USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 431 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 SER OG : rot 14:sc= 1.15 USER MOD Single : A 19 CYS SG : rot 180:sc= -0.528 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -2.63 X(o=-2.6,f=-2.9!) USER MOD Single : A 25 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.174) USER MOD Single : A 27 LYS NZ :NH3+ -138:sc= -0.0114 (180deg=-0.2) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -3.39! K(o=-3.4!,f=-2.5) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0293 USER MOD Single : A 38 THR OG1 : rot -170:sc= -2.08! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.319) USER MOD Single : A 45 MET CE :methyl -121:sc= 0 (180deg=-0.0849) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.39 K(o=-1.4,f=-4.4!) USER MOD Single : A 50 SER OG : rot 180:sc= -0.18 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.474 X(o=-0.47,f=-0.26) USER MOD Single : A 57 TYR OH : rot -153:sc= 1.24 USER MOD Single : A 59 GLN : amide:sc= -1.11 K(o=-1.1,f=-2.2!) USER MOD Single : A 60 LYS NZ :NH3+ -109:sc= 0 (180deg=-0.16) USER MOD Single : A 63 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.0128) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 188 N PRO A 12 0.387 5.755 1.336 1.00 0.00 N ATOM 189 CA PRO A 12 -0.046 4.434 0.815 1.00 0.00 C ATOM 190 C PRO A 12 -0.538 3.554 1.967 1.00 0.00 C ATOM 191 O PRO A 12 -0.805 4.039 3.051 1.00 0.00 O ATOM 192 CB PRO A 12 1.220 3.858 0.186 1.00 0.00 C ATOM 193 CG PRO A 12 2.346 4.540 0.893 1.00 0.00 C ATOM 194 CD PRO A 12 1.852 5.907 1.287 1.00 0.00 C ATOM 0 HA PRO A 12 -0.869 4.498 0.103 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.269 2.777 0.316 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.252 4.052 -0.886 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.651 3.972 1.772 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.219 4.617 0.245 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.254 6.214 2.252 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.151 6.664 0.562 1.00 0.00 H new ATOM 202 N SER A 13 -0.662 2.267 1.746 1.00 0.00 N ATOM 203 CA SER A 13 -1.142 1.365 2.837 1.00 0.00 C ATOM 204 C SER A 13 -0.931 -0.105 2.472 1.00 0.00 C ATOM 205 O SER A 13 -1.814 -0.921 2.652 1.00 0.00 O ATOM 206 CB SER A 13 -2.633 1.671 2.975 1.00 0.00 C ATOM 207 OG SER A 13 -2.806 2.784 3.843 1.00 0.00 O ATOM 0 H SER A 13 -0.452 1.805 0.861 1.00 0.00 H new ATOM 0 HA SER A 13 -0.596 1.532 3.766 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.064 1.887 1.997 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.159 0.802 3.370 1.00 0.00 H new ATOM 0 HG SER A 13 -1.946 3.237 3.969 1.00 0.00 H new ATOM 213 N ALA A 14 0.224 -0.452 1.934 1.00 0.00 N ATOM 214 CA ALA A 14 0.509 -1.872 1.523 1.00 0.00 C ATOM 215 C ALA A 14 -0.291 -2.215 0.270 1.00 0.00 C ATOM 216 O ALA A 14 0.267 -2.357 -0.803 1.00 0.00 O ATOM 217 CB ALA A 14 0.119 -2.792 2.694 1.00 0.00 C ATOM 0 H ALA A 14 0.990 0.199 1.761 1.00 0.00 H new ATOM 0 HA ALA A 14 1.566 -2.004 1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.316 -3.829 2.423 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.706 -2.530 3.574 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.941 -2.670 2.915 1.00 0.00 H new ATOM 223 N PHE A 15 -1.588 -2.351 0.387 1.00 0.00 N ATOM 224 CA PHE A 15 -2.413 -2.688 -0.816 1.00 0.00 C ATOM 225 C PHE A 15 -2.262 -1.604 -1.891 1.00 0.00 C ATOM 226 O PHE A 15 -2.474 -1.855 -3.062 1.00 0.00 O ATOM 227 CB PHE A 15 -3.862 -2.754 -0.316 1.00 0.00 C ATOM 228 CG PHE A 15 -4.780 -3.126 -1.461 1.00 0.00 C ATOM 229 CD1 PHE A 15 -4.509 -4.257 -2.241 1.00 0.00 C ATOM 230 CD2 PHE A 15 -5.898 -2.332 -1.746 1.00 0.00 C ATOM 231 CE1 PHE A 15 -5.355 -4.595 -3.303 1.00 0.00 C ATOM 232 CE2 PHE A 15 -6.746 -2.671 -2.809 1.00 0.00 C ATOM 233 CZ PHE A 15 -6.474 -3.802 -3.587 1.00 0.00 C ATOM 0 H PHE A 15 -2.110 -2.244 1.257 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.101 -3.629 -1.270 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.948 -3.488 0.485 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -4.157 -1.791 0.102 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.646 -4.869 -2.023 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.107 -1.458 -1.146 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.145 -5.468 -3.904 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.609 -2.060 -3.028 1.00 0.00 H new ATOM 0 HZ PHE A 15 -7.127 -4.063 -4.407 1.00 0.00 H new ATOM 243 N PHE A 16 -1.900 -0.406 -1.502 1.00 0.00 N ATOM 244 CA PHE A 16 -1.742 0.689 -2.507 1.00 0.00 C ATOM 245 C PHE A 16 -0.465 0.480 -3.317 1.00 0.00 C ATOM 246 O PHE A 16 -0.415 0.802 -4.488 1.00 0.00 O ATOM 247 CB PHE A 16 -1.669 1.983 -1.696 1.00 0.00 C ATOM 248 CG PHE A 16 -2.318 3.102 -2.476 1.00 0.00 C ATOM 249 CD1 PHE A 16 -1.777 3.503 -3.703 1.00 0.00 C ATOM 250 CD2 PHE A 16 -3.460 3.736 -1.974 1.00 0.00 C ATOM 251 CE1 PHE A 16 -2.377 4.541 -4.428 1.00 0.00 C ATOM 252 CE2 PHE A 16 -4.061 4.773 -2.698 1.00 0.00 C ATOM 253 CZ PHE A 16 -3.519 5.175 -3.925 1.00 0.00 C ATOM 0 H PHE A 16 -1.708 -0.140 -0.536 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.567 0.714 -3.219 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.172 1.853 -0.738 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.630 2.231 -1.479 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.897 3.012 -4.091 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.878 3.425 -1.028 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.959 4.852 -5.374 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.942 5.263 -2.310 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.982 5.975 -4.484 1.00 0.00 H new ATOM 263 N LEU A 17 0.555 -0.091 -2.721 1.00 0.00 N ATOM 264 CA LEU A 17 1.810 -0.354 -3.488 1.00 0.00 C ATOM 265 C LEU A 17 1.474 -1.376 -4.577 1.00 0.00 C ATOM 266 O LEU A 17 1.373 -1.038 -5.738 1.00 0.00 O ATOM 267 CB LEU A 17 2.805 -0.925 -2.467 1.00 0.00 C ATOM 268 CG LEU A 17 3.517 0.210 -1.713 1.00 0.00 C ATOM 269 CD1 LEU A 17 4.327 1.058 -2.695 1.00 0.00 C ATOM 270 CD2 LEU A 17 2.489 1.102 -1.007 1.00 0.00 C ATOM 0 H LEU A 17 0.572 -0.384 -1.744 1.00 0.00 H new ATOM 0 HA LEU A 17 2.231 0.530 -3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.280 -1.566 -1.759 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.540 -1.548 -2.977 1.00 0.00 H new ATOM 0 HG LEU A 17 4.184 -0.229 -0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.829 1.860 -2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.071 0.432 -3.189 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.659 1.486 -3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.005 1.902 -0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.813 1.533 -1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.917 0.506 -0.296 1.00 0.00 H new ATOM 282 N PHE A 18 1.300 -2.624 -4.184 1.00 0.00 N ATOM 283 CA PHE A 18 0.950 -3.730 -5.152 1.00 0.00 C ATOM 284 C PHE A 18 0.025 -3.210 -6.278 1.00 0.00 C ATOM 285 O PHE A 18 0.329 -3.352 -7.447 1.00 0.00 O ATOM 286 CB PHE A 18 0.241 -4.783 -4.284 1.00 0.00 C ATOM 287 CG PHE A 18 -0.309 -5.904 -5.140 1.00 0.00 C ATOM 288 CD1 PHE A 18 0.514 -6.973 -5.514 1.00 0.00 C ATOM 289 CD2 PHE A 18 -1.648 -5.875 -5.550 1.00 0.00 C ATOM 290 CE1 PHE A 18 -0.001 -8.013 -6.299 1.00 0.00 C ATOM 291 CE2 PHE A 18 -2.163 -6.913 -6.336 1.00 0.00 C ATOM 292 CZ PHE A 18 -1.340 -7.982 -6.710 1.00 0.00 C ATOM 0 H PHE A 18 1.387 -2.929 -3.215 1.00 0.00 H new ATOM 0 HA PHE A 18 1.826 -4.136 -5.658 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.940 -5.188 -3.552 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.570 -4.315 -3.726 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.546 -6.996 -5.197 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.284 -5.052 -5.260 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.634 -8.838 -6.587 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.195 -6.889 -6.654 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.737 -8.783 -7.316 1.00 0.00 H new ATOM 302 N CYS A 19 -1.096 -2.616 -5.936 1.00 0.00 N ATOM 303 CA CYS A 19 -2.015 -2.097 -6.996 1.00 0.00 C ATOM 304 C CYS A 19 -1.343 -0.963 -7.782 1.00 0.00 C ATOM 305 O CYS A 19 -1.455 -0.889 -8.992 1.00 0.00 O ATOM 306 CB CYS A 19 -3.247 -1.578 -6.247 1.00 0.00 C ATOM 307 SG CYS A 19 -4.487 -0.989 -7.430 1.00 0.00 S ATOM 0 H CYS A 19 -1.410 -2.470 -4.977 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.277 -2.869 -7.720 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -3.669 -2.371 -5.630 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -2.960 -0.769 -5.575 1.00 0.00 H new ATOM 0 HG CYS A 19 -5.529 -0.553 -6.786 1.00 0.00 H new ATOM 313 N SER A 20 -0.659 -0.076 -7.102 1.00 0.00 N ATOM 314 CA SER A 20 0.008 1.064 -7.809 1.00 0.00 C ATOM 315 C SER A 20 0.971 0.555 -8.887 1.00 0.00 C ATOM 316 O SER A 20 1.190 1.217 -9.886 1.00 0.00 O ATOM 317 CB SER A 20 0.775 1.828 -6.728 1.00 0.00 C ATOM 318 OG SER A 20 1.593 2.815 -7.344 1.00 0.00 O ATOM 0 H SER A 20 -0.533 -0.091 -6.090 1.00 0.00 H new ATOM 0 HA SER A 20 -0.721 1.697 -8.315 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.078 2.298 -6.034 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.389 1.141 -6.147 1.00 0.00 H new ATOM 0 HG SER A 20 2.085 3.308 -6.655 1.00 0.00 H new ATOM 324 N GLU A 21 1.556 -0.605 -8.698 1.00 0.00 N ATOM 325 CA GLU A 21 2.509 -1.130 -9.724 1.00 0.00 C ATOM 326 C GLU A 21 1.788 -2.024 -10.741 1.00 0.00 C ATOM 327 O GLU A 21 2.219 -2.139 -11.874 1.00 0.00 O ATOM 328 CB GLU A 21 3.573 -1.916 -8.947 1.00 0.00 C ATOM 329 CG GLU A 21 2.929 -3.074 -8.184 1.00 0.00 C ATOM 330 CD GLU A 21 4.005 -4.099 -7.815 1.00 0.00 C ATOM 331 OE1 GLU A 21 5.120 -3.686 -7.541 1.00 0.00 O ATOM 332 OE2 GLU A 21 3.695 -5.278 -7.811 1.00 0.00 O ATOM 0 H GLU A 21 1.416 -1.205 -7.885 1.00 0.00 H new ATOM 0 HA GLU A 21 2.959 -0.321 -10.300 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.326 -2.300 -9.636 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.087 -1.254 -8.250 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.440 -2.703 -7.283 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.158 -3.543 -8.795 1.00 0.00 H new ATOM 339 N HIS A 22 0.697 -2.653 -10.365 1.00 0.00 N ATOM 340 CA HIS A 22 -0.037 -3.527 -11.334 1.00 0.00 C ATOM 341 C HIS A 22 -1.239 -2.782 -11.931 1.00 0.00 C ATOM 342 O HIS A 22 -2.134 -3.390 -12.488 1.00 0.00 O ATOM 343 CB HIS A 22 -0.531 -4.713 -10.505 1.00 0.00 C ATOM 344 CG HIS A 22 0.612 -5.633 -10.188 1.00 0.00 C ATOM 345 ND1 HIS A 22 1.252 -6.384 -11.160 1.00 0.00 N ATOM 346 CD2 HIS A 22 1.230 -5.948 -9.004 1.00 0.00 C ATOM 347 CE1 HIS A 22 2.208 -7.108 -10.549 1.00 0.00 C ATOM 348 NE2 HIS A 22 2.237 -6.880 -9.234 1.00 0.00 N ATOM 0 H HIS A 22 0.286 -2.598 -9.433 1.00 0.00 H new ATOM 0 HA HIS A 22 0.601 -3.831 -12.164 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -0.988 -4.356 -9.582 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.302 -5.254 -11.054 1.00 0.00 H new ATOM 0 HD2 HIS A 22 0.974 -5.535 -8.040 1.00 0.00 H new ATOM 0 HE1 HIS A 22 2.871 -7.790 -11.060 1.00 0.00 H new ATOM 0 HE2 HIS A 22 2.863 -7.299 -8.546 1.00 0.00 H new ATOM 356 N ARG A 23 -1.271 -1.476 -11.815 1.00 0.00 N ATOM 357 CA ARG A 23 -2.419 -0.699 -12.371 1.00 0.00 C ATOM 358 C ARG A 23 -2.264 -0.465 -13.889 1.00 0.00 C ATOM 359 O ARG A 23 -3.221 -0.644 -14.617 1.00 0.00 O ATOM 360 CB ARG A 23 -2.424 0.622 -11.594 1.00 0.00 C ATOM 361 CG ARG A 23 -3.601 1.485 -12.058 1.00 0.00 C ATOM 362 CD ARG A 23 -4.015 2.432 -10.929 1.00 0.00 C ATOM 363 NE ARG A 23 -3.022 3.541 -10.976 1.00 0.00 N ATOM 364 CZ ARG A 23 -3.399 4.738 -11.334 1.00 0.00 C ATOM 365 NH1 ARG A 23 -3.778 4.963 -12.562 1.00 0.00 N ATOM 366 NH2 ARG A 23 -3.396 5.710 -10.463 1.00 0.00 N ATOM 0 H ARG A 23 -0.551 -0.916 -11.359 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.361 -1.236 -12.258 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.502 0.426 -10.525 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.485 1.153 -11.753 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.320 2.057 -12.942 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.441 0.851 -12.342 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.029 2.803 -11.077 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.998 1.927 -9.963 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.048 3.365 -10.729 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.780 4.203 -13.243 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.073 5.899 -12.841 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.099 5.534 -9.503 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.691 6.646 -10.742 1.00 0.00 H new ATOM 380 N PRO A 24 -1.083 -0.076 -14.340 1.00 0.00 N ATOM 381 CA PRO A 24 -0.894 0.159 -15.796 1.00 0.00 C ATOM 382 C PRO A 24 -0.804 -1.170 -16.564 1.00 0.00 C ATOM 383 O PRO A 24 -0.757 -1.180 -17.780 1.00 0.00 O ATOM 384 CB PRO A 24 0.426 0.918 -15.876 1.00 0.00 C ATOM 385 CG PRO A 24 1.175 0.536 -14.640 1.00 0.00 C ATOM 386 CD PRO A 24 0.159 0.181 -13.584 1.00 0.00 C ATOM 0 HA PRO A 24 -1.725 0.706 -16.241 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.982 0.646 -16.773 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.259 1.994 -15.918 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.834 -0.310 -14.837 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.805 