USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 731 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 45 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.611 X(o=-0.61,f=-0.61) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HE2:sc= -1.11 K(o=-1.1,f=-2.2!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -1.42 K(o=-1.4,f=-6.7!) USER MOD Single : A 55 SER OG : rot 180:sc= -0.0516 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 30:sc= -0.542 USER MOD Single : A 64 HIS : no HD1:sc= -1.62 K(o=-1.6,f=-0.59) USER MOD Single : A 65 TYR OH : rot 60:sc= -0.424 USER MOD Single : A 68 ASN : amide:sc= 0.0296 X(o=0.03,f=-0.017) USER MOD Single : A 69 THR OG1 : rot -22:sc= 0.438 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.184 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 81 SER OG : rot 22:sc= 0.0116 USER MOD Single : A 84 SER OG : rot 180:sc= -3.04! USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 92 HIS : no HD1:sc= -1.21 X(o=-1.2,f=-0.8) USER MOD Single : A 93 HIS : no HD1:sc= -1.83 K(o=-1.8,f=-0.9) USER MOD Single : A 94 SER OG : rot 27:sc= 0.83 USER MOD Single : A 95 THR OG1 : rot 80:sc= 0.00164 USER MOD Single : A 102 THR OG1 : rot 164:sc= 0.376 USER MOD Single : A 103 THR OG1 : rot 48:sc= 0.0617 USER MOD Single : A 105 HIS : no HD1:sc= -0.178 X(o=-0.18,f=-0.046) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 170 N LYS A 15 -7.805 -2.162 -9.533 1.00 0.00 N ATOM 171 CA LYS A 15 -8.972 -1.686 -10.270 1.00 0.00 C ATOM 172 C LYS A 15 -9.328 -0.261 -9.860 1.00 0.00 C ATOM 173 O LYS A 15 -9.377 0.643 -10.696 1.00 0.00 O ATOM 174 CB LYS A 15 -10.166 -2.612 -10.027 1.00 0.00 C ATOM 175 CG LYS A 15 -10.177 -3.838 -10.924 1.00 0.00 C ATOM 176 CD LYS A 15 -10.358 -3.459 -12.385 1.00 0.00 C ATOM 177 CE LYS A 15 -10.872 -4.632 -13.206 1.00 0.00 C ATOM 178 NZ LYS A 15 -11.591 -4.180 -14.430 1.00 0.00 N ATOM 0 HA LYS A 15 -8.728 -1.690 -11.332 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.159 -2.934 -8.986 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.088 -2.051 -10.181 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.243 -4.387 -10.803 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.982 -4.506 -10.618 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.057 -2.626 -12.462 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.407 -3.116 -12.794 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.035 -5.270 -13.491 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.541 -5.238 -12.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.926 -5.009 -14.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.404 -3.592 -14.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.946 -3.623 -15.026 1.00 0.00 H new ATOM 192 N HIS A 16 -9.575 -0.065 -8.568 1.00 0.00 N ATOM 193 CA HIS A 16 -9.925 1.251 -8.047 1.00 0.00 C ATOM 194 C HIS A 16 -8.727 2.195 -8.108 1.00 0.00 C ATOM 195 O HIS A 16 -7.588 1.785 -7.883 1.00 0.00 O ATOM 196 CB HIS A 16 -10.426 1.136 -6.608 1.00 0.00 C ATOM 197 CG HIS A 16 -11.306 -0.050 -6.372 1.00 0.00 C ATOM 198 ND1 HIS A 16 -12.549 -0.193 -6.954 1.00 0.00 N ATOM 199 CD2 HIS A 16 -11.119 -1.157 -5.616 1.00 0.00 C ATOM 200 CE1 HIS A 16 -13.087 -1.336 -6.564 1.00 0.00 C ATOM 201 NE2 HIS A 16 -12.238 -1.940 -5.751 1.00 0.00 N ATOM 0 H HIS A 16 -9.539 -0.801 -7.863 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.721 1.661 -8.669 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -9.569 1.081 -5.937 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -10.975 2.042 -6.350 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -10.249 -1.383 -5.017 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -14.055 -1.712 -6.859 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -12.390 -2.841 -5.298 1.00 0.00 H new ATOM 210 N SER A 17 -8.992 3.463 -8.413 1.00 0.00 N ATOM 211 CA SER A 17 -7.937 4.463 -8.509 1.00 0.00 C ATOM 212 C SER A 17 -7.275 4.685 -7.150 1.00 0.00 C ATOM 213 O SER A 17 -6.050 4.716 -7.043 1.00 0.00 O ATOM 214 CB SER A 17 -8.502 5.783 -9.036 1.00 0.00 C ATOM 215 OG SER A 17 -9.017 5.630 -10.347 1.00 0.00 O ATOM 0 H SER A 17 -9.929 3.820 -8.598 1.00 0.00 H new ATOM 0 HA SER A 17 -7.184 4.096 -9.206 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.290 6.136 -8.371 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.720 6.543 -9.035 1.00 0.00 H new ATOM 0 HG SER A 17 -9.374 6.487 -10.660 1.00 0.00 H new ATOM 221 N TRP A 18 -8.097 4.840 -6.119 1.00 0.00 N ATOM 222 CA TRP A 18 -7.593 5.061 -4.768 1.00 0.00 C ATOM 223 C TRP A 18 -6.792 3.858 -4.284 1.00 0.00 C ATOM 224 O TRP A 18 -5.748 4.010 -3.648 1.00 0.00 O ATOM 225 CB TRP A 18 -8.751 5.338 -3.808 1.00 0.00 C ATOM 226 CG TRP A 18 -9.979 4.535 -4.112 1.00 0.00 C ATOM 227 CD1 TRP A 18 -10.980 4.863 -4.981 1.00 0.00 C ATOM 228 CD2 TRP A 18 -10.337 3.270 -3.544 1.00 0.00 C ATOM 229 NE1 TRP A 18 -11.939 3.879 -4.988 1.00 0.00 N ATOM 230 CE2 TRP A 18 -11.567 2.890 -4.115 1.00 0.00 C ATOM 231 CE3 TRP A 18 -9.737 2.421 -2.611 1.00 0.00 C ATOM 232 CZ2 TRP A 18 -12.206 1.699 -3.782 1.00 0.00 C ATOM 233 CZ3 TRP A 18 -10.373 1.239 -2.280 1.00 0.00 C ATOM 234 CH2 TRP A 18 -11.596 0.886 -2.865 1.00 0.00 C ATOM 0 H TRP A 18 -9.114 4.817 -6.192 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.934 5.929 -4.790 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -8.428 5.123 -2.789 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -9.000 6.398 -3.847 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -11.013 5.764 -5.576 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -12.789 3.884 -5.551 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -8.793 2.683 -2.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -13.149 1.426 -4.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -9.919 0.576 -1.558 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -12.067 -0.046 -2.587 1.00 0.00 H new ATOM 245 N TYR A 19 -7.287 2.663 -4.585 1.00 0.00 N ATOM 246 CA TYR A 19 -6.618 1.432 -4.177 1.00 0.00 C ATOM 247 C TYR A 19 -5.242 1.320 -4.827 1.00 0.00 C ATOM 248 O TYR A 19 -5.123 0.985 -6.006 1.00 0.00 O ATOM 249 CB TYR A 19 -7.470 0.217 -4.548 1.00 0.00 C ATOM 250 CG TYR A 19 -7.027 -1.061 -3.872 1.00 0.00 C ATOM 251 CD1 TYR A 19 -7.537 -1.428 -2.632 1.00 0.00 C ATOM 252 CD2 TYR A 19 -6.098 -1.902 -4.472 1.00 0.00 C ATOM 253 CE1 TYR A 19 -7.133 -2.594 -2.011 1.00 0.00 C ATOM 254 CE2 TYR A 19 -5.691 -3.071 -3.859 1.00 0.00 C ATOM 255 CZ TYR A 19 -6.212 -3.412 -2.629 1.00 0.00 C ATOM 256 OH TYR A 19 -5.809 -4.575 -2.014 1.00 0.00 O ATOM 0 H TYR A 19 -8.150 2.520 -5.110 1.00 0.00 H new ATOM 0 HA TYR A 19 -6.488 1.460 -3.095 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.508 0.417 -4.284 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.438 0.077 -5.628 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -8.261 -0.791 -2.146 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.687 -1.637 -5.435 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.537 -2.863 -1.046 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.969 -3.714 -4.340 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.158 -5.037 -2.582 1.00 0.00 H new ATOM 266 N HIS A 20 -4.202 1.602 -4.048 1.00 0.00 N ATOM 267 CA HIS A 20 -2.833 1.532 -4.546 1.00 0.00 C ATOM 268 C HIS A 20 -2.250 0.136 -4.337 1.00 0.00 C ATOM 269 O HIS A 20 -1.577 -0.403 -5.213 1.00 0.00 O ATOM 270 CB HIS A 20 -1.959 2.572 -3.845 1.00 0.00 C ATOM 271 CG HIS A 20 -1.958 3.907 -4.522 1.00 0.00 C ATOM 272 ND1 HIS A 20 -0.817 4.665 -4.689 1.00 0.00 N ATOM 273 CD2 HIS A 20 -2.965 4.619 -5.077 1.00 0.00 C ATOM 274 CE1 HIS A 20 -1.124 5.787 -5.317 1.00 0.00 C ATOM 275 NE2 HIS A 20 -2.421 5.782 -5.564 1.00 0.00 N ATOM 0 H HIS A 20 -4.281 1.881 -3.070 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.850 1.744 -5.615 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.306 2.694 -2.819 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -0.936 2.199 -3.793 1.00 0.00 H new ATOM 0 HD1 HIS A 20 0.117 4.401 -4.377 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -4.004 4.327 -5.128 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.432 6.573 -5.582 1.00 0.00 H new ATOM 284 N GLY A 21 -2.514 -0.443 -3.169 1.00 0.00 N ATOM 285 CA GLY A 21 -2.008 -1.769 -2.867 1.00 0.00 C ATOM 286 C GLY A 21 -0.757 -1.729 -2.013 1.00 0.00 C ATOM 287 O GLY A 21 -0.788 -1.335 -0.846 1.00 0.00 O ATOM 0 H GLY A 21 -3.069 -0.017 -2.427 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.779 -2.340 -2.350 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.793 -2.293 -3.798 1.00 0.00 H new ATOM 291 N PRO A 22 0.375 -2.149 -2.595 1.00 0.00 N ATOM 292 CA PRO A 22 1.664 -2.172 -1.897 1.00 0.00 C ATOM 293 C PRO A 22 2.206 -0.771 -1.632 1.00 0.00 C ATOM 294 O PRO A 22 2.935 -0.212 -2.449 1.00 0.00 O ATOM 295 CB PRO A 22 2.580 -2.924 -2.866 1.00 0.00 C ATOM 296 CG PRO A 22 1.971 -2.708 -4.208 1.00 0.00 C ATOM 297 CD PRO A 22 0.486 -2.634 -3.981 