 -19.064 -8.683 1.00 0.00 C ATOM 0 H MET A 63 3.392 -16.870 -3.852 1.00 0.00 H new ATOM 0 HA MET A 63 2.072 -19.376 -3.627 1.00 0.00 H new ATOM 0 HB2 MET A 63 1.409 -17.261 -4.944 1.00 0.00 H new ATOM 0 HB3 MET A 63 2.572 -17.770 -6.153 1.00 0.00 H new ATOM 0 HG2 MET A 63 0.390 -19.640 -5.213 1.00 0.00 H new ATOM 0 HG3 MET A 63 0.073 -18.432 -6.443 1.00 0.00 H new ATOM 0 HE1 MET A 63 1.932 -19.600 -9.544 1.00 0.00 H new ATOM 0 HE2 MET A 63 0.510 -18.751 -8.893 1.00 0.00 H new ATOM 0 HE3 MET A 63 2.148 -18.186 -8.486 1.00 0.00 H new ATOM 977 N ALA A 64 4.650 -19.255 -5.709 1.00 0.00 N ATOM 978 CA ALA A 64 5.653 -20.077 -6.374 1.00 0.00 C ATOM 979 C ALA A 64 6.104 -21.225 -5.477 1.00 0.00 C ATOM 980 O ALA A 64 6.113 -22.384 -5.893 1.00 0.00 O ATOM 981 CB ALA A 64 6.846 -19.226 -6.784 1.00 0.00 C ATOM 0 H ALA A 64 4.725 -18.257 -5.905 1.00 0.00 H new ATOM 0 HA ALA A 64 5.201 -20.505 -7.269 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.587 -19.853 -7.279 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.517 -18.444 -7.468 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.290 -18.771 -5.899 1.00 0.00 H new ATOM 987 N ARG A 65 6.479 -20.896 -4.245 1.00 0.00 N ATOM 988 CA ARG A 65 6.933 -21.900 -3.291 1.00 0.00 C ATOM 989 C ARG A 65 5.805 -22.866 -2.940 1.00 0.00 C ATOM 990 O ARG A 65 6.005 -24.080 -2.896 1.00 0.00 O ATOM 991 CB ARG A 65 7.457 -21.227 -2.021 1.00 0.00 C ATOM 992 CG ARG A 65 8.658 -20.327 -2.259 1.00 0.00 C ATOM 993 CD ARG A 65 9.140 -19.686 -0.967 1.00 0.00 C ATOM 994 NE ARG A 65 9.824 -18.419 -1.206 1.00 0.00 N ATOM 995 CZ ARG A 65 10.500 -17.761 -0.271 1.00 0.00 C ATOM 996 NH1 ARG A 65 10.582 -18.248 0.960 1.00 0.00 N ATOM 997 NH2 ARG A 65 11.097 -16.613 -0.565 1.00 0.00 N ATOM 0 H ARG A 65 6.477 -19.942 -3.884 1.00 0.00 H new ATOM 0 HA ARG A 65 7.741 -22.466 -3.754 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.655 -20.638 -1.575 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.728 -21.996 -1.298 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.467 -20.908 -2.702 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.395 -19.549 -2.976 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.290 -19.520 -0.306 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.814 -20.370 -0.453 1.00 0.00 H new ATOM 0 HE ARG A 65 9.780 -18.017 -2.142 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.125 -19.130 1.191 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.102 -17.740 1.676 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.037 -16.234 -1.510 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.616 -16.109 0.154 1.00 0.00 H new ATOM 1011 N HIS A 66 4.620 -22.318 -2.690 1.00 0.00 N ATOM 1012 CA HIS A 66 3.460 -23.131 -2.342 1.00 0.00 C ATOM 1013 