1.359 -14.304 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.467 -0.697 -13.016 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.028 0.994 -12.869 1.00 0.00 H new ATOM 394 N LYS A 25 -0.781 -2.287 -15.873 1.00 0.00 N ATOM 395 CA LYS A 25 -0.694 -3.604 -16.573 1.00 0.00 C ATOM 396 C LYS A 25 -2.097 -4.135 -16.881 1.00 0.00 C ATOM 397 O LYS A 25 -2.337 -4.701 -17.931 1.00 0.00 O ATOM 398 CB LYS A 25 0.024 -4.529 -15.590 1.00 0.00 C ATOM 399 CG LYS A 25 0.509 -5.778 -16.327 1.00 0.00 C ATOM 400 CD LYS A 25 1.695 -6.386 -15.577 1.00 0.00 C ATOM 401 CE LYS A 25 1.982 -7.787 -16.123 1.00 0.00 C ATOM 402 NZ LYS A 25 2.605 -7.557 -17.456 1.00 0.00 N ATOM 0 H LYS A 25 -0.819 -2.340 -14.855 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.167 -3.531 -17.524 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.869 -4.010 -15.137 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.649 -4.810 -14.780 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.299 -6.506 -16.402 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.802 -5.521 -17.345 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.575 -5.752 -15.692 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.476 -6.438 -14.510 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.652 -8.339 -15.463 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.067 -8.373 -16.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.014 -7.989 -18.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.684 -6.535 -17.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.552 -7.986 -17.475 1.00 0.00 H new ATOM 416 N ILE A 26 -3.022 -3.953 -15.973 1.00 0.00 N ATOM 417 CA ILE A 26 -4.416 -4.444 -16.206 1.00 0.00 C ATOM 418 C ILE A 26 -5.123 -3.562 -17.244 1.00 0.00 C ATOM 419 O ILE A 26 -6.055 -3.991 -17.894 1.00 0.00 O ATOM 420 CB ILE A 26 -5.113 -4.350 -14.843 1.00 0.00 C ATOM 421 CG1 ILE A 26 -4.362 -5.211 -13.813 1.00 0.00 C ATOM 422 CG2 ILE A 26 -6.560 -4.841 -14.967 1.00 0.00 C ATOM 423 CD1 ILE A 26 -4.344 -6.681 -14.254 1.00 0.00 C ATOM 0 H ILE A 26 -2.873 -3.485 -15.079 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.433 -5.462 -16.595 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.112 -3.311 -14.512 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.341 -4.846 -13.700 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.841 -5.123 -12.838 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.052 -4.773 -13.997 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.094 -4.222 -15.689 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.565 -5.878 -15.304 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.809 -7.276 -13.514 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.367 -7.047 -14.343 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.843 -6.765 -15.219 1.00 0.00 H new ATOM 435 N LYS A 27 -4.673 -2.345 -17.416 1.00 0.00 N ATOM 436 CA LYS A 27 -5.305 -1.440 -18.427 1.00 0.00 C ATOM 437 C LYS A 27 -4.833 -1.804 -19.844 1.00 0.00 C ATOM 438 O LYS A 27 -5.471 -1.458 -20.821 1.00 0.00 O ATOM 439 CB LYS A 27 -4.836 -0.034 -18.050 1.00 0.00 C ATOM 440 CG LYS A 27 -5.542 0.414 -16.770 1.00 0.00 C ATOM 441 CD LYS A 27 -5.150 1.857 -16.448 1.00 0.00 C ATOM 442 CE LYS A 27 -6.000 2.817 -17.282 1.00 0.00 C ATOM 443 NZ LYS A 27 -7.297 2.911 -16.555 1.00 0.00 N ATOM 0 H LYS A 27 -3.894 -1.937 -16.899 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.392 -1.522 -18.427 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.756 -0.027 -17.904 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.053 0.662 -18.860 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.622 0.338 -16.893 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.269 -0.241 -15.943 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.295 2.056 -15.386 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.092 2.013 -16.660 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.524 3.794 -17.368 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.141 2.441 -18.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.081 2.887 -17.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.386 2.109 -15.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.331 3.802 -16.020 1.00 0.00 H new ATOM 457 N SER A 28 -3.726 -2.501 -19.964 1.00 0.00 N ATOM 458 CA SER A 28 -3.221 -2.889 -21.319 1.00 0.00 C ATOM 459 C SER A 28 -4.068 -4.033 -21.884 1.00 0.00 C ATOM 460 O SER A 28 -4.522 -3.984 -23.011 1.00 0.00 O ATOM 461 CB SER A 28 -1.779 -3.347 -21.095 1.00 0.00 C ATOM 462 OG SER A 28 -1.180 -3.641 -22.350 1.00 0.00 O ATOM 0 H SER A 28 -3.152 -2.817 -19.182 1.00 0.00 H new ATOM 0 HA SER A 28 -3.276 -2.066 -22.032 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.213 -2.569 -20.582 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.761 -4.229 -20.455 1.00 0.00 H new ATOM 0 HG SER A 28 -0.255 -3.933 -22.211 1.00 0.00 H new ATOM 468 N GLU A 29 -4.290 -5.056 -21.098 1.00 0.00 N ATOM 469 CA GLU A 29 -5.119 -6.208 -21.568 1.00 0.00 C ATOM 470 C GLU A 29 -6.618 -5.924 -21.355 1.00 0.00 C ATOM 471 O GLU A 29 -7.453 -6.776 -21.593 1.00 0.00 O ATOM 472 CB GLU A 29 -4.673 -7.392 -20.710 1.00 0.00 C ATOM 473 CG GLU A 29 -3.291 -7.863 -21.168 1.00 0.00 C ATOM 474 CD GLU A 29 -3.063 -9.303 -20.707 1.00 0.00 C ATOM 475 OE1 GLU A 29 -2.578 -9.479 -19.601 1.00 0.00 O ATOM 476 OE2 GLU A 29 -3.378 -10.204 -21.465 1.00 0.00 O ATOM 0 H GLU A 29 -3.931 -5.143 -20.147 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.986 -6.397 -22.633 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.640 -7.102 -19.660 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.393 -8.207 -20.793 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.216 -7.801 -22.254 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.519 -7.212 -20.758 1.00 0.00 H new ATOM 483 N HIS A 30 -6.964 -4.730 -20.930 1.00 0.00 N ATOM 484 CA HIS A 30 -8.401 -4.378 -20.723 1.00 0.00 C ATOM 485 C HIS A 30 -8.570 -2.862 -20.893 1.00 0.00 C ATOM 486 O HIS A 30 -8.542 -2.128 -19.928 1.00 0.00 O ATOM 487 CB HIS A 30 -8.756 -4.792 -19.290 1.00 0.00 C ATOM 488 CG HIS A 30 -8.546 -6.268 -19.099 1.00 0.00 C ATOM 489 ND1 HIS A 30 -9.569 -7.189 -19.257 1.00 0.00 N ATOM 490 CD2 HIS A 30 -7.441 -6.995 -18.743 1.00 0.00 C ATOM 491 CE1 HIS A 30 -9.061 -8.408 -18.996 1.00 0.00 C ATOM 492 NE2 HIS A 30 -7.766 -8.347 -18.676 1.00 0.00 N ATOM 0 H HIS A 30 -6.305 -3.981 -20.717 1.00 0.00 H new ATOM 0 HA HIS A 30 -9.050 -4.882 -21.440 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.140 -4.237 -18.582 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.794 -4.536 -19.078 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.464 -6.581 -18.544 