1.00 0.00 C ATOM 0 HA PRO A 22 1.586 -2.637 -0.914 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.599 -2.539 -2.827 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.631 -3.985 -2.620 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.343 -1.789 -4.662 1.00 0.00 H new ATOM 0 HG3 PRO A 22 2.222 -3.523 -4.886 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.006 -1.954 -4.684 1.00 0.00 H new ATOM 0 HD3 PRO A 22 0.012 -3.608 -4.105 1.00 0.00 H new ATOM 305 N VAL A 23 1.842 -0.210 -0.482 1.00 0.00 N ATOM 306 CA VAL A 23 2.294 1.126 -0.108 1.00 0.00 C ATOM 307 C VAL A 23 2.748 1.164 1.346 1.00 0.00 C ATOM 308 O VAL A 23 1.978 0.858 2.257 1.00 0.00 O ATOM 309 CB VAL A 23 1.180 2.171 -0.316 1.00 0.00 C ATOM 310 CG1 VAL A 23 1.663 3.553 0.101 1.00 0.00 C ATOM 311 CG2 VAL A 23 0.716 2.173 -1.764 1.00 0.00 C ATOM 0 H VAL A 23 1.237 -0.659 0.205 1.00 0.00 H new ATOM 0 HA VAL A 23 3.137 1.370 -0.754 1.00 0.00 H new ATOM 0 HB VAL A 23 0.330 1.904 0.312 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.865 4.279 -0.052 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.943 3.538 1.154 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.528 3.833 -0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.071 2.916 -1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.556 2.417 -2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.330 1.187 -2.024 1.00 0.00 H new ATOM 321 N SER A 24 4.004 1.546 1.556 1.00 0.00 N ATOM 322 CA SER A 24 4.564 1.622 2.901 1.00 0.00 C ATOM 323 C SER A 24 3.995 2.818 3.659 1.00 0.00 C ATOM 324 O SER A 24 3.255 3.627 3.098 1.00 0.00 O ATOM 325 CB SER A 24 6.088 1.724 2.837 1.00 0.00 C ATOM 326 OG SER A 24 6.677 0.447 2.655 1.00 0.00 O ATOM 0 H SER A 24 4.652 1.807 0.813 1.00 0.00 H new ATOM 0 HA SER A 24 4.290 0.711 3.434 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.378 2.382 2.018 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.465 2.174 3.755 1.00 0.00 H new ATOM 0 HG SER A 24 7.652 0.539 2.615 1.00 0.00 H new ATOM 332 N ARG A 25 4.346 2.922 4.937 1.00 0.00 N ATOM 333 CA ARG A 25 3.871 4.017 5.772 1.00 0.00 C ATOM 334 C ARG A 25 4.491 5.342 5.339 1.00 0.00 C ATOM 335 O ARG A 25 3.790 6.337 5.157 1.00 0.00 O ATOM 336 CB ARG A 25 4.198 3.746 7.242 1.00 0.00 C ATOM 337 CG ARG A 25 5.686 3.588 7.515 1.00 0.00 C ATOM 338 CD ARG A 25 5.948 3.206 8.963 1.00 0.00 C ATOM 339 NE ARG A 25 7.376 3.190 9.275 1.00 0.00 N ATOM 340 CZ ARG A 25 7.869 2.784 10.439 1.00 0.00 C ATOM 341 NH1 ARG A 25 7.055 2.363 11.397 1.00 0.00 N ATOM 342 NH2 ARG A 25 9.179 2.798 10.647 1.00 0.00 N ATOM 0 H ARG A 25 4.958 2.261 5.416 1.00 0.00 H new ATOM 0 HA ARG A 25 2.790 4.086 5.654 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.811 4.564 7.849 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.681 2.841 7.560 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.099 2.825 6.856 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.201 4.521 7.285 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.441 3.911 9.621 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.522 2.222 9.161 1.00 0.00 H new ATOM 0 HE ARG A 25 8.029 3.508 8.559 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.047 2.350 11.241 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.437 2.052 12.290 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.809 3.121 9.912 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.557 2.486 11.542 1.00 0.00 H new ATOM 356 N SER A 26 5.810 5.346 5.176 1.00 0.00 N ATOM 357 CA SER A 26 6.527 6.549 4.767 1.00 0.00 C ATOM 358 C SER A 26 6.179 6.927 3.330 1.00 0.00 C ATOM 359 O SER A 26 6.039 8.106 3.004 1.00 0.00 O ATOM 360 CB SER A 26 8.037 6.339 4.900 1.00 0.00 C ATOM 361 OG SER A 26 8.391 6.018 6.234 1.00 0.00 O ATOM 0 H SER A 26 6.404 4.530 5.321 1.00 0.00 H new ATOM 0 HA SER A 26 6.222 7.364 5.423 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.356 5.538 4.233 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.562 7.242 4.588 1.00 0.00 H new ATOM 0 HG SER A 26 9.360 5.887 6.293 1.00 0.00 H new ATOM 367 N ALA A 27 6.039 5.918 2.477 1.00 0.00 N ATOM 368 CA ALA A 27 5.706 6.143 1.077 1.00 0.00 C ATOM 369 C ALA A 27 4.349 6.825 0.937 1.00 0.00 C ATOM 370 O ALA A 27 4.225 7.849 0.265 1.00 0.00 O ATOM 371 CB ALA A 27 5.718 4.828 0.313 1.00 0.00 C ATOM 0 H ALA A 27 6.151 4.937 2.732 1.00 0.00 H new ATOM 0 HA ALA A 27 6.461 6.804 0.653 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.467 5.012 -0.732 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.710 4.380 0.375 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.985 4.148 0.748 1.00 0.00 H new ATOM 377 N ALA A 28 3.336 6.252 1.578 1.00 0.00 N ATOM 378 CA ALA A 28 1.989 6.807 1.527 1.00 0.00 C ATOM 379 C ALA A 28 1.978 8.266 1.969 1.00 0.00 C ATOM 380 O ALA A 28 1.591 9.151 1.206 1.00 0.00 O ATOM 381 CB ALA A 28 1.046 5.984 2.394 1.00 0.00 C ATOM 0 H ALA A 28 3.422 5.404 2.138 1.00 0.00 H new ATOM 0 HA ALA A 28 1.645 6.766 0.493 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.044 6.410 2.347 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.021 4.957 2.031 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.397 5.996 3.426 1.00 0.00 H new ATOM 387 N GLU A 29 2.405 8.509 3.204 1.00 0.00 N ATOM 388 CA GLU A 29 2.442 9.862 3.746 1.00 0.00 C ATOM 389 C GLU A 29 3.179 10.807 2.801 1.00 0.00 C ATOM 390 O GLU A 29 2.725 11.922 2.543 1.00 0.00 O ATOM 391 CB GLU A 29 3.119 9.866 5.119 1.00 0.00 C ATOM 392 CG GLU A 29 2.214 9.399 6.246 1.00 0.00 C ATOM 393 CD GLU A 29 2.819 9.635 7.616 1.00 0.00 C ATOM 394 OE1 GLU A 29 2.901 8.666 8.401 1.00 0.00 O ATOM 395 OE2 GLU A 29 3.211 10.785 7.903 1.00 0.00 O ATOM 0 H GLU A 29 2.730 7.787 3.847 1.00 0.00 H new ATOM 0 HA GLU A 29 1.415 10.211 3.853 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.000 9.225 5.082 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.468 10.875 5.339 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.259 9.921 6.180 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.006 8.336 6.123 1.00 0.00 H new ATOM 403 N TYR A 30 4.317 10.353 2.288 1.00 0.00 N ATOM 404 CA TYR A 30 5.119 11.159 1.374 1.00 0.00 C ATOM 405 C TYR A 30 4.317 11.533 0.132 1.00 0.00 C ATOM 406 O TYR A 30 4.380 12.667 -0.344 1.00 0.00 O ATOM 407 CB TYR A 30 6.382 10.400 0.968 1.00 0.00 C ATOM 408 CG TYR A 30 7.196 11.103 -0.094 1.00 0.00 C ATOM 409 CD1 TYR A 30 8.126 12.078 0.245 1.00 0.00 C ATOM 410 CD2 TYR A 30 7.036 10.792 -1.439 1.00 0.00 C ATOM 411 CE1 TYR A 30 8.870 12.725 -0.723 1.00 0.00 C ATOM 412 CE2 TYR A 30 7.777 11.432 -2.414 1.00 0.00 C ATOM 413 CZ TYR A 30 8.693 12.397 -2.051 1.00 0.00 C ATOM 414 OH TYR A 30 9.432 13.038 -3.018 1.00 0.00 O ATOM 0 H TYR A 30 4.705 9.431 2.489 1.00 0.00 H new ATOM 0 HA TYR A 30 5.403 12.075 1.891 1.00 0.00 H new ATOM 0 HB2 TYR A 30 7.004 10.249 1.850 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.101 9.412 0.603 1.00 0.00 H new ATOM 0 HD1 TYR A 30 8.270 12.335 1.284 1.00 0.00 H new ATOM 0 HD2 TYR A 30 6.320 10.037 -1.727 1.00 0.00 H new ATOM 0 HE1 TYR A 30 9.586 13.483 -0.441 1.00 0.00 H new ATOM 0 HE2 TYR A 30 7.640 11.178 -3.455 1.00 0.00 H new ATOM 0 HH TYR A 30 9.188 12.690 -3.901 1.00 0.00 H new ATOM 424 N LEU A 31 3.560 10.572 -0.388 1.00 0.00 N ATOM 425 CA LEU A 31 2.743 10.800 -1.574 1.00 0.00 C ATOM 426 C LEU A 31 1.681 11.863 -1.310 1.00 0.00 C ATOM 427 O LEU A 31 1.576 12.846 -2.043 1.00 0.00 O ATOM 428 CB LEU A 31 2.075 9.496 -2.015 1.00 0.00 C ATOM 429 CG LEU A 31 1.767 9.371 -3.509 1.00 0.00 C ATOM 430 CD1 LEU A 31 1.083 10.629 -4.018 1.00 0.00 C ATOM 431 CD2 LEU A 31 3.040 9.098 -4.294 1.00 0.00 C ATOM 0 H LEU A 31 3.496 9.628 -0.007 1.00 0.00 H new ATOM 0 HA LEU A 31 3.396 11.156 -2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.719 8.665 -1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.143 9.383 -1.462 1.00 0.00 H new ATOM 0 HG LEU A 31 1.089 8.530 -3.653 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.871 10.523 -5.082 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.150 10.781 -3.476 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.737 11.487 -3.862 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.802 9.012 -5.354 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.742 9.918 -4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.489 8.168 -3.946 1.00 0.00 H new ATOM 443 N LEU A 32 0.899 11.660 -0.254 1.00 0.00 N ATOM 444 CA LEU A 32 -0.153 12.604 0.110 1.00 0.00 C ATOM 445 C LEU A 32 0.361 14.038 0.061 1.00 0.00 C ATOM 446 O LEU A 32 -0.277 14.918 -0.517 1.00 0.00 O ATOM 447 CB LEU A 32 -0.687 12.287 1.507 1.00 0.00 C ATOM 448 CG LEU A 32 -1.489 10.992 1.643 1.00 0.00 C ATOM 449 CD1 LEU A 32 -1.537 10.545 3.096 1.00 0.00 C ATOM 450 CD2 LEU A 32 -2.895 11.176 1.092 1.00 0.00 C ATOM 0 H LEU A 32 0.973 10.852 0.364 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.963 12.505 -0.613 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.157 