C HIS A 66 3.276 -24.270 -3.341 1.00 0.00 C ATOM 1014 O HIS A 66 3.051 -25.416 -2.955 1.00 0.00 O ATOM 1015 CB HIS A 66 2.200 -22.267 -2.298 1.00 0.00 C ATOM 1016 CG HIS A 66 0.942 -23.026 -2.591 1.00 0.00 C ATOM 1017 ND1 HIS A 66 0.383 -23.924 -1.707 1.00 0.00 N ATOM 1018 CD2 HIS A 66 0.134 -23.015 -3.676 1.00 0.00 C ATOM 1019 CE1 HIS A 66 -0.714 -24.435 -2.237 1.00 0.00 C ATOM 1020 NE2 HIS A 66 -0.888 -23.899 -3.431 1.00 0.00 N ATOM 0 H HIS A 66 4.438 -21.315 -2.722 1.00 0.00 H new ATOM 0 HA HIS A 66 3.631 -23.561 -1.355 1.00 0.00 H new ATOM 0 HB2 HIS A 66 2.117 -21.810 -1.312 1.00 0.00 H new ATOM 0 HB3 HIS A 66 2.301 -21.455 -3.018 1.00 0.00 H new ATOM 0 HD2 HIS A 66 0.268 -22.422 -4.568 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -1.359 -25.167 -1.773 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -1.657 -24.108 -4.068 1.00 0.00 H new ATOM 1028 N ALA A 67 3.372 -23.945 -4.626 1.00 0.00 N ATOM 1029 CA ALA A 67 3.217 -24.940 -5.679 1.00 0.00 C ATOM 1030 C ALA A 67 4.062 -26.177 -5.394 1.00 0.00 C ATOM 1031 O ALA A 67 3.540 -27.288 -5.296 1.00 0.00 O ATOM 1032 CB ALA A 67 3.590 -24.343 -7.028 1.00 0.00 C ATOM 0 H ALA A 67 3.556 -23.000 -4.963 1.00 0.00 H new ATOM 0 HA ALA A 67 2.171 -25.245 -5.706 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.470 -25.097 -7.806 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.941 -23.494 -7.242 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.627 -24.009 -7.004 1.00 0.00 H new ATOM 1038 N ASP A 68 5.369 -25.977 -5.264 1.00 0.00 N ATOM 1039 CA ASP A 68 6.287 -27.077 -4.990 1.00 0.00 C ATOM 1040 C ASP A 68 5.705 -28.022 -3.943 1.00 0.00 C ATOM 1041 O ASP A 68 5.537 -29.215 -4.195 1.00 0.00 O ATOM 1042 CB ASP A 68 7.636 -26.537 -4.513 1.00 0.00 C ATOM 1043 CG ASP A 68 8.780 -27.483 -4.821 1.00 0.00 C ATOM 1044 OD1 ASP A 68 8.632 -28.313 -5.743 1.00 0.00 O ATOM 1045 OD2 ASP A 68 9.822 -27.394 -4.140 1.00 0.00 O ATOM 0 H ASP A 68 5.817 -25.064 -5.344 1.00 0.00 H new ATOM 0 HA ASP A 68 6.434 -27.634 -5.915 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.827 -25.574 -4.987 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.594 -26.360 -3.438 1.00 0.00 H new ATOM 1050 N ASN A 69 5.400 -27.481 -2.768 1.00 0.00 N ATOM 1051 CA ASN A 69 4.838 -28.277 -1.683 1.00 0.00 C ATOM 1052 C ASN A 69 3.434 -28.759 -2.032 1.00 0.00 C ATOM 1053 O ASN A 69 2.907 -29.678 -1.404 1.00 0.00 O ATOM 1054 CB ASN A 69 4.802 -27.459 -0.390 1.00 0.00 C ATOM 1055 CG ASN A 69 6.170 -27.330 0.251 1.00 0.00 C ATOM 1056 OD1 ASN A 69 6.432 -27.909 1.306 1.00 0.00 O ATOM 1057 ND2 ASN A 69 7.051 -26.566 -0.385 1.00 0.00 N ATOM 0 H ASN A 69 5.533 -26.495 -2.543 1.00 0.00 H new ATOM 0 HA ASN A 69 5.476 -29.149 -1.537 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.408 -26.465 -0.603 1.00 0.00 H new ATOM 0 HB3 ASN A 69 4.116 -27.929 0.315 1.00 0.00 H new ATOM 0 HD21 ASN A 69 7.988 -26.440 -0.002 1.00 0.00 H new ATOM 0 HD22 ASN A 69 6.791 -26.105 -1.257 1.00 0.00 H new ATOM 1064 N CYS A 70 2.833 -28.134 -3.039 1.00 0.00 N ATOM 1065 CA CYS A 70 1.490 -28.499 -3.474 1.00 0.00 C ATOM 1066 C CYS A 70 1.532 -29.687 -4.431 1.00 0.00 C ATOM 1067 O CYS A 70 2.574 -29.995 -5.008 1.00 0.00 O ATOM 1068 CB CYS A 70 0.810 -27.308 -4.151 1.00 0.00 C ATOM 1069 SG CYS A 70 -0.921 -27.614 -4.631 1.00 0.00 S ATOM 0 H CYS A 70 3.255 -27.372 -3.569 1.00 0.00 H new ATOM 0 HA CYS A 70 0.915 -28.785 -2.593 1.00 0.00 H new ATOM 0 HB2 CYS A 70 0.843 -26.453 -3.476 1.00 0.00 H new ATOM 0 HB3 CYS A 70 1.379 -27.035 -5.039 1.00 0.00 H new ATOM 0 HG CYS A 70 -1.410 -26.549 -5.193 1.00 0.00 H new ATOM 1074 N ALA A 71 0.391 -30.349 -4.593 1.00 0.00 N ATOM 1075 CA ALA A 71 0.296 -31.501 -5.481 1.00 0.00 C ATOM 1076 C ALA A 71 -0.947 -31.416 -6.360 1.00 0.00 C ATOM 1077 O ALA A 71 -0.928 -31.821 -7.521 1.00 0.00 O ATOM 1078 CB ALA A 71 0.287 -32.791 -4.674 1.00 0.00 C ATOM 0 H ALA A 71 -0.480 -30.107 -4.121 1.00 0.00 H new ATOM 0 HA ALA A 71 1.170 -31.499 -6.132 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.216 -33.643 -5.350 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.207 -32.864 -4.094 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.568 -32.792 -3.998 1.00 0.00 H new ATOM 1084 N GLY A 72 -2.029 -30.886 -5.797 1.00 0.00 N ATOM 1085 CA GLY A 72 -3.267 -30.759 -6.544 1.00 0.00 C ATOM 1086 C GLY A 72 -4.486 -30.719 -5.643 1.00 0.00 C ATOM 1087 O GLY A 72 -4.378 -30.703 -4.417 1.00 0.00 O ATOM 0 H GLY A 72 -2.070 -30.543 -4.837 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.233 -29.850 -7.145 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.358 -31.596 -7.236 1.00 0.00 H new ATOM 1091 N PRO A 73 -5.679 -30.701 -6.256 1.00 0.00 N ATOM 1092 CA PRO A 73 -6.946 -30.662 -5.521 1.00 0.00 C ATOM 1093 C PRO A 73 -7.232 -31.968 -4.789 1.00 0.00 C ATOM 1094 O PRO A 73 -6.929 -33.051 -5.290 1.00 0.00 O ATOM 1095 CB PRO A 73 -7.986 -30.425 -6.619 1.00 0.00 C ATOM 1096 CG PRO A 73 -7.359 -30.964 -7.858 1.00 0.00 C ATOM 1097 CD PRO A 73 -5.882 -30.718 -7.715 1.00 0.00 C ATOM 0 HA PRO A 73 -6.944 -29.897 -4.745 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -8.922 -30.936 -6.394 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.218 -29.365 -6.722 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.568 -32.028 -7.970 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.754 -30.466 -8.744 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.296 -31.503 -8.193 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.585 -29.774 -8.173 1.00 0.00 H new