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -9.631 -9.324 -19.040 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.149 -9.123 -18.435 1.00 0.00 H new ATOM 500 N PRO A 31 -8.733 -2.432 -22.121 1.00 0.00 N ATOM 501 CA PRO A 31 -8.903 -0.982 -22.394 1.00 0.00 C ATOM 502 C PRO A 31 -10.237 -0.491 -21.824 1.00 0.00 C ATOM 503 O PRO A 31 -11.282 -1.047 -22.100 1.00 0.00 O ATOM 504 CB PRO A 31 -8.888 -0.901 -23.920 1.00 0.00 C ATOM 505 CG PRO A 31 -9.309 -2.260 -24.377 1.00 0.00 C ATOM 506 CD PRO A 31 -8.778 -3.229 -23.356 1.00 0.00 C ATOM 0 HA PRO A 31 -8.133 -0.360 -21.938 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.571 -0.132 -24.282 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.896 -0.648 -24.293 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.394 -2.327 -24.450 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.909 -2.479 -25.367 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.428 -4.098 -23.250 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.791 -3.601 -23.630 1.00 0.00 H new ATOM 514 N GLY A 32 -10.201 0.543 -21.020 1.00 0.00 N ATOM 515 CA GLY A 32 -11.461 1.070 -20.414 1.00 0.00 C ATOM 516 C GLY A 32 -11.660 0.463 -19.018 1.00 0.00 C ATOM 517 O GLY A 32 -12.410 0.980 -18.212 1.00 0.00 O ATOM 0 H GLY A 32 -9.352 1.045 -20.758 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.415 2.157 -20.345 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.311 0.827 -21.051 1.00 0.00 H new ATOM 521 N LEU A 33 -11.000 -0.636 -18.727 1.00 0.00 N ATOM 522 CA LEU A 33 -11.150 -1.295 -17.386 1.00 0.00 C ATOM 523 C LEU A 33 -10.970 -0.285 -16.245 1.00 0.00 C ATOM 524 O LEU A 33 -9.867 0.107 -15.916 1.00 0.00 O ATOM 525 CB LEU A 33 -10.039 -2.354 -17.349 1.00 0.00 C ATOM 526 CG LEU A 33 -10.384 -3.486 -16.371 1.00 0.00 C ATOM 527 CD1 LEU A 33 -10.490 -2.931 -14.954 1.00 0.00 C ATOM 528 CD2 LEU A 33 -11.713 -4.143 -16.767 1.00 0.00 C ATOM 0 H LEU A 33 -10.359 -1.108 -19.365 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.143 -1.725 -17.254 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.891 -2.765 -18.348 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.099 -1.888 -17.054 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.593 -4.235 -16.409 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.735 -3.739 -14.264 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.538 -2.484 -14.666 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.272 -2.173 -14.918 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.946 -4.944 -16.066 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.508 -3.398 -16.744 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.630 -4.554 -17.773 1.00 0.00 H new ATOM 540 N SER A 34 -12.056 0.129 -15.643 1.00 0.00 N ATOM 541 CA SER A 34 -11.976 1.110 -14.515 1.00 0.00 C ATOM 542 C SER A 34 -11.068 0.570 -13.404 1.00 0.00 C ATOM 543 O SER A 34 -10.435 -0.457 -13.558 1.00 0.00 O ATOM 544 CB SER A 34 -13.412 1.257 -14.008 1.00 0.00 C ATOM 545 OG SER A 34 -14.012 -0.029 -13.920 1.00 0.00 O ATOM 0 H SER A 34 -13.000 -0.171 -15.885 1.00 0.00 H new ATOM 0 HA SER A 34 -11.557 2.065 -14.832 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.418 1.741 -13.032 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.985 1.893 -14.683 1.00 0.00 H new ATOM 0 HG SER A 34 -14.932 0.061 -13.594 1.00 0.00 H new ATOM 551 N ILE A 35 -11.001 1.254 -12.291 1.00 0.00 N ATOM 552 CA ILE A 35 -10.130 0.783 -11.169 1.00 0.00 C ATOM 553 C ILE A 35 -10.934 -0.093 -10.192 1.00 0.00 C ATOM 554 O ILE A 35 -10.523 -0.313 -9.068 1.00 0.00 O ATOM 555 CB ILE A 35 -9.648 2.062 -10.473 1.00 0.00 C ATOM 556 CG1 ILE A 35 -8.914 2.963 -11.482 1.00 0.00 C ATOM 557 CG2 ILE A 35 -8.692 1.695 -9.333 1.00 0.00 C ATOM 558 CD1 ILE A 35 -9.827 4.118 -11.906 1.00 0.00 C ATOM 0 H ILE A 35 -11.511 2.118 -12.109 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.299 0.174 -11.525 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.510 2.596 -10.073 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.000 3.355 -11.036 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.619 2.381 -12.355 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.350 2.604 -8.838 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.211 1.063 -8.612 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.835 1.156 -9.736 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.303 4.753 -12.620 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -10.729 3.718 -12.370 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.100 4.706 -11.030 1.00 0.00 H new ATOM 570 N GLY A 36 -12.071 -0.592 -10.612 1.00 0.00 N ATOM 571 CA GLY A 36 -12.894 -1.450 -9.709 1.00 0.00 C ATOM 572 C GLY A 36 -12.677 -2.922 -10.065 1.00 0.00 C ATOM 573 O GLY A 36 -12.355 -3.732 -9.217 1.00 0.00 O ATOM 0 H GLY A 36 -12.463 -0.441 -11.541 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.618 -1.272 -8.670 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.949 -1.193 -9.807 1.00 0.00 H new ATOM 577 N ASP A 37 -12.857 -3.271 -11.314 1.00 0.00 N ATOM 578 CA ASP A 37 -12.669 -4.695 -11.733 1.00 0.00 C ATOM 579 C ASP A 37 -11.221 -5.135 -11.493 1.00 0.00 C ATOM 580 O ASP A 37 -10.977 -6.201 -10.959 1.00 0.00 O ATOM 581 CB ASP A 37 -12.998 -4.729 -13.225 1.00 0.00 C ATOM 582 CG ASP A 37 -14.449 -4.295 -13.440 1.00 0.00 C ATOM 583 OD1 ASP A 37 -15.331 -4.993 -12.969 1.00 0.00 O ATOM 584 OD2 ASP A 37 -14.654 -3.271 -14.073 1.00 0.00 O ATOM 0 H ASP A 37 -13.126 -2.632 -12.062 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.306 -5.372 -11.164 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.325 -4.068 -13.771 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.846 -5.734 -13.618 1.00 0.00 H new ATOM 589 N THR A 38 -10.261 -4.327 -11.878 1.00 0.00 N ATOM 590 CA THR A 38 -8.834 -4.715 -11.660 1.00 0.00 C ATOM 591 C THR A 38 -8.537 -4.740 -10.161 1.00 0.00 C ATOM 592 O THR A 38 -7.728 -5.519 -9.693 1.00 0.00 O ATOM 593 CB THR A 38 -7.983 -3.663 -12.390 1.00 0.00 C ATOM 594 OG1 THR A 38 -6.608 -3.932 -12.159 1.00 0.00 O ATOM 595 CG2 THR A 38 -8.311 -2.254 -11.896 1.00 0.00 C ATOM 0 H THR A 38 -10.404 -3.424 -12.330 1.00 0.00 H new ATOM 0 HA THR A 38 -8.612 -5.710 -12.046 1.00 0.00 H new ATOM 0 HB THR A 38 -8.205 -3.716 -13.456 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.069 -3.182 -12.486 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.695 -1.529 -12.428 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.364 -2.040 -12.080 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.108 -2.187 -10.827 1.00 0.00 H new ATOM 603 N ALA A 39 -9.209 -3.911 -9.402 1.00 0.00 N ATOM 604 CA ALA A 39 -8.995 -3.903 -7.924 1.00 0.00 C ATOM 605 C ALA A 39 -9.464 -5.241 -7.342 1.00 0.00 C ATOM 606 O ALA A 39 -8.959 -5.704 -6.337 1.00 0.00 O ATOM 607 CB ALA A 39 -9.855 -2.754 -7.394 1.00 0.00 C ATOM 0 H ALA A 39 -9.897 -3.239 -9.743 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.948 -3.771 -7.651 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.747 -2.688 -6.311 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.531 -1.818 -7.848 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.900 -2.936 -7.644 1.00 0.00 H new ATOM 613 N LYS A 40 -10.418 -5.869 -7.986 1.00 0.00 N ATOM 614 CA LYS A 40 -10.917 -7.188 -7.499 1.00 0.00 C ATOM 615 C LYS A 40 -9.935 -8.285 -7.915 1.00 0.00 C ATOM 616 O LYS A 40 -9.752 -9.264 -7.216 1.00 0.00 O ATOM 617 CB LYS A 40 -12.271 -7.384 -8.186 1.00 0.00 C ATOM 618 CG LYS A 40 -13.391 -6.936 -7.244 1.00 0.00 C ATOM 619 CD LYS A 40 -13.590 -5.424 -7.372 1.00 0.00 C ATOM 620 CE LYS A 40 -14.697 -4.973 -6.416 1.00 0.00 C ATOM 621 NZ LYS A 40 -14.010 -4.737 -5.116 1.00 0.00 N ATOM 0 H LYS A 40 -10.872 -5.521 -8.831 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.012 -7.228 -6.414 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.308 -6.809 -9.111 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.406 -8.431 -8.456 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -14.317 -7.457 -7.488 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.141 -7.195 -6.215 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -12.661 -4.903 -7.141 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -13.853 -5.167 -8.398 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.184 -4.067 -6.775 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.471 -5.734 -6.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -14.705 -4.425 -4.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.561 -5.619 -4.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -13.283 -4.003 -5.236 1.00 0.00 H new ATOM 635 N LYS A 41 -9.291 -8.114 -9.042 1.00 0.00 N ATOM 636 CA LYS A 41 -8.300 -9.132 -9.509 1.00 0.00 C ATOM 637 C LYS A 41 -6.937 -8.887 -8.845 1.00 0.00 C ATOM 638 O LYS A 41 -6.113 -9.777 -8.754 1.00 0.00 O ATOM 639 CB LYS A 41 -8.204 -8.927 -11.021 1.00 0.00 C ATOM 640 CG LYS A 41 -7.804 -10.243 -11.690 1.00 0.00 C ATOM 641 CD LYS A 41 -7.358 -9.970 -13.128 1.00 0.00 C ATOM 642 CE LYS A 41 -7.325 -11.285 -13.910 1.00 0.00 C ATOM 643 NZ LYS A 41 -6.186 -12.049 -13.330 1.00 0.00 N ATOM 0 H LYS A 41 -9.409 -7.311 -9.660 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.600 -10.148 -9.254 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.161 -8.583 -11.414 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.470 -8.154 -11.248 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.997 -10.716 -11.131 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.645 -10.936 -11.684 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.042 -9.268 -13.605 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.371 -9.507 -13.132 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.262 -11.831 -13.803 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.179 -11.107 -14.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.936 -12.835 -13.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.366 -11.419 -13.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.459 -12.428 -12.401 1.00 0.00 H new ATOM 657 N LEU A 42 -6.705 -7.687 -8.368 1.00 0.00 N ATOM 658 CA LEU A 42 -5.411 -7.374 -7.693 1.00 0.00 C ATOM 659 C LEU A 42 -5.480 -7.817 -6.231 1.00 0.00 C ATOM 660 O LEU A 42 -4.677 -8.606 -5.773 1.00 0.00 O ATOM 661 CB LEU A 42 -5.276 -5.855 -7.787 1.00 0.00 C ATOM 662 CG LEU A 42 -4.264 -5.488 -8.874 1.00 0.00 C ATOM 663 CD1 LEU A 42 -4.761 -5.966 -10.239 1.00 0.00 C ATOM 664 CD2 LEU A 42 -4.100 -3.975 -8.900 1.00 0.00 C ATOM 0 H LEU A 42 -7.362 -6.908 -8.419 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.562 -7.884 -8.149 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.244 -5.409 -8.014 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.955 -5.450 -6.827 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.309 -5.968 -8.658 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.033 -5.699 -11.005 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.889 -7.048 -10.221 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.716 -5.491 -10.465 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.381 -3.700 -9.671 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.061 -3.509 -9.117 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.741 -3.631 -7.930 1.00 0.00 H new ATOM 676 N GLY A 43 -6.447 -7.316 -5.496 1.00 0.00 N ATOM 677 CA GLY A 43 -6.593 -7.705 -4.055 1.00 0.00 C ATOM 678 C GLY A 43 -6.618 -9.233 -3.936 1.00 0.00 C ATOM 679 O GLY A 43 -6.208 -9.793 -2.936 1.00 0.00 O ATOM 0 H GLY A 43 -7.144 -6.652 -5.834 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.767 -7.298 -3.472 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.510 -7.283 -3.645 1.00 0.00 H new ATOM 683 N GLU A 44 -7.071 -9.906 -4.965 1.00 0.00 N ATOM 684 CA GLU A 44 -7.093 -11.396 -4.933 1.00 0.00 C ATOM 685 C GLU A 44 -5.653 -11.901 -5.016 1.00 0.00 C ATOM 686 O GLU A 44 -5.280 -12.859 -4.368 1.00 0.00 O ATOM 687 CB GLU A 44 -7.889 -11.822 -6.170 1.00 0.00 C ATOM 688 CG GLU A 44 -8.080 -13.339 -6.156 1.00 0.00 C ATOM 689 CD GLU A 44 -9.238 -13.701 -5.225 1.00 0.00 C ATOM 690 OE1 GLU A 44 -8.995 -13.844 -4.038 1.00 0.00 O ATOM 691 OE2 GLU A 44 -10.349 -13.829 -5.714 1.00 0.00 O ATOM 0 H GLU A 44 -7.426 -9.486 -5.824 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.542 -11.798 -4.025 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.858 -11.323 -6.182 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.364 -11.519 -7.076 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.284 -13.699 -7.164 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.165 -13.828 -5.822 1.00 0.00 H new ATOM 698 N MET A 45 -4.841 -11.241 -5.805 1.00 0.00 N ATOM 699 CA MET A 45 -3.413 -11.651 -5.935 1.00 0.00 C ATOM 700 C MET A 45 -2.615 -11.112 -4.746 1.00 0.00 C ATOM 701 O MET A 45 -1.800 -11.808 -4.176 1.00 0.00 O ATOM 702 CB MET A 45 -2.929 -11.018 -7.240 1.00 0.00 C ATOM 703 CG MET A 45 -3.230 -11.958 -8.408 1.00 0.00 C ATOM 704 SD MET A 45 -3.062 -11.056 -9.968 1.00 0.00 S ATOM 705 CE MET A 45 -1.253 -11.066 -10.043 1.00 0.00 C ATOM 0 H MET A 45 -5.110 -10.433 -6.366 1.00 0.00 H new ATOM 0 HA MET A 45 -3.289 -12.734 -5.946 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.422 -10.059 -7.396 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.858 -10.821 -7.185 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.546 -12.807 -8.391 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.239 -12.360 -8.315 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.884 -10.041 -10.072 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.855 -11.569 -9.162 1.00 0.00 H new ATOM 0 HE3 MET A 45 -0.929 -11.594 -10.940 1.00 0.00 H new ATOM 715 N TRP A 46 -2.865 -9.881 -4.351 1.00 0.00 N ATOM 716 CA TRP A 46 -2.135 -9.286 -3.176 1.00 0.00 C ATOM 717 C TRP A 46 -2.243 -10.225 -1.965 1.00 0.00 C ATOM 718 O TRP A 46 -1.257 -10.544 -1.329 1.00 0.00 O ATOM 719 CB TRP A 46 -2.838 -7.944 -2.913 1.00 0.00 C ATOM 720 CG TRP A 46 -2.304 -7.313 -1.667 1.00 0.00 C ATOM 721 CD1 TRP A 46 -3.037 -6.972 -0.584 1.00 0.00 C ATOM 722 CD2 TRP A 46 -0.932 -6.949 -1.364 1.00 0.00 C ATOM 723 NE1 TRP A 46 -2.198 -6.416 0.367 1.00 0.00 N ATOM 724 CE2 TRP A 46 -0.889 -6.381 -0.071 1.00 0.00 C ATOM 725 CE3 TRP A 46 0.267 -7.056 -2.085 1.00 0.00 C ATOM 726 CZ2 TRP A 46 0.307 -5.935 0.489 1.00 0.00 C ATOM 727 CZ3 TRP A 46 1.473 -6.608 -1.526 1.00 0.00 C ATOM 728 CH2 TRP A 46 1.491 -6.050 -0.244 1.00 0.00 C ATOM 0 H TRP A 46 -3.544 -9.261 -4.792 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.071 -9.146 -3.364 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.688 -7.275 -3.760 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -3.912 -8.101 -2.817 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.103 -7.110 -0.478 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.508 -6.075 1.277 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.261 -7.486 -3.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 0.318 -5.505 1.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.391 -6.694 -2.088 1.00 0.00 H new ATOM 0 HH2 TRP A 46 2.423 -5.707 0.181 1.00 0.00 H new ATOM 739 N SER A 47 -3.433 -10.679 -1.662 1.00 0.00 N ATOM 740 CA SER A 47 -3.610 -11.614 -0.508 1.00 0.00 C ATOM 741 C SER A 47 -2.893 -12.946 -0.782 1.00 0.00 C ATOM 742 O SER A 47 -2.748 -13.768 0.104 1.00 0.00 O ATOM 743 CB SER A 47 -5.120 -11.835 -0.395 1.00 0.00 C ATOM 744 OG SER A 47 -5.405 -12.508 0.824 1.00 0.00 O ATOM 0 H SER A 47 -4.289 -10.443 -2.163 1.00 0.00 H new ATOM 0 HA SER A 47 -3.188 -11.209 0.412 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.643 -10.879 -0.427 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.478 -12.422 -1.241 1.00 0.00 H new ATOM 0 HG SER A 47 -6.372 -12.650 0.901 1.00 0.00 H new ATOM 750 N GLU A 48 -2.431 -13.162 -1.994 1.00 0.00 N ATOM 751 CA GLU A 48 -1.713 -14.422 -2.320 1.00 0.00 C ATOM 752 C GLU A 48 -0.205 -14.171 -2.393 1.00 0.00 C ATOM 753 O GLU A 48 0.578 -15.103 -2.387 1.00 0.00 O ATOM 754 CB GLU A 48 -2.257 -14.831 -3.688 1.00 0.00 C ATOM 755 CG GLU A 48 -3.537 -15.650 -3.508 1.00 0.00 C ATOM 756 CD GLU A 48 -3.177 -17.085 -3.123 1.00 0.00 C ATOM 757 OE1 GLU A 48 -2.861 -17.306 -1.965 1.00 0.00 O ATOM 758 OE2 GLU A 48 -3.224 -17.940 -3.992 1.00 0.00 O ATOM 0 H GLU A 48 -2.526 -12.509 -2.772 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.865 -15.196 -1.567 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.462 -13.945 -4.289 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.512 -15.416 -4.227 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.162 -15.202 -2.736 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.117 -15.645 -4.431 1.00 0.00 H new ATOM 765 N GLN A 49 0.220 -12.924 -2.457 1.00 0.00 N ATOM 766 CA GLN A 49 1.686 -12.641 -2.523 1.00 0.00 C ATOM 767 C GLN A 49 2.369 -13.182 -1.269 1.00 0.00 C ATOM 768 O GLN A 49 1.834 -13.108 -0.180 1.00 0.00 O ATOM 769 CB GLN A 49 1.816 -11.110 -2.573 1.00 0.00 C ATOM 770 CG GLN A 49 1.162 -10.558 -3.844 1.00 0.00 C ATOM 771 CD GLN A 49 1.839 -11.148 -5.085 1.00 0.00 C ATOM 772 OE1 GLN A 49 3.002 -11.495 -5.050 1.00 0.00 O ATOM 773 NE2 GLN A 49 1.150 -11.276 -6.185 1.00 0.00 N ATOM 0 H GLN A 49 -0.383 -12.102 -2.466 1.00 0.00 H new ATOM 0 HA GLN A 49 2.153 -13.111 -3.389 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.345 -10.670 -1.694 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.868 -10.827 -2.546 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.099 -10.801 -3.850 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.241 -9.471 -3.860 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.173 -10.984 -6.212 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.588 -11.668 -7.018 1.00 0.00 H new ATOM 782 N SER A 50 3.548 -13.714 -1.415 1.00 0.00 N ATOM 783 CA SER A 50 4.283 -14.246 -0.235 1.00 0.00 C ATOM 784 C SER A 50 5.180 -13.129 0.339 1.00 0.00 C ATOM 785 O SER A 50 4.679 -12.093 0.738 1.00 0.00 O ATOM 786 CB SER A 50 5.083 -15.436 -0.779 1.00 0.00 C ATOM 787 OG SER A 50 6.056 -14.964 -1.701 1.00 0.00 O ATOM 0 H SER A 50 4.037 -13.804 -2.305 1.00 0.00 H new ATOM 0 HA SER A 50 3.640 -14.568 0.584 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.568 -15.968 0.039 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.415 -16.145 -1.268 1.00 0.00 H new ATOM 0 HG SER A 50 6.571 -15.721 -2.050 1.00 0.00 H new ATOM 793 N ALA A 51 6.487 -13.302 0.384 1.00 0.00 N ATOM 794 CA ALA A 51 7.362 -12.221 0.927 1.00 0.00 C ATOM 795 C ALA A 51 8.101 -11.492 -0.207 1.00 0.00 C ATOM 796 O ALA A 51 8.805 -10.528 0.030 1.00 0.00 O ATOM 797 CB ALA A 51 8.356 -12.937 1.842 1.00 0.00 C ATOM 0 H ALA A 51 6.975 -14.140 0.069 1.00 0.00 H new ATOM 0 HA ALA A 51 6.787 -11.463 1.458 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.037 -12.208 2.281 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.814 -13.452 2.635 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.927 -13.663 1.262 1.00 0.00 H new ATOM 803 N LYS A 52 7.948 -11.933 -1.436 1.00 0.00 N ATOM 804 CA LYS A 52 8.643 -11.251 -2.571 1.00 0.00 C ATOM 805 C LYS A 52 7.861 -10.001 -2.981 1.00 0.00 C ATOM 806 O LYS A 52 8.431 -8.956 -3.235 1.00 0.00 O ATOM 807 CB LYS A 52 8.656 -12.275 -3.707 1.00 0.00 C ATOM 808 CG LYS A 52 9.625 -11.814 -4.798 1.00 0.00 C ATOM 809 CD LYS A 52 9.292 -12.525 -6.110 1.00 0.00 C ATOM 810 CE LYS A 52 9.746 -11.663 -7.289 1.00 0.00 C ATOM 811 NZ LYS A 52 8.844 -12.040 -8.412 1.00 0.00 N ATOM 0 H LYS A 52 7.373 -12.734 -1.699 1.00 0.00 H new ATOM 0 HA LYS A 52 9.651 -10.929 -2.309 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.957 -13.251 -3.327 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.654 -12.389 -4.120 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.554 -10.734 -4.929 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.651 -12.033 -4.504 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.786 -13.496 -6.145 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.220 -12.710 -6.173 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.664 -10.601 -7.056 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.789 -11.855 -7.