12.241 2.195 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.317 13.116 1.830 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.992 10.215 1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.112 9.622 3.174 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.523 10.373 3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.011 11.319 3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.452 10.245 1.197 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.402 11.966 1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.840 11.449 0.038 1.00 0.00 H new ATOM 462 N SER A 33 1.520 14.267 0.670 1.00 0.00 N ATOM 463 CA SER A 33 2.119 15.596 0.699 1.00 0.00 C ATOM 464 C SER A 33 2.152 16.208 -0.699 1.00 0.00 C ATOM 465 O SER A 33 1.835 17.383 -0.883 1.00 0.00 O ATOM 466 CB SER A 33 3.537 15.527 1.270 1.00 0.00 C ATOM 467 OG SER A 33 3.944 16.787 1.775 1.00 0.00 O ATOM 0 H SER A 33 2.063 13.549 1.150 1.00 0.00 H new ATOM 0 HA SER A 33 1.506 16.229 1.340 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.577 14.783 2.065 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.230 15.201 0.494 1.00 0.00 H new ATOM 0 HG SER A 33 4.852 16.717 2.136 1.00 0.00 H new ATOM 473 N SER A 34 2.537 15.400 -1.683 1.00 0.00 N ATOM 474 CA SER A 34 2.615 15.862 -3.064 1.00 0.00 C ATOM 475 C SER A 34 1.231 16.224 -3.594 1.00 0.00 C ATOM 476 O SER A 34 1.037 17.289 -4.183 1.00 0.00 O ATOM 477 CB SER A 34 3.247 14.785 -3.948 1.00 0.00 C ATOM 478 OG SER A 34 3.266 15.188 -5.306 1.00 0.00 O ATOM 0 H SER A 34 2.799 14.423 -1.549 1.00 0.00 H new ATOM 0 HA SER A 34 3.239 16.755 -3.089 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.264 14.583 -3.611 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.688 13.854 -3.849 1.00 0.00 H new ATOM 0 HG SER A 34 3.676 14.484 -5.851 1.00 0.00 H new ATOM 484 N LEU A 35 0.270 15.331 -3.382 1.00 0.00 N ATOM 485 CA LEU A 35 -1.096 15.555 -3.838 1.00 0.00 C ATOM 486 C LEU A 35 -1.630 16.889 -3.324 1.00 0.00 C ATOM 487 O LEU A 35 -0.954 17.590 -2.572 1.00 0.00 O ATOM 488 CB LEU A 35 -2.005 14.415 -3.372 1.00 0.00 C ATOM 489 CG LEU A 35 -1.596 13.009 -3.810 1.00 0.00 C ATOM 490 CD1 LEU A 35 -2.341 11.959 -3.002 1.00 0.00 C ATOM 491 CD2 LEU A 35 -1.852 12.820 -5.300 1.00 0.00 C ATOM 0 H LEU A 35 0.413 14.445 -2.897 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.089 15.583 -4.928 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.051 14.436 -2.283 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.014 14.609 -3.737 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.529 12.888 -3.626 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.036 10.965 -3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.108 12.081 -1.944 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.414 12.077 -3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.555 11.814 -5.595 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.913 12.961 -5.508 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.271 13.550 -5.864 1.00 0.00 H new ATOM 503 N ILE A 36 -2.847 17.230 -3.734 1.00 0.00 N ATOM 504 CA ILE A 36 -3.472 18.477 -3.313 1.00 0.00 C ATOM 505 C ILE A 36 -3.804 18.450 -1.824 1.00 0.00 C ATOM 506 O ILE A 36 -3.572 17.452 -1.144 1.00 0.00 O ATOM 507 CB ILE A 36 -4.762 18.759 -4.109 1.00 0.00 C ATOM 508 CG1 ILE A 36 -5.796 17.662 -3.850 1.00 0.00 C ATOM 509 CG2 ILE A 36 -4.453 18.864 -5.595 1.00 0.00 C ATOM 510 CD1 ILE A 36 -7.219 18.100 -4.115 1.00 0.00 C ATOM 0 H ILE A 36 -3.419 16.660 -4.357 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.752 19.272 -3.509 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.178 19.710 -3.776 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.566 16.801 -4.478 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.713 17.332 -2.814 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.373 19.063 -6.145 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.746 19.677 -5.763 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.018 17.927 -5.943 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.898 17.272 -3.911 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.467 18.941 -3.468 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.318 18.402 -5.158 1.00 0.00 H new ATOM 522 N ASN A 37 -4.350 19.555 -1.326 1.00 0.00 N ATOM 523 CA ASN A 37 -4.714 19.658 0.083 1.00 0.00 C ATOM 524 C ASN A 37 -6.086 19.038 0.336 1.00 0.00 C ATOM 525 O ASN A 37 -6.884 19.567 1.110 1.00 0.00 O ATOM 526 CB ASN A 37 -4.714 21.122 0.526 1.00 0.00 C ATOM 527 CG ASN A 37 -3.361 21.570 1.041 1.00 0.00 C ATOM 528 OD1 ASN A 37 -3.195 21.840 2.231 1.00 0.00 O ATOM 529 ND2 ASN A 37 -2.383 21.651 0.144 1.00 0.00 N ATOM 0 H ASN A 37 -4.550 20.390 -1.876 1.00 0.00 H new ATOM 0 HA ASN A 37 -3.973 19.110 0.665 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.007 21.753 -0.313 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -5.462 21.262 1.307 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.450 21.947 0.432 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.566 21.418 -0.832 1.00 0.00 H new ATOM 536 N GLY A 38 -6.353 17.914 -0.321 1.00 0.00 N ATOM 537 CA GLY A 38 -7.627 17.241 -0.154 1.00 0.00 C ATOM 538 C GLY A 38 -7.727 15.974 -0.981 1.00 0.00 C ATOM 539 O GLY A 38 -8.433 15.936 -1.988 1.00 0.00 O ATOM 0 H GLY A 38 -5.709 17.457 -0.967 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.770 16.996 0.899 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.432 17.919 -0.436 1.00 0.00 H new ATOM 543 N SER A 39 -7.018 14.934 -0.554 1.00 0.00 N ATOM 544 CA SER A 39 -7.025 13.661 -1.263 1.00 0.00 C ATOM 545 C SER A 39 -6.879 12.495 -0.291 1.00 0.00 C ATOM 546 O SER A 39 -6.271 12.629 0.772 1.00 0.00 O ATOM 547 CB SER A 39 -5.895 13.623 -2.296 1.00 0.00 C ATOM 548 OG SER A 39 -6.163 14.497 -3.378 1.00 0.00 O ATOM 0 H SER A 39 -6.431 14.949 0.280 1.00 0.00 H new ATOM 0 HA SER A 39 -7.982 13.565 -1.776 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.955 13.904 -1.822 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.772 12.606 -2.668 1.00 0.00 H new ATOM 0 HG SER A 39 -5.426 14.455 -4.022 1.00 0.00 H new ATOM 554 N PHE A 40 -7.444 11.350 -0.661 1.00 0.00 N ATOM 555 CA PHE A 40 -7.379 10.159 0.178 1.00 0.00 C ATOM 556 C PHE A 40 -6.817 8.974 -0.601 1.00 0.00 C ATOM 557 O PHE A 40 -6.961 8.894 -1.822 1.00 0.00 O ATOM 558 CB PHE A 40 -8.768 9.815 0.720 1.00 0.00 C ATOM 559 CG PHE A 40 -9.557 8.913 -0.185 1.00 0.00 C ATOM 560 CD1 PHE A 40 -9.355 7.541 -0.164 1.00 0.00 C ATOM 561 CD2 PHE A 40 -10.500 9.434 -1.056 1.00 0.00 C ATOM 562 CE1 PHE A 40 -10.081 6.708 -0.995 1.00 0.00 C ATOM 563 CE2 PHE A 40 -11.228 8.605 -1.888 1.00 0.00 C ATOM 564 CZ PHE A 40 -11.017 7.240 -1.858 1.00 0.00 C ATOM 0 H PHE A 40 -7.952 11.222 -1.536 1.00 0.00 H new ATOM 0 HA PHE A 40 -6.712 10.370 1.014 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.661 9.337 1.694 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.327 10.738 0.878 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -8.623 7.119 0.509 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -10.668 10.500 -1.085 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -9.916 5.641 -0.969 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -11.961 9.024 -2.561 1.00 0.00 H new ATOM 0 HZ PHE A 40 -11.584 6.591 -2.509 1.00 0.00 H new ATOM 574 N LEU A 41 -6.175 8.056 0.112 1.00 0.00 N ATOM 575 CA LEU A 41 -5.590 6.874 -0.512 1.00 0.00 C ATOM 576 C LEU A 41 -5.842 5.630 0.337 1.00 0.00 C ATOM 577 O LEU A 41 -6.196 5.727 1.510 1.00 0.00 O ATOM 578 CB LEU A 41 -4.086 7.071 -0.714 1.00 0.00 C ATOM 579 CG LEU A 41 -3.207 6.828 0.514 1.00 0.00 C ATOM 580 CD1 LEU A 41 -2.790 5.366 0.590 1.00 0.00 C ATOM 581 CD2 LEU A 41 -1.983 7.730 0.480 1.00 0.00 C ATOM 0 H LEU A 41 -6.046 8.107 1.123 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.065 6.732 -1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.756 6.404 -1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.917 8.090 -1.062 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.787 7.068 1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.165 5.211 1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.678 4.738 0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.228 5.101 -0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.369 7.544 1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.402 7.521 -0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.300 8.773 0.472 1.00 0.00 H new ATOM 593 N VAL A 42 -5.654 4.461 -0.269 1.00 0.00 N ATOM 594 CA VAL A 42 -5.858 3.198 0.430 1.00 0.00 C ATOM 595 C VAL A 42 -4.682 2.253 0.211 1.00 0.00 C ATOM 596 O VAL A 42 -4.455 1.776 -0.902 1.00 0.00 O ATOM 597 CB VAL A 42 -7.153 2.504 -0.031 1.00 0.00 C ATOM 598 CG1 VAL A 42 -7.302 1.148 0.644 1.00 0.00 C ATOM 599 CG2 VAL A 42 -8.360 3.385 0.253 1.00 0.00 C ATOM 0 H VAL A 42 -5.361 4.363 -1.241 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.939 3.433 1.491 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.095 2.343 -1.107 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.223 0.673 0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.452 0.517 0.385 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.338 1.282 1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.266 2.879 -0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.425 3.579 1.324 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.255 4.329 -0.282 1.00 0.00 H new ATOM 609 N ARG A 43 -3.938 1.985 1.279 1.00 0.00 N ATOM 610 CA ARG A 43 -2.784 1.097 1.203 1.00 0.00 C ATOM 611 C ARG A 43 -3.060 -0.217 1.930 1.00 0.00 C ATOM 612 O ARG A 43 -4.122 -0.396 2.525 1.00 0.00 O ATOM 613 CB ARG A 43 -1.551 1.774 1.804 1.00 0.00 C ATOM 614 CG ARG A 43 -1.752 2.246 3.235 1.00 0.00 C ATOM 615 CD ARG A 43 -0.579 3.087 3.713 1.00 0.00 C ATOM 616 NE ARG A 43 -0.573 3.241 5.165 1.00 0.00 N ATOM 617 CZ ARG A 43 -0.249 2.265 6.006 1.00 0.00 C ATOM 618 NH1 ARG A 43 0.091 1.071 5.542 1.00 0.00 N ATOM 619 NH2 ARG A 43 -0.268 2.482 7.315 1.00 0.00 N ATOM 0 H ARG A 43 -4.114 2.370 2.207 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.594 0.879 0.152 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.714 1.077 1.775 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.277 2.628 1.184 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.670 2.829 3.301 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.874 1.384 3.890 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.354 2.623 3.394 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.623 4.070 3.244 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.832 4.147 5.555 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.104 0.899 4.537 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.339 0.324 6.190 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.532 3.399 7.676 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.019 1.732 7.960 1.00 0.00 H new ATOM 633 N GLU A 44 -2.097 -1.131 1.875 1.00 0.00 N ATOM 634 CA GLU A 44 -2.238 -2.428 2.527 1.00 0.00 C ATOM 635 C GLU A 44 -1.212 -2.589 3.645 1.00 0.00 C ATOM 636 O GLU A 44 -0.021 -2.343 3.450 1.00 0.00 O ATOM 637 CB GLU A 44 -2.078 -3.557 1.507 1.00 0.00 C ATOM 638 CG GLU A 44 -1.951 -4.933 2.137 1.00 0.00 C ATOM 639 CD GLU A 44 -1.947 -6.047 1.109 1.00 0.00 C ATOM 640 OE1 GLU A 44 -2.934 -6.159 0.352 1.00 0.00 O ATOM 641 OE2 GLU A 44 -0.958 -6.809 1.061 1.00 0.00 O ATOM 0 H GLU A 44 -1.212 -0.998 1.386 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.236 -2.480 2.962 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.936 -3.552 0.835 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.195 -3.363 0.898 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.031 -4.978 2.720 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.776 -5.088 2.832 1.00 0.00 H new ATOM 649 N SER A 45 -1.683 -3.004 4.817 1.00 0.00 N ATOM 650 CA SER A 45 -0.806 -3.195 5.967 1.00 0.00 C ATOM 651 C SER A 45 0.094 -4.411 5.770 1.00 0.00 C ATOM 652 O SER A 45 -0.385 -5.518 5.532 1.00 0.00 O ATOM 653 CB SER A 45 -1.634 -3.362 7.243 1.00 0.00 C ATOM 654 OG SER A 45 -2.425 -2.211 7.492 1.00 0.00 O ATOM 0 H SER A 45 -2.665 -3.214 4.995 1.00 0.00 H new ATOM 0 HA SER A 45 -0.176 -2.311 6.062 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.278 -4.237 7.151 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.971 -3.542 8.089 1.00 0.00 H new ATOM 0 HG SER A 45 -2.946 -2.343 8.312 1.00 0.00 H new ATOM 660 N GLU A 46 1.402 -4.193 5.870 1.00 0.00 N ATOM 661 CA GLU A 46 2.369 -5.270 5.702 1.00 0.00 C ATOM 662 C GLU A 46 2.323 -6.234 6.884 1.00 0.00 C ATOM 663 O GLU A 46 2.118 -7.436 6.711 1.00 0.00 O ATOM 664 CB GLU A 46 3.782 -4.699 5.551 1.00 0.00 C ATOM 665 CG GLU A 46 4.086 -4.190 4.152 1.00 0.00 C ATOM 666 CD GLU A 46 4.553 -5.291 3.221 1.00 0.00 C ATOM 667 OE1 GLU A 46 5.768 -5.350 2.936 1.00 0.00 O ATOM 668 OE2 GLU A 46 3.705 -6.092 2.776 1.00 0.00 O ATOM 0 H GLU A 46 1.815 -3.281 6.066 1.00 0.00 H new ATOM 0 HA GLU A 46 2.107 -5.819 4.797 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.913 -3.883 6.262 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.506 -5.470 5.814 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.193 -3.723 3.737 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.853 -3.417 4.209 1.00 0.00 H new ATOM 676 N SER A 47 2.514 -5.698 8.084 1.00 0.00 N ATOM 677 CA SER A 47 2.497 -6.510 9.296 1.00 0.00 C ATOM 678 C SER A 47 1.117 -7.116 9.526 1.00 0.00 C ATOM 679 O SER A 47 0.992 -8.237 10.017 1.00 0.00 O ATOM 680 CB SER A 47 2.905 -5.667 10.506 1.00 0.00 C ATOM 681 OG SER A 47 4.121 -4.982 10.264 1.00 0.00 O ATOM 0 H SER A 47 2.682 -4.705 8.244 1.00 0.00 H new ATOM 0 HA SER A 47 3.213 -7.322 9.169 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.118 -4.948 10.734 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.013 -6.309 11.380 1.00 0.00 H new ATOM 0 HG SER A 47 4.359 -4.449 11.052 1.00 0.00 H new ATOM 687 N SER A 48 0.080 -6.365 9.165 1.00 0.00 N ATOM 688 CA SER A 48 -1.293 -6.825 9.335 1.00 0.00 C ATOM 689 C SER A 48 -1.834 -7.412 8.034 1.00 0.00 C ATOM 690 O SER A 48 -2.201 -6.693 7.104 1.00 0.00 O ATOM 691 CB SER A 48 -2.185 -5.672 9.798 1.00 0.00 C ATOM 692 OG SER A 48 -1.676 -5.075 10.977 1.00 0.00 O ATOM 0 H SER A 48 0.165 -5.436 8.753 1.00 0.00 H new ATOM 0 HA SER A 48 -1.298 -7.606 10.095 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.256 -4.923 9.009 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.195 -6.040 9.980 1.00 0.00 H new ATOM 0 HG SER A 48 -2.263 -4.340 11.251 1.00 0.00 H new ATOM 698 N PRO A 49 -1.885 -8.749 7.965 1.00 0.00 N ATOM 699 CA PRO A 49 -2.380 -9.464 6.785 1.00 0.00 C ATOM 700 C PRO A 49 -3.884 -9.298 6.596 1.00 0.00 C ATOM 701 O PRO A 49 -4.626 -9.130 7.562 1.00 0.00 O ATOM 702 CB PRO A 49 -2.036 -10.925 7.084 1.00 0.00 C ATOM 703 CG PRO A 49 -1.978 -11.005 8.571 1.00 0.00 C ATOM 704 CD PRO A 49 -1.465 -9.670 9.036 1.00 0.00 C ATOM 0 HA PRO A 49 -1.935 -9.088 5.864 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -2.791 -11.600 6.681 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.084 -11.207 6.635 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.963 -11.212 8.990 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.318 -11.811 8.893 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.893 -9.389 9.998 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.382 -9.676 9.158 1.00 0.00 H new ATOM 712 N GLY A 50 -4.328 -9.349 5.344 1.00 0.00 N ATOM 713 CA GLY A 50 -5.742 -9.204 5.051 1.00 0.00 C ATOM 714 C GLY A 50 -6.337 -7.955 5.671 1.00 0.00 C ATOM 715 O GLY A 50 -7.547 -7.872 5.872 1.00 0.00 O ATOM 0 H GLY A 50 -3.733 -9.488 4.527 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.885 -9.173 3.971 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.278 -10.079 5.419 1.00 0.00 H new ATOM 719 N GLN A 51 -5.482 -6.983 5.976 1.00 0.00 N ATOM 720 CA GLN A 51 -5.932 -5.733 6.579 1.00 0.00 C ATOM 721 C GLN A 51 -5.579 -4.543 5.693 1.00 0.00 C ATOM 722 O GLN A 51 -4.479 -4.470 5.142 1.00 0.00 O ATOM 723 CB GLN A 51 -5.305 -5.558 7.964 1.00 0.00 C ATOM 724 CG GLN A 51 -6.118 -6.185 9.084 1.00 0.00 C ATOM 725 CD GLN A 51 -7.146 -5.233 9.663 1.00 0.00 C ATOM 726 OE1 GLN A 51 -7.124 -4.033 9.386 1.00 0.00 O ATOM 727 NE2 GLN A 51 -8.054 -5.765 10.474 1.00 0.00 N ATOM 0 H GLN A 51 -4.476 -7.037 5.816 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.016 -5.776 6.681 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.308 -5.998 7.960 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.183 -4.494 8.167 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.624 -7.074 8.707 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -5.445 -6.513 9.876 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -8.034 -6.765 10.676 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -8.771 -5.174 10.895 1.00 0.00 H new ATOM 736 N LEU A 52 -6.518 -3.613 5.559 1.00 0.00 N ATOM 737 CA LEU A 52 -6.306 -2.425 4.739 1.00 0.00 C ATOM 738 C LEU A 52 -6.371 -1.159 5.587 1.00 0.00 C ATOM 739 O LEU A 52 -6.807 -1.194 6.739 1.00 0.00 O ATOM 740 CB LEU A 52 -7.350 -2.360 3.623 1.00 0.00 C ATOM 741 CG LEU A 52 -7.151 -3.332 2.460 1.00 0.00 C ATOM 742 CD1 LEU A 52 -8.468 -3.576 1.737 1.00 0.00 C ATOM 743 CD2 LEU A 52 -6.102 -2.801 1.495 1.00 0.00 C ATOM 0 H LEU A 52 -7.433 -3.658 6.007 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.312 -2.492 4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.332 -2.544 4.060 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.364 -1.346 3.224 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.799 -4.282 2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.307 -4.270 0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.192 -4.001 2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.850 -2.632 1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.973 -3.506 0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.425 -1.838 1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.154 -2.678 2.019 1.00 0.00 H new ATOM 755 N SER A 53 -5.940 -0.043 5.010 1.00 0.00 N ATOM 756 CA SER A 53 -5.946 1.235 5.714 1.00 0.00 C ATOM 757 C SER A 53 -6.223 2.384 4.749 1.00 0.00 C ATOM 758 O SER A 53 -5.719 2.402 3.626 1.00 0.00 O ATOM 759 CB SER A 53 -4.610 1.458 6.422 1.00 0.00 C ATOM 760 OG SER A 53 -4.326 0.401 7.321 1.00 0.00 O ATOM 0 H SER A 53 -5.582 0.003 4.056 1.00 0.00 H new ATOM 0 HA SER A 53 -6.742 1.209 6.458 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.812 1.535 5.683 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.636 2.403 6.964 1.00 0.00 H new ATOM 0 HG SER A 53 -3.465 0.567 7.760 1.00 0.00 H new ATOM 766 N ILE A 54 -7.027 3.343 5.196 1.00 0.00 N ATOM 767 CA ILE A 54 -7.369 4.497 4.374 1.00 0.00 C ATOM 768 C ILE A 54 -6.682 5.759 4.884 1.00 0.00 C ATOM 769 O ILE A 54 -7.236 6.494 5.701 1.00 0.00 O ATOM 770 CB ILE A 54 -8.891 4.733 4.341 1.00 0.00 C ATOM 771 CG1 ILE A 54 -9.608 3.505 3.776 1.00 0.00 C ATOM 772 CG2 ILE A 54 -9.218 5.969 3.517 1.00 0.00 C ATOM 773 CD1 ILE A 54 -11.098 3.503 4.037 1.00 0.00 C ATOM 0 H ILE A 54 -7.454 3.344 6.123 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.021 4.279 3.364 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.240 4.897 5.361 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.435 3.456 2.701 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.170 2.606 4.210 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -10.297 6.122 3.503 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.733 6.840 3.959 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.858 5.832 2.497 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.541 2.604 3.609 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.279 3.521 5.112 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.549 4.383 3.579 1.00 0.00 H new ATOM 785 N SER A 55 -5.470 6.004 4.395 1.00 0.00 N ATOM 786 CA SER A 55 -4.704 7.176 4.802 1.00 0.00 C ATOM 787 C SER A 55 -5.102 8.398 3.977 1.00 0.00 C ATOM 788 O SER A 55 -4.717 8.527 2.814 1.00 0.00 O ATOM 789 CB SER A 55 -3.205 6.910 4.650 1.00 0.00 C ATOM 790 OG SER A 55 -2.459 7.647 5.603 1.00 0.00 O ATOM 0 H SER A 55 -4.998 5.406 3.717 1.00 0.00 H new ATOM 0 HA SER A 55 -4.925 7.378 5.850 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.007 5.845 4.772 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.884 7.180 3.644 1.00 0.00 H new ATOM 0 HG SER A 55 -1.504 7.459 5.487 1.00 0.00 H new ATOM 796 N LEU A 56 -5.873 9.290 4.589 1.00 0.00 N ATOM 797 CA LEU A 56 -6.323 10.502 3.912 1.00 0.00 C ATOM 798 C LEU A 56 -5.730 11.744 4.570 1.00 0.00 C ATOM 799 O LEU A 56 -5.884 11.955 5.773 1.00 0.00 O ATOM 800 CB LEU A 56 -7.851 10.582 3.929 1.00 0.00 C ATOM 801 CG LEU A 56 -8.471 11.336 5.106 1.00 0.00 C ATOM 802 CD1 LEU A 56 -8.295 12.837 4.931 1.00 0.00 C ATOM 803 CD2 LEU A 56 -9.943 10.983 5.251 1.00 0.00 C ATOM 0 H LEU A 56 -6.199 9.198 5.551 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.979 10.461 2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.180 11.057 3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.248 9.567 3.924 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.955 11.034 6.017 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.742 13.357 5.778 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.233 13.075 4.879 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.784 13.156 4.010 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.367 11.529 6.094 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.474 11.255 4.339 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.045 9.912 5.425 1.00 0.00 H new ATOM 815 N ARG A 57 -5.055 12.565 3.772 1.00 0.00 N ATOM 816 CA ARG A 57 -4.440 13.787 4.276 1.00 0.00 C ATOM 817 C ARG A 57 -5.492 14.867 4.512 1.00 0.00 C ATOM 818 O ARG A 57 -6.285 15.180 3.625 1.00 0.00 O ATOM 819 CB ARG A 57 -3.384 14.295 3.292 1.00 0.00 C ATOM 820 CG ARG A 57 -2.913 15.711 3.583 1.00 0.00 C ATOM 821 CD ARG A 57 -1.923 15.740 4.739 1.00 0.00 C ATOM 822 NE ARG A 57 -0.970 16.840 4.615 1.00 0.00 N ATOM 823 CZ ARG A 57 -1.312 18.121 4.692 1.00 0.00 C ATOM 824 NH1 ARG A 57 -2.576 18.463 4.893 1.00 0.00 N ATOM 825 NH2 ARG A 57 -0.385 19.064 4.569 1.00 0.00 N ATOM 0 H ARG A 57 -4.920 12.406 2.774 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.960 13.557 5.227 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.526 13.624 3.314 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.792 14.257 2.282 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.447 16.131 2.692 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -3.771 16.340 3.821 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.466 15.835 5.679 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.382 14.794 4.777 1.00 0.00 H new ATOM 0 HE ARG A 57 0.012 16.612 4.461 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.290 17.741 4.989 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.835 19.448 4.952 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.589 18.804 4.415 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.647 20.048 4.628 1.00 0.00 H new ATOM 839 N TYR A 58 -5.491 15.431 5.715 1.00 0.00 N ATOM 840 CA TYR A 58 -6.448 16.473 6.070 1.00 0.00 C ATOM 841 C TYR A 58 -6.005 17.214 7.328 1.00 0.00 C ATOM 842 O TYR A 58 -5.570 16.599 8.302 1.00 0.00 O ATOM 843 CB TYR A 58 -7.837 15.870 6.282 1.00 0.00 C ATOM 844 CG TYR A 58 -8.936 16.903 6.391 1.00 0.00 C ATOM 845 CD1 TYR A 58 -9.275 17.459 7.619 1.00 0.00 C ATOM 846 CD2 TYR A 58 -9.634 17.325 5.267 1.00 0.00 C ATOM 847 CE1 TYR A 58 -10.278 18.402 7.724 1.00 0.00 C ATOM 848 CE2 TYR A 58 -10.639 18.270 5.361 1.00 0.00 C ATOM 849 CZ TYR A 58 -10.957 18.804 6.592 1.00 0.00 C ATOM 850 OH TYR A 58 -11.956 19.745 6.693 1.00 0.00 O ATOM 0 H TYR A 58 -4.839 15.185 6.460 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.491 17.186 5.247 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.062 15.198 5.454 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.827 15.266 7.189 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.744 17.148 8.507 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.387 16.907 4.302 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.530 18.823 8.686 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -11.171 18.588 4.477 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.333 19.918 5.805 1.00 0.00 H new ATOM 860 N GLU A 59 -6.120 18.538 7.300 1.00 0.00 N ATOM 861 CA GLU A 59 -5.731 19.362 8.438 1.00 0.00 C ATOM 862 C GLU A 59 -4.242 19.215 8.733 1.00 0.00 C ATOM 863 O GLU A 59 -3.807 19.347 9.877 1.00 0.00 O ATOM 864 CB GLU A 59 -6.547 18.982 9.674 1.00 0.00 C ATOM 865 CG GLU A 59 -7.938 19.593 9.699 1.00 0.00 C ATOM 866 CD GLU A 59 -7.928 21.045 10.139 1.00 0.00 C ATOM 867 OE1 GLU A 59 -8.746 21.404 11.012 1.00 0.00 O ATOM 868 OE2 GLU A 59 -7.105 21.820 9.611 1.00 0.00 O ATOM 0 H GLU A 59 -6.479 19.062 6.502 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.932 20.403 8.185 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.636 17.897 9.720 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.006 19.296 10.566 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.381 19.521 8.706 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.572 19.017 10.373 1.00 0.00 H new ATOM 876 N GLY A 60 -3.461 18.939 7.692 1.00 0.00 N ATOM 877 CA GLY A 60 -2.028 18.777 7.860 1.00 0.00 C ATOM 878 C GLY A 60 -1.644 17.355 8.218 1.00 0.00 C ATOM 879 O GLY A 60 -1.135 16.612 7.380 1.00 0.00 O ATOM 0 H GLY A 60 -3.795 18.825 6.735 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.522 19.066 6.939 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.678 19.452 8.641 1.00 0.00 H new ATOM 883 N ARG A 61 -1.888 16.976 9.469 1.00 0.00 N ATOM 884 CA ARG A 61 -1.560 15.634 9.937 1.00 0.00 C ATOM 885 C ARG A 61 -2.265 14.576 9.092 1.00 0.00 C ATOM 886 O ARG A 61 -3.398 14.772 8.650 1.00 0.00 O ATOM 887 CB ARG A 61 -1.954 15.474 11.407 1.00 0.00 C ATOM 888 CG ARG A 61 -1.198 16.401 12.343 1.00 0.00 C ATOM 889 CD ARG A 61 -1.612 16.189 13.792 1.00 0.00 C ATOM 890 NE ARG A 61 -1.198 17.297 14.648 1.00 0.00 N ATOM 891 CZ ARG A 61 0.031 17.432 15.131 1.00 0.00 C ATOM 892 NH1 ARG A 61 0.963 16.535 14.844 1.00 0.00 N ATOM 893 NH2 ARG A 61 0.331 18.470 15.904 1.00 0.00 N ATOM 0 H ARG A 61 -2.311 17.578 10.175 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.483 15.494 9.839 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.023 15.660 11.510 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.779 14.442 11.711 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.127 16.229 12.241 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.383 17.437 12.058 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.695 16.074 13.846 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.174 