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.094 -11.489 -9.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.949 -13.054 -8.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.858 -11.840 -8.148 1.00 0.00 H new ATOM 825 N ASP A 53 6.559 -10.105 -3.041 1.00 0.00 N ATOM 826 CA ASP A 53 5.721 -8.929 -3.425 1.00 0.00 C ATOM 827 C ASP A 53 4.737 -8.605 -2.299 1.00 0.00 C ATOM 828 O ASP A 53 3.535 -8.572 -2.495 1.00 0.00 O ATOM 829 CB ASP A 53 4.971 -9.369 -4.681 1.00 0.00 C ATOM 830 CG ASP A 53 5.662 -8.798 -5.922 1.00 0.00 C ATOM 831 OD1 ASP A 53 6.798 -9.169 -6.166 1.00 0.00 O ATOM 832 OD2 ASP A 53 5.042 -8.001 -6.607 1.00 0.00 O ATOM 0 H ASP A 53 6.037 -10.958 -2.840 1.00 0.00 H new ATOM 0 HA ASP A 53 6.316 -8.033 -3.602 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.943 -10.457 -4.737 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.937 -9.025 -4.638 1.00 0.00 H new ATOM 837 N LYS A 54 5.245 -8.368 -1.119 1.00 0.00 N ATOM 838 CA LYS A 54 4.356 -8.046 0.032 1.00 0.00 C ATOM 839 C LYS A 54 5.168 -7.566 1.242 1.00 0.00 C ATOM 840 O LYS A 54 4.712 -6.738 2.008 1.00 0.00 O ATOM 841 CB LYS A 54 3.649 -9.362 0.347 1.00 0.00 C ATOM 842 CG LYS A 54 2.182 -9.080 0.688 1.00 0.00 C ATOM 843 CD LYS A 54 1.573 -10.270 1.425 1.00 0.00 C ATOM 844 CE LYS A 54 2.136 -10.339 2.847 1.00 0.00 C ATOM 845 NZ LYS A 54 1.177 -9.558 3.676 1.00 0.00 N ATOM 0 H LYS A 54 6.242 -8.384 -0.903 1.00 0.00 H new ATOM 0 HA LYS A 54 3.659 -7.241 -0.202 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.713 -10.036 -0.507 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.139 -9.860 1.183 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.110 -8.185 1.306 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.620 -8.883 -0.225 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.488 -10.173 1.457 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.795 -11.194 0.890 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.210 -11.370 3.193 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.138 -9.914 2.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.494 -9.558 4.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.133 -8.579 3.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.233 -9.990 3.615 1.00 0.00 H new ATOM 859 N GLN A 55 6.363 -8.071 1.418 1.00 0.00 N ATOM 860 CA GLN A 55 7.201 -7.633 2.576 1.00 0.00 C ATOM 861 C GLN A 55 7.694 -6.192 2.363 1.00 0.00 C ATOM 862 O GLN A 55 7.457 -5.339 3.194 1.00 0.00 O ATOM 863 CB GLN A 55 8.380 -8.607 2.620 1.00 0.00 C ATOM 864 CG GLN A 55 8.068 -9.748 3.590 1.00 0.00 C ATOM 865 CD GLN A 55 7.971 -9.198 5.013 1.00 0.00 C ATOM 866 OE1 GLN A 55 8.973 -8.894 5.630 1.00 0.00 O ATOM 867 NE2 GLN A 55 6.797 -9.054 5.566 1.00 0.00 N ATOM 0 H GLN A 55 6.795 -8.767 0.810 1.00 0.00 H new ATOM 0 HA GLN A 55 6.640 -7.641 3.511 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.573 -9.006 1.624 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.284 -8.086 2.935 1.00 0.00 H new ATOM 0 HG2 GLN A 55 7.131 -10.230 3.311 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.847 -10.509 3.535 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.955 -9.309 5.049 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.722 -8.687 6.515 1.00 0.00 H new ATOM 876 N PRO A 56 8.366 -5.952 1.254 1.00 0.00 N ATOM 877 CA PRO A 56 8.871 -4.583 0.971 1.00 0.00 C ATOM 878 C PRO A 56 7.720 -3.640 0.581 1.00 0.00 C ATOM 879 O PRO A 56 7.916 -2.449 0.430 1.00 0.00 O ATOM 880 CB PRO A 56 9.816 -4.784 -0.210 1.00 0.00 C ATOM 881 CG PRO A 56 9.333 -6.026 -0.885 1.00 0.00 C ATOM 882 CD PRO A 56 8.721 -6.897 0.179 1.00 0.00 C ATOM 0 HA PRO A 56 9.355 -4.129 1.836 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.788 -3.930 -0.887 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.848 -4.892 0.124 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.600 -5.786 -1.655 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.157 -6.542 -1.379 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.843 -7.425 -0.194 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.424 -7.653 0.529 1.00 0.00 H new ATOM 890 N TYR A 57 6.525 -4.160 0.409 1.00 0.00 N ATOM 891 CA TYR A 57 5.373 -3.293 0.021 1.00 0.00 C ATOM 892 C TYR A 57 4.726 -2.667 1.260 1.00 0.00 C ATOM 893 O TYR A 57 4.386 -1.498 1.265 1.00 0.00 O ATOM 894 CB TYR A 57 4.393 -4.237 -0.679 1.00 0.00 C ATOM 895 CG TYR A 57 4.895 -4.547 -2.068 1.00 0.00 C ATOM 896 CD1 TYR A 57 6.061 -5.304 -2.241 1.00 0.00 C ATOM 897 CD2 TYR A 57 4.195 -4.078 -3.184 1.00 0.00 C ATOM 898 CE1 TYR A 57 6.524 -5.589 -3.531 1.00 0.00 C ATOM 899 CE2 TYR A 57 4.658 -4.363 -4.472 1.00 0.00 C ATOM 900 CZ TYR A 57 5.823 -5.119 -4.647 1.00 0.00 C ATOM 901 OH TYR A 57 6.280 -5.400 -5.919 1.00 0.00 O ATOM 0 H TYR A 57 6.302 -5.149 0.522 1.00 0.00 H new ATOM 0 HA TYR A 57 5.678 -2.466 -0.620 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.287 -5.158 -0.106 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.405 -3.779 -0.732 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.602 -5.667 -1.380 1.00 0.00 H new ATOM 0 HD2 TYR A 57 3.296 -3.495 -3.051 1.00 0.00 H new ATOM 0 HE1 TYR A 57 7.423 -6.172 -3.665 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.116 -4.000 -5.333 1.00 0.00 H new ATOM 0 HH TYR A 57 5.985 -4.697 -6.535 1.00 0.00 H new ATOM 911 N GLU A 58 4.549 -3.436 2.306 1.00 0.00 N ATOM 912 CA GLU A 58 3.920 -2.887 3.546 1.00 0.00 C ATOM 913 C GLU A 58 4.926 -2.040 4.338 1.00 0.00 C ATOM 914 O GLU A 58 4.546 -1.214 5.146 1.00 0.00 O ATOM 915 CB GLU A 58 3.481 -4.114 4.355 1.00 0.00 C ATOM 916 CG GLU A 58 4.699 -4.985 4.696 1.00 0.00 C ATOM 917 CD GLU A 58 5.034 -4.851 6.184 1.00 0.00 C ATOM 918 OE1 GLU A 58 5.392 -3.758 6.594 1.00 0.00 O ATOM 919 OE2 GLU A 58 4.928 -5.841 6.888 1.00 0.00 O ATOM 0 H GLU A 58 4.813 -4.420 2.354 1.00 0.00 H new ATOM 0 HA GLU A 58 3.079 -2.232 3.318 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.984 -3.796 5.271 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.757 -4.695 3.784 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.491 -6.027 4.453 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.555 -4.682 4.093 1.00 0.00 H new ATOM 926 N GLN A 59 6.205 -2.235 4.110 1.00 0.00 N ATOM 927 CA GLN A 59 7.230 -1.437 4.849 1.00 0.00 C ATOM 928 C GLN A 59 7.366 -0.048 4.219 1.00 0.00 C ATOM 929 O GLN A 59 6.977 0.945 4.802 1.00 0.00 O ATOM 930 CB GLN A 59 8.534 -2.224 4.701 1.00 0.00 C ATOM 931 CG GLN A 59 8.491 -3.455 5.608 1.00 0.00 C ATOM 932 CD GLN A 59 9.488 -4.499 5.098 1.00 0.00 C ATOM 933 OE1 GLN A 59 9.163 -5.664 4.989 1.00 0.00 O ATOM 934 NE2 GLN A 59 10.697 -4.126 4.779 1.00 0.00 N ATOM 0 H GLN A 59 6.580 -2.911 3.445 1.00 0.00 H new ATOM 0 HA GLN A 