15.262 14.162 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.891 18.006 14.888 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.737 15.737 14.250 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.906 16.642 15.217 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.383 19.163 16.126 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.275 18.573 16.275 1.00 0.00 H new ATOM 907 N VAL A 62 -1.587 13.455 8.872 1.00 0.00 N ATOM 908 CA VAL A 62 -2.149 12.366 8.081 1.00 0.00 C ATOM 909 C VAL A 62 -3.037 11.466 8.935 1.00 0.00 C ATOM 910 O VAL A 62 -2.610 10.959 9.971 1.00 0.00 O ATOM 911 CB VAL A 62 -1.041 11.510 7.438 1.00 0.00 C ATOM 912 CG1 VAL A 62 -1.645 10.390 6.606 1.00 0.00 C ATOM 913 CG2 VAL A 62 -0.122 12.378 6.591 1.00 0.00 C ATOM 0 H VAL A 62 -0.649 13.276 9.230 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.749 12.824 7.295 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.447 11.059 8.233 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.847 9.797 6.160 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.258 9.753 7.244 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.264 10.816 5.817 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.655 11.757 6.144 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.701 12.859 5.802 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.339 13.140 7.219 1.00 0.00 H new ATOM 923 N TYR A 63 -4.274 11.276 8.493 1.00 0.00 N ATOM 924 CA TYR A 63 -5.225 10.441 9.216 1.00 0.00 C ATOM 925 C TYR A 63 -5.343 9.064 8.569 1.00 0.00 C ATOM 926 O TYR A 63 -5.272 8.931 7.347 1.00 0.00 O ATOM 927 CB TYR A 63 -6.596 11.114 9.263 1.00 0.00 C ATOM 928 CG TYR A 63 -6.567 12.510 9.844 1.00 0.00 C ATOM 929 CD1 TYR A 63 -5.989 12.754 11.084 1.00 0.00 C ATOM 930 CD2 TYR A 63 -7.115 13.583 9.154 1.00 0.00 C ATOM 931 CE1 TYR A 63 -5.960 14.027 11.620 1.00 0.00 C ATOM 932 CE2 TYR A 63 -7.089 14.860 9.681 1.00 0.00 C ATOM 933 CZ TYR A 63 -6.511 15.076 10.915 1.00 0.00 C ATOM 934 OH TYR A 63 -6.484 16.347 11.444 1.00 0.00 O ATOM 0 H TYR A 63 -4.642 11.689 7.636 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.856 10.314 10.234 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.004 11.158 8.253 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.274 10.498 9.854 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.555 11.935 11.638 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.570 13.417 8.189 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -5.508 14.199 12.586 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.518 15.684 9.130 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.693 16.447 12.014 1.00 0.00 H new ATOM 944 N HIS A 64 -5.524 8.041 9.398 1.00 0.00 N ATOM 945 CA HIS A 64 -5.655 6.673 8.908 1.00 0.00 C ATOM 946 C HIS A 64 -6.947 6.037 9.409 1.00 0.00 C ATOM 947 O HIS A 64 -7.678 6.634 10.202 1.00 0.00 O ATOM 948 CB HIS A 64 -4.455 5.834 9.349 1.00 0.00 C ATOM 949 CG HIS A 64 -4.326 5.711 10.837 1.00 0.00 C ATOM 950 ND1 HIS A 64 -3.140 5.920 11.509 1.00 0.00 N ATOM 951 CD2 HIS A 64 -5.244 5.398 11.782 1.00 0.00 C ATOM 952 CE1 HIS A 64 -3.333 5.740 12.805 1.00 0.00 C ATOM 953 NE2 HIS A 64 -4.602 5.423 12.996 1.00 0.00 N ATOM 0 H HIS A 64 -5.583 8.133 10.412 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.686 6.705 7.819 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -4.540 4.837 8.916 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -3.544 6.279 8.949 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -6.286 5.171 11.613 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -2.582 5.836 13.575 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -5.035 5.228 13.899 1.00 0.00 H new ATOM 962 N TYR A 65 -7.225 4.824 8.942 1.00 0.00 N ATOM 963 CA TYR A 65 -8.431 4.110 9.341 1.00 0.00 C ATOM 964 C TYR A 65 -8.294 2.615 9.066 1.00 0.00 C ATOM 965 O TYR A 65 -8.367 2.173 7.919 1.00 0.00 O ATOM 966 CB TYR A 65 -9.647 4.665 8.597 1.00 0.00 C ATOM 967 CG TYR A 65 -9.902 6.132 8.866 1.00 0.00 C ATOM 968 CD1 TYR A 65 -10.605 6.540 9.993 1.00 0.00 C ATOM 969 CD2 TYR A 65 -9.442 7.109 7.992 1.00 0.00 C ATOM 970 CE1 TYR A 65 -10.840 7.879 10.241 1.00 0.00 C ATOM 971 CE2 TYR A 65 -9.670 8.449 8.233 1.00 0.00 C ATOM 972 CZ TYR A 65 -10.370 8.829 9.358 1.00 0.00 C ATOM 973 OH TYR A 65 -10.602 10.164 9.601 1.00 0.00 O ATOM 0 H TYR A 65 -6.631 4.316 8.287 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.571 4.254 10.412 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.505 4.520 7.526 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.530 4.093 8.882 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -10.974 5.799 10.686 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.896 6.815 7.108 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -11.389 8.180 11.121 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -9.302 9.195 7.544 1.00 0.00 H new ATOM 0 HH TYR A 65 -10.199 10.415 10.458 1.00 0.00 H new ATOM 983 N ARG A 66 -8.094 1.842 10.129 1.00 0.00 N ATOM 984 CA ARG A 66 -7.947 0.397 10.005 1.00 0.00 C ATOM 985 C ARG A 66 -9.300 -0.271 9.780 1.00 0.00 C ATOM 986 O ARG A 66 -10.018 -0.579 10.732 1.00 0.00 O ATOM 987 CB ARG A 66 -7.283 -0.179 11.257 1.00 0.00 C ATOM 988 CG ARG A 66 -6.733 -1.582 11.064 1.00 0.00 C ATOM 989 CD ARG A 66 -5.420 -1.565 10.298 1.00 0.00 C ATOM 990 NE ARG A 66 -4.327 -1.016 11.095 1.00 0.00 N ATOM 991 CZ ARG A 66 -3.787 -1.645 12.135 1.00 0.00 C ATOM 992 NH1 ARG A 66 -4.236 -2.838 12.497 1.00 0.00 N ATOM 993 NH2 ARG A 66 -2.795 -1.080 12.811 1.00 0.00 N ATOM 0 H ARG A 66 -8.030 2.192 11.085 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.314 0.195 9.141 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.472 0.481 11.564 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.009 -0.191 12.070 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.582 -2.052 12.036 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.461 -2.189 10.526 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.168 -2.579 9.988 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.538 -0.974 9.390 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.957 -0.100 10.840 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.997 -3.276 11.978 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.820 -3.319 13.295 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -2.446 -0.163 12.533 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.381 -1.563 13.609 1.00 0.00 H new ATOM 1007 N ILE A 67 -9.641 -0.493 8.515 1.00 0.00 N ATOM 1008 CA ILE A 67 -10.908 -1.125 8.165 1.00 0.00 C ATOM 1009 C ILE A 67 -11.191 -2.323 9.065 1.00 0.00 C ATOM 1010 O ILE A 67 -10.287 -3.086 9.402 1.00 0.00 O ATOM 1011 CB ILE A 67 -10.920 -1.587 6.696 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -10.962 -0.379 5.759 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -12.106 -2.505 6.439 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -9.607 0.255 5.529 1.00 0.00 C ATOM 0 H ILE A 67 -9.058 -0.245 7.716 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.685 -0.374 8.307 1.00 0.00 H new ATOM 0 HB ILE A 67 -10.004 -2.145 6.499 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.377 -0.688 4.800 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -11.638 0.369 6.173 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -12.101 -2.823 5.396 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -12.036 -3.380 7.086 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -13.032 -1.971 6.651 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.713 1.105 4.855 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.198 0.595 6.481 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.933 -0.478 5.086 1.00 0.00 H new ATOM 1026 N ASN A 68 -12.453 -2.483 9.450 1.00 0.00 N ATOM 1027 CA ASN A 68 -12.857 -3.588 10.309 1.00 0.00 C ATOM 1028 C ASN A 68 -13.433 -4.736 9.486 1.00 0.00 C ATOM 1029 O ASN A 68 -13.471 -4.677 8.257 1.00 0.00 O ATOM 1030 CB ASN A 68 -13.887 -3.114 11.337 1.00 0.00 C ATOM 1031 CG ASN A 68 -13.353 -2.007 12.224 1.00 0.00 C ATOM 1032 OD1 ASN A 68 -12.283 -2.136 12.819 1.00 0.00 O ATOM 1033 ND2 ASN A 68 -14.096 -0.911 12.314 1.00 0.00 N ATOM 0 H ASN A 68 -13.214 -1.860 9.180 1.00 0.00 H new ATOM 0 HA ASN A 68 -11.972 -3.949 10.833 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -14.778 -2.761 10.818 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.192 -3.957 11.957 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.787 -0.131 12.894 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.976 -0.848 11.803 1.00 0.00 H new ATOM 1040 N THR A 69 -13.885 -5.782 10.171 1.00 0.00 N ATOM 1041 CA THR A 69 -14.459 -6.943 9.505 1.00 0.00 C ATOM 1042 C THR A 69 -15.373 -7.721 10.445 1.00 0.00 C ATOM 1043 O THR A 69 -15.061 -7.903 11.622 1.00 0.00 O ATOM 1044 CB THR A 69 -13.363 -7.888 8.977 1.00 0.00 C ATOM 1045 OG1 THR A 69 -12.405 -7.147 8.211 1.00 0.00 O ATOM 1046 CG2 THR A 69 -13.965 -8.988 8.117 1.00 0.00 C ATOM 0 H THR A 69 -13.864 -5.848 11.189 1.00 0.00 H new ATOM 0 HA THR A 69 -15.041 -6.567 8.664 1.00 0.00 H new ATOM 0 HB THR A 69 -12.867 -8.348 9.832 1.00 0.00 H new ATOM 0 HG1 THR A 69 -12.813 -6.314 7.895 1.00 0.00 H new ATOM 0 HG21 THR A 69 -13.172 -9.643 7.756 1.00 0.00 H new ATOM 0 HG22 THR A 69 -14.672 -9.568 8.710 1.00 0.00 H new ATOM 0 HG23 THR A 69 -14.483 -8.543 7.268 1.00 0.00 H new ATOM 1054 N THR A 70 -16.506 -8.179 9.919 1.00 0.00 N ATOM 1055 CA THR A 70 -17.465 -8.937 10.710 1.00 0.00 C ATOM 1056 C THR A 70 -17.336 -10.432 10.448 1.00 0.00 C ATOM 1057 O THR A 70 -16.566 -10.857 9.588 1.00 0.00 O ATOM 1058 CB THR A 70 -18.911 -8.497 10.411 1.00 0.00 C ATOM 1059 OG1 THR A 70 -19.207 -8.699 9.024 1.00 0.00 O ATOM 1060 CG2 THR A 70 -19.118 -7.034 10.771 1.00 0.00 C ATOM 0 H THR A 70 -16.781 -8.037 8.947 1.00 0.00 H new ATOM 0 HA THR A 70 -17.240 -8.735 11.757 1.00 0.00 H new ATOM 0 HB THR A 70 -19.584 -9.102 11.018 1.00 0.00 H new ATOM 0 HG1 THR A 70 -20.128 -8.419 8.842 1.00 0.00 H new ATOM 0 HG21 THR A 70 -20.146 -6.747 10.551 1.00 0.00 H new ATOM 0 HG22 THR A 70 -18.920 -6.889 11.833 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.436 -6.416 10.187 1.00 0.00 H new ATOM 1068 N ALA A 71 -18.095 -11.228 11.196 1.00 0.00 N ATOM 1069 CA ALA A 71 -18.066 -12.675 11.041 1.00 0.00 C ATOM 1070 C ALA A 71 -18.089 -13.072 9.569 1.00 0.00 C ATOM 1071 O ALA A 71 -17.262 -13.864 9.117 1.00 0.00 O ATOM 1072 CB ALA A 71 -19.239 -13.309 11.778 1.00 0.00 C ATOM 0 H ALA A 71 -18.737 -10.893 11.915 1.00 0.00 H new ATOM 0 HA ALA A 71 -17.136 -13.042 11.475 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -19.205 -14.391 11.654 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -19.178 -13.064 12.838 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -20.175 -12.926 11.370 1.00 0.00 H new ATOM 1078 N ASP A 72 -19.040 -12.517 8.828 1.00 0.00 N ATOM 1079 CA ASP A 72 -19.171 -12.812 7.405 1.00 0.00 C ATOM 1080 C ASP A 72 -17.995 -12.237 6.620 1.00 0.00 C ATOM 1081 O ASP A 72 -17.258 -12.969 5.961 1.00 0.00 O ATOM 1082 CB ASP A 72 -20.485 -12.249 6.863 1.00 0.00 C ATOM 1083 CG ASP A 72 -21.680 -13.101 7.242 1.00 0.00 C ATOM 1084 OD1 ASP A 72 -22.244 -12.881 8.335 1.00 0.00 O ATOM 1085 OD2 ASP A 72 -22.053 -13.987 6.445 1.00 0.00 O ATOM 0 H ASP A 72 -19.732 -11.860 9.188 1.00 0.00 H new ATOM 0 HA ASP A 72 -19.172 -13.895 7.283 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -20.628 -11.238 7.244 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -20.425 -12.175 5.777 1.00 0.00 H new ATOM 1091 N GLY A 73 -17.826 -10.921 6.697 1.00 0.00 N ATOM 1092 CA GLY A 73 -16.739 -10.270 5.988 1.00 0.00 C ATOM 1093 C GLY A 73 -17.135 -8.914 5.438 1.00 0.00 C ATOM 1094 O GLY A 73 -16.825 -8.585 4.294 1.00 0.00 O ATOM 0 H GLY A 73 -18.422 -10.294 7.237 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -15.890 -10.152 6.661 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -16.410 -10.909 5.169 1.00 0.00 H new ATOM 1098 N LYS A 74 -17.825 -8.125 6.255 1.00 0.00 N ATOM 1099 CA LYS A 74 -18.267 -6.797 5.846 1.00 0.00 C ATOM 1100 C LYS A 74 -17.333 -5.721 6.392 1.00 0.00 C ATOM 1101 O LYS A 74 -17.136 -5.612 7.603 1.00 0.00 O ATOM 1102 CB LYS A 74 -19.695 -6.539 6.328 1.00 0.00 C ATOM 1103 CG LYS A 74 -20.713 -7.513 5.760 1.00 0.00 C ATOM 1104 CD LYS A 74 -22.128 -7.146 6.176 1.00 0.00 C ATOM 1105 CE LYS A 74 -22.763 -6.174 5.194 1.00 0.00 C ATOM 1106 NZ LYS A 74 -24.249 -6.278 5.194 1.00 0.00 N ATOM 0 H LYS A 74 -18.090 -8.383 7.206 1.00 0.00 H new ATOM 0 HA LYS A 74 -18.246 -6.755 4.757 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -19.718 -6.596 7.416 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -19.984 -5.524 6.055 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -20.643 -7.521 4.672 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -20.482 -8.522 6.102 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -22.735 -8.049 6.240 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -22.112 -6.701 7.171 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -22.470 -5.156 5.450 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -22.385 -6.372 4.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -24.644 -5.600 4.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -24.529 -7.243 4.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -24.612 -6.064 6.145 1.00 0.00 H new ATOM 1120 N VAL A 75 -16.760 -4.927 5.492 1.00 0.00 N ATOM 1121 CA VAL A 75 -15.849 -3.859 5.884 1.00 0.00 C ATOM 1122 C VAL A 75 -16.604 -2.556 6.128 1.00 0.00 C ATOM 1123 O VAL A 75 -17.486 -2.183 5.354 1.00 0.00 O ATOM 1124 CB VAL A 75 -14.768 -3.621 4.813 1.00 0.00 C ATOM 1125 CG1 VAL A 75 -13.929 -4.872 4.615 1.00 0.00 C ATOM 1126 CG2 VAL A 75 -15.406 -3.183 3.503 1.00 0.00 C ATOM 0 H VAL A 75 -16.911 -5.004 4.486 1.00 0.00 H new ATOM 0 HA VAL A 75 -15.368 -4.176 6.809 1.00 0.00 H new ATOM 0 HB VAL A 75 -14.110 -2.823 5.155 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -13.171 -4.685 3.855 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -13.444 -5.137 5.554 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -14.570 -5.693 4.294 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.629 -3.019 2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -16.087 -3.959 3.153 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -15.960 -2.257 3.660 1.00 0.00 H new ATOM 1136 N TYR A 76 -16.249 -1.867 7.208 1.00 0.00 N ATOM 1137 CA TYR A 76 -16.894 -0.607 7.555 1.00 0.00 C ATOM 1138 C TYR A 76 -16.180 0.067 8.723 1.00 0.00 C ATOM 1139 O TYR A 76 -16.082 -0.495 9.813 1.00 0.00 O ATOM 1140 CB TYR A 76 -18.364 -0.841 7.910 1.00 0.00 C ATOM 1141 CG TYR A 76 -18.568 -1.439 9.283 1.00 0.00 C ATOM 1142 CD1 TYR A 76 -18.218 -2.757 9.549 1.00 0.00 C ATOM 1143 CD2 TYR A 76 -19.113 -0.685 10.316 1.00 0.00 C ATOM 1144 CE1 TYR A 76 -18.403 -3.306 10.802 1.00 0.00 C ATOM 1145 CE2 TYR A 76 -19.300 -1.227 11.573 1.00 0.00 C ATOM 1146 CZ TYR A 76 -18.943 -2.538 11.810 1.00 0.00 C ATOM 1147 OH TYR A 76 -19.130 -3.081 13.062 1.00 0.00 O ATOM 0 H TYR A 76 -15.519 -2.160 7.857 1.00 0.00 H new ATOM 0 HA TYR A 76 -16.837 0.051 6.688 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -18.898 0.107 7.853 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -18.808 -1.502 7.166 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -17.794 -3.363 8.762 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -19.395 0.341 10.133 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -18.126 -4.333 10.991 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -19.723 -0.628 12.365 1.00 0.00 H new ATOM 0 HH TYR A 76 -19.519 -2.406 13.657 1.00 0.00 H new ATOM 1157 N VAL A 77 -15.683 1.277 8.485 1.00 0.00 N ATOM 1158 CA VAL A 77 -14.979 2.030 9.516 1.00 0.00 C ATOM 1159 C VAL A 77 -15.900 3.045 10.181 1.00 0.00 C ATOM 1160 O VAL A 77 -15.826 4.243 9.905 1.00 0.00 O ATOM 1161 CB VAL A 77 -13.755 2.765 8.937 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -12.750 1.770 8.378 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -14.188 3.757 7.868 1.00 0.00 C ATOM 0 H VAL A 77 -15.755 1.756 7.588 1.00 0.00 H new ATOM 0 HA VAL A 77 -14.642 1.308 10.260 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.271 3.320 9.741 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -11.892 2.307 7.973 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -12.418 1.103 9.173 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -13.218 1.186 7.586 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -13.312 4.268 7.469 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -14.696 3.226 7.063 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -14.867 4.489 8.305 1.00 0.00 H new ATOM 1173 N THR A 78 -16.771 2.560 11.060 1.00 0.00 N ATOM 1174 CA THR A 78 -17.709 3.424 11.766 1.00 0.00 C ATOM 1175 C THR A 78 -18.509 2.641 12.800 1.00 0.00 C ATOM 1176 O THR A 78 -18.450 1.412 12.843 1.00 0.00 O ATOM 1177 CB THR A 78 -18.684 4.109 10.790 1.00 0.00 C ATOM 1178 OG1 THR A 78 -19.786 4.672 11.512 1.00 0.00 O ATOM 1179 CG2 THR A 78 -19.202 3.118 9.758 1.00 0.00 C ATOM 0 H THR A 78 -16.846 1.572 11.300 1.00 0.00 H new ATOM 0 HA THR A 78 -17.117 4.186 12.272 1.00 0.00 H new ATOM 0 HB THR A 78 -18.146 4.903 10.271 1.00 0.00 H new ATOM 0 HG1 THR A 78 -20.400 5.107 10.884 1.00 0.00 H new ATOM 0 HG21 THR A 78 -19.889 3.625 9.080 1.00 0.00 H new ATOM 0 HG22 THR A 78 -18.364 2.713 9.190 1.00 0.00 H new ATOM 0 HG23 THR A 78 -19.725 2.306 10.264 1.00 0.00 H new ATOM 1187 N ALA A 79 -19.256 3.358 13.631 1.00 0.00 N ATOM 1188 CA ALA A 79 -20.071 2.730 14.664 1.00 0.00 C ATOM 1189 C ALA A 79 -21.541 3.105 14.510 1.00 0.00 C ATOM 1190 O ALA A 79 -22.358 2.819 15.382 1.00 0.00 O ATOM 1191 CB ALA A 79 -19.566 3.121 16.045 1.00 0.00 C ATOM 0 H ALA A 79 -19.314 4.376 13.610 1.00 0.00 H new ATOM 0 HA ALA A 79 -19.986 1.649 14.550 