59 6.964 -1.290 5.896 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.672 -2.528 3.663 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.384 -1.594 4.965 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.735 -3.174 6.633 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.485 -3.874 5.623 1.00 0.00 H new ATOM 0 HE21 GLN A 59 10.970 -3.147 4.871 1.00 0.00 H new ATOM 0 HE22 GLN A 59 11.369 -4.813 4.438 1.00 0.00 H new ATOM 943 N LYS A 60 7.929 0.026 3.034 1.00 0.00 N ATOM 944 CA LYS A 60 8.112 1.351 2.346 1.00 0.00 C ATOM 945 C LYS A 60 6.822 2.187 2.382 1.00 0.00 C ATOM 946 O LYS A 60 6.864 3.402 2.348 1.00 0.00 O ATOM 947 CB LYS A 60 8.474 1.001 0.901 1.00 0.00 C ATOM 948 CG LYS A 60 8.926 2.264 0.166 1.00 0.00 C ATOM 949 CD LYS A 60 8.967 1.991 -1.339 1.00 0.00 C ATOM 950 CE LYS A 60 9.572 3.197 -2.061 1.00 0.00 C ATOM 951 NZ LYS A 60 8.446 4.159 -2.214 1.00 0.00 N ATOM 0 H LYS A 60 8.272 -0.779 2.509 1.00 0.00 H new ATOM 0 HA LYS A 60 8.879 1.950 2.837 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.268 0.255 0.885 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.614 0.562 0.396 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.242 3.086 0.379 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.911 2.570 0.518 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.559 1.098 -1.541 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.961 1.798 -1.712 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.388 3.633 -1.485 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.982 2.912 -3.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.164 4.207 -3.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.638 3.842 -1.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.748 5.101 -1.894 1.00 0.00 H new ATOM 965 N ALA A 61 5.685 1.543 2.468 1.00 0.00 N ATOM 966 CA ALA A 61 4.397 2.296 2.526 1.00 0.00 C ATOM 967 C ALA A 61 4.080 2.647 3.979 1.00 0.00 C ATOM 968 O ALA A 61 3.586 3.718 4.279 1.00 0.00 O ATOM 969 CB ALA A 61 3.347 1.337 1.970 1.00 0.00 C ATOM 0 H ALA A 61 5.594 0.528 2.501 1.00 0.00 H new ATOM 0 HA ALA A 61 4.431 3.227 1.961 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.370 1.821 1.981 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.607 1.067 0.947 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.313 0.438 2.585 1.00 0.00 H new ATOM 975 N ALA A 62 4.365 1.744 4.882 1.00 0.00 N ATOM 976 CA ALA A 62 4.090 2.004 6.328 1.00 0.00 C ATOM 977 C ALA A 62 4.864 3.238 6.801 1.00 0.00 C ATOM 978 O ALA A 62 4.321 4.104 7.460 1.00 0.00 O ATOM 979 CB ALA A 62 4.577 0.753 7.064 1.00 0.00 C ATOM 0 H ALA A 62 4.778 0.834 4.679 1.00 0.00 H new ATOM 0 HA ALA A 62 3.034 2.198 6.514 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.407 0.871 8.134 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.029 -0.118 6.704 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.642 0.613 6.879 1.00 0.00 H new ATOM 985 N LYS A 63 6.126 3.325 6.461 1.00 0.00 N ATOM 986 CA LYS A 63 6.938 4.509 6.882 1.00 0.00 C ATOM 987 C LYS A 63 6.415 5.769 6.191 1.00 0.00 C ATOM 988 O LYS A 63 6.050 6.735 6.833 1.00 0.00 O ATOM 989 CB LYS A 63 8.367 4.201 6.428 1.00 0.00 C ATOM 990 CG LYS A 63 9.352 5.065 7.216 1.00 0.00 C ATOM 991 CD LYS A 63 10.766 4.850 6.675 1.00 0.00 C ATOM 992 CE LYS A 63 11.280 3.478 7.115 1.00 0.00 C ATOM 993 NZ LYS A 63 11.859 3.700 8.469 1.00 0.00 N ATOM 0 H LYS A 63 6.629 2.629 5.911 1.00 0.00 H new ATOM 0 HA LYS A 63 6.887 4.685 7.956 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.589 3.145 6.583 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.470 4.395 5.360 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.076 6.116 7.134 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.313 4.807 8.274 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.764 4.917 5.587 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.430 5.633 7.042 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.473 2.746 7.146 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.030 3.097 6.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.796 2.821 9.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.856 3.981 8.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.330 4.453 8.954 1.00 0.00 H new ATOM 1007 N LEU A 64 6.377 5.763 4.880 1.00 0.00 N ATOM 1008 CA LEU A 64 5.878 6.959 4.123 1.00 0.00 C ATOM 1009 C LEU A 64 4.497 7.374 4.638 1.00 0.00 C ATOM 1010 O LEU A 64 4.160 8.544 4.664 1.00 0.00 O ATOM 1011 CB LEU A 64 5.789 6.503 2.665 1.00 0.00 C ATOM 1012 CG LEU A 64 7.179 6.550 2.029 1.00 0.00 C ATOM 1013 CD1 LEU A 64 7.147 5.836 0.676 1.00 0.00 C ATOM 1014 CD2 LEU A 64 7.596 8.008 1.825 1.00 0.00 C ATOM 0 H LEU A 64 6.671 4.979 4.298 1.00 0.00 H new ATOM 0 HA LEU A 64 6.535 7.821 4.240 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.388 5.491 2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.103 7.146 2.113 1.00 0.00 H new ATOM 0 HG LEU A 64 7.895 6.054 2.684 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.138 5.870 0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.849 4.797 0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.431 6.331 0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.587 8.043 1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.879 8.503 1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.619 8.518 2.788 1.00 0.00 H new ATOM 1026 N LYS A 65 3.708 6.422 5.061 1.00 0.00 N ATOM 1027 CA LYS A 65 2.355 6.750 5.596 1.00 0.00 C ATOM 1028 C LYS A 65 2.505 7.390 6.977 1.00 0.00 C ATOM 1029 O LYS A 65 1.996 8.464 7.236 1.00 0.00 O ATOM 1030 CB LYS A 65 1.625 5.409 5.701 1.00 0.00 C ATOM 1031 CG LYS A 65 0.195 5.641 6.191 1.00 0.00 C ATOM 1032 CD LYS A 65 -0.309 4.388 6.908 1.00 0.00 C ATOM 1033 CE LYS A 65 -1.596 4.716 7.668 1.00 0.00 C ATOM 1034 NZ LYS A 65 -1.142 5.195 9.004 1.00 0.00 N ATOM 0 H LYS A 65 3.943 5.429 5.059 1.00 0.00 H new ATOM 0 HA LYS A 65 1.809 7.450 4.963 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.612 4.914 4.730 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.153 4.749 6.389 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.165 6.496 6.866 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.455 5.877 5.349 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.493 3.593 6.186 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.450 4.022 7.599 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.176 5.480 7.151 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.235 3.838 7.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.969 5.440 9.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.598 4.444 9.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.541 6.036 8.886 1.00 0.00 H new