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -20.184 2.645 16.807 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -18.532 2.795 16.160 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -19.620 4.204 16.159 1.00 0.00 H new ATOM 1197 N GLU A 80 -21.868 3.747 13.392 1.00 0.00 N ATOM 1198 CA GLU A 80 -23.239 4.163 13.124 1.00 0.00 C ATOM 1199 C GLU A 80 -23.913 3.212 12.140 1.00 0.00 C ATOM 1200 O GLU A 80 -25.067 2.825 12.326 1.00 0.00 O ATOM 1201 CB GLU A 80 -23.266 5.590 12.572 1.00 0.00 C ATOM 1202 CG GLU A 80 -23.172 6.661 13.646 1.00 0.00 C ATOM 1203 CD GLU A 80 -23.772 7.982 13.206 1.00 0.00 C ATOM 1204 OE1 GLU A 80 -23.285 9.036 13.668 1.00 0.00 O ATOM 1205 OE2 GLU A 80 -24.726 7.963 12.402 1.00 0.00 O ATOM 0 H GLU A 80 -21.202 3.990 12.658 1.00 0.00 H new ATOM 0 HA GLU A 80 -23.789 4.136 14.064 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -22.439 5.715 11.873 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -24.187 5.734 12.007 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -23.683 6.315 14.544 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -22.126 6.812 13.913 1.00 0.00 H new ATOM 1213 N SER A 81 -23.185 2.841 11.092 1.00 0.00 N ATOM 1214 CA SER A 81 -23.714 1.940 10.074 1.00 0.00 C ATOM 1215 C SER A 81 -22.632 0.981 9.585 1.00 0.00 C ATOM 1216 O SER A 81 -21.516 0.968 10.104 1.00 0.00 O ATOM 1217 CB SER A 81 -24.274 2.738 8.897 1.00 0.00 C ATOM 1218 OG SER A 81 -25.605 3.154 9.150 1.00 0.00 O ATOM 0 H SER A 81 -22.227 3.150 10.925 1.00 0.00 H new ATOM 0 HA SER A 81 -24.518 1.357 10.522 1.00 0.00 H new ATOM 0 HB2 SER A 81 -23.646 3.610 8.713 1.00 0.00 H new ATOM 0 HB3 SER A 81 -24.246 2.128 7.994 1.00 0.00 H new ATOM 0 HG SER A 81 -25.769 3.157 10.116 1.00 0.00 H new ATOM 1224 N ARG A 82 -22.973 0.178 8.581 1.00 0.00 N ATOM 1225 CA ARG A 82 -22.033 -0.786 8.022 1.00 0.00 C ATOM 1226 C ARG A 82 -22.021 -0.709 6.497 1.00 0.00 C ATOM 1227 O ARG A 82 -22.765 0.067 5.897 1.00 0.00 O ATOM 1228 CB ARG A 82 -22.395 -2.203 8.469 1.00 0.00 C ATOM 1229 CG ARG A 82 -22.170 -2.449 9.951 1.00 0.00 C ATOM 1230 CD ARG A 82 -22.483 -3.889 10.330 1.00 0.00 C ATOM 1231 NE ARG A 82 -23.920 -4.131 10.422 1.00 0.00 N ATOM 1232 CZ ARG A 82 -24.447 -5.267 10.866 1.00 0.00 C ATOM 1233 NH1 ARG A 82 -23.659 -6.258 11.257 1.00 0.00 N ATOM 1234 NH2 ARG A 82 -25.765 -5.412 10.919 1.00 0.00 N ATOM 0 H ARG A 82 -23.892 0.176 8.139 1.00 0.00 H new ATOM 0 HA ARG A 82 -21.037 -0.541 8.390 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -23.442 -2.393 8.232 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -21.804 -2.918 7.897 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -21.135 -2.221 10.206 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -22.798 -1.774 10.533 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -22.049 -4.561 9.590 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -22.014 -4.122 11.286 1.00 0.00 H new ATOM 0 HE ARG A 82 -24.554 -3.387 10.129 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -22.646 -6.150 11.218 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -24.066 -7.129 11.597 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -26.374 -4.651 10.619 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -26.169 -6.284 11.260 1.00 0.00 H new ATOM 1248 N PHE A 83 -21.169 -1.520 5.876 1.00 0.00 N ATOM 1249 CA PHE A 83 -21.057 -1.543 4.423 1.00 0.00 C ATOM 1250 C PHE A 83 -20.747 -2.951 3.924 1.00 0.00 C ATOM 1251 O PHE A 83 -20.132 -3.750 4.630 1.00 0.00 O ATOM 1252 CB PHE A 83 -19.968 -0.573 3.957 1.00 0.00 C ATOM 1253 CG PHE A 83 -20.239 0.856 4.333 1.00 0.00 C ATOM 1254 CD1 PHE A 83 -21.168 1.608 3.629 1.00 0.00 C ATOM 1255 CD2 PHE A 83 -19.567 1.448 5.389 1.00 0.00 C ATOM 1256 CE1 PHE A 83 -21.419 2.922 3.972 1.00 0.00 C ATOM 1257 CE2 PHE A 83 -19.813 2.763 5.737 1.00 0.00 C ATOM 1258 CZ PHE A 83 -20.740 3.500 5.027 1.00 0.00 C ATOM 0 H PHE A 83 -20.547 -2.169 6.357 1.00 0.00 H new ATOM 0 HA PHE A 83 -22.014 -1.230 4.005 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -19.013 -0.878 4.385 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -19.869 -0.643 2.874 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -21.701 1.161 2.803 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -18.842 0.875 5.948 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -22.145 3.497 3.416 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -19.281 3.213 6.562 1.00 0.00 H new ATOM 0 HZ PHE A 83 -20.934 4.528 5.296 1.00 0.00 H new ATOM 1268 N SER A 84 -21.176 -3.249 2.702 1.00 0.00 N ATOM 1269 CA SER A 84 -20.949 -4.562 2.110 1.00 0.00 C ATOM 1270 C SER A 84 -19.457 -4.825 1.931 1.00 0.00 C ATOM 1271 O SER A 84 -18.894 -5.724 2.557 1.00 0.00 O ATOM 1272 CB SER A 84 -21.662 -4.665 0.759 1.00 0.00 C ATOM 1273 OG SER A 84 -20.951 -5.511 -0.128 1.00 0.00 O ATOM 0 H SER A 84 -21.683 -2.598 2.102 1.00 0.00 H new ATOM 0 HA SER A 84 -21.355 -5.314 2.786 1.00 0.00 H new ATOM 0 HB2 SER A 84 -22.671 -5.051 0.905 1.00 0.00 H new ATOM 0 HB3 SER A 84 -21.761 -3.672 0.320 1.00 0.00 H new ATOM 0 HG SER A 84 -21.427 -5.562 -0.983 1.00 0.00 H new ATOM 1279 N THR A 85 -18.822 -4.034 1.073 1.00 0.00 N ATOM 1280 CA THR A 85 -17.396 -4.182 0.809 1.00 0.00 C ATOM 1281 C THR A 85 -16.695 -2.827 0.802 1.00 0.00 C ATOM 1282 O THR A 85 -17.329 -1.788 0.985 1.00 0.00 O ATOM 1283 CB THR A 85 -17.142 -4.886 -0.537 1.00 0.00 C ATOM 1284 OG1 THR A 85 -17.377 -3.975 -1.617 1.00 0.00 O ATOM 1285 CG2 THR A 85 -18.040 -6.104 -0.689 1.00 0.00 C ATOM 0 H THR A 85 -19.272 -3.284 0.549 1.00 0.00 H new ATOM 0 HA THR A 85 -16.988 -4.796 1.612 1.00 0.00 H new ATOM 0 HB THR A 85 -16.103 -5.216 -0.560 1.00 0.00 H new ATOM 0 HG1 THR A 85 -17.212 -4.429 -2.470 1.00 0.00 H new ATOM 0 HG21 THR A 85 -17.842 -6.584 -1.647 1.00 0.00 H new ATOM 0 HG22 THR A 85 -17.838 -6.808 0.118 1.00 0.00 H new ATOM 0 HG23 THR A 85 -19.084 -5.794 -0.647 1.00 0.00 H new ATOM 1293 N LEU A 86 -15.384 -2.847 0.589 1.00 0.00 N ATOM 1294 CA LEU A 86 -14.596 -1.619 0.556 1.00 0.00 C ATOM 1295 C LEU A 86 -15.173 -0.628 -0.450 1.00 0.00 C ATOM 1296 O LEU A 86 -15.502 0.505 -0.100 1.00 0.00 O ATOM 1297 CB LEU A 86 -13.141 -1.933 0.203 1.00 0.00 C ATOM 1298 CG LEU A 86 -12.095 -0.955 0.737 1.00 0.00 C ATOM 1299 CD1 LEU A 86 -12.149 -0.893 2.257 1.00 0.00 C ATOM 1300 CD2 LEU A 86 -10.703 -1.352 0.268 1.00 0.00 C ATOM 0 H LEU A 86 -14.844 -3.699 0.437 1.00 0.00 H new ATOM 0 HA LEU A 86 -14.634 -1.166 1.547 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -12.904 -2.928 0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.052 -1.972 -0.883 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.320 0.037 0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -11.397 -0.192 2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -13.138 -0.560 2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -11.951 -1.883 2.669 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -9.972 -0.644 0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.468 -2.353 0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.670 -1.344 -0.821 1.00 0.00 H new ATOM 1312 N ALA A 87 -15.295 -1.064 -1.700 1.00 0.00 N ATOM 1313 CA ALA A 87 -15.838 -0.217 -2.755 1.00 0.00 C ATOM 1314 C ALA A 87 -16.920 0.709 -2.212 1.00 0.00 C ATOM 1315 O ALA A 87 -16.922 1.908 -2.493 1.00 0.00 O ATOM 1316 CB ALA A 87 -16.387 -1.070 -3.886 1.00 0.00 C ATOM 0 H ALA A 87 -15.025 -1.999 -2.006 1.00 0.00 H new ATOM 0 HA ALA A 87 -15.029 0.402 -3.143 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -16.789 -0.424 -4.667 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -15.587 -1.684 -4.300 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -17.179 -1.714 -3.504 1.00 0.00 H new ATOM 1322 N GLU A 88 -17.841 0.145 -1.435 1.00 0.00 N ATOM 1323 CA GLU A 88 -18.930 0.922 -0.858 1.00 0.00 C ATOM 1324 C GLU A 88 -18.449 1.717 0.353 1.00 0.00 C ATOM 1325 O GLU A 88 -18.858 2.861 0.562 1.00 0.00 O ATOM 1326 CB GLU A 88 -20.083 0.002 -0.452 1.00 0.00 C ATOM 1327 CG GLU A 88 -20.540 -0.929 -1.562 1.00 0.00 C ATOM 1328 CD GLU A 88 -21.592 -0.301 -2.454 1.00 0.00 C ATOM 1329 OE1 GLU A 88 -21.365 -0.230 -3.680 1.00 0.00 O ATOM 1330 OE2 GLU A 88 -22.643 0.119 -1.927 1.00 0.00 O ATOM 0 H GLU A 88 -17.854 -0.846 -1.192 1.00 0.00 H new ATOM 0 HA GLU A 88 -19.283 1.623 -1.615 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -19.775 -0.594 0.407 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -20.927 0.612 -0.131 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -19.680 -1.216 -2.167 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -20.940 -1.843 -1.123 1.00 0.00 H new ATOM 1338 N LEU A 89 -17.580 1.104 1.148 1.00 0.00 N ATOM 1339 CA LEU A 89 -17.042 1.753 2.339 1.00 0.00 C ATOM 1340 C LEU A 89 -16.432 3.108 1.992 1.00 0.00 C ATOM 1341 O LEU A 89 -16.561 4.070 2.749 1.00 0.00 O ATOM 1342 CB LEU A 89 -15.988 0.861 2.998 1.00 0.00 C ATOM 1343 CG LEU A 89 -15.249 1.466 4.192 1.00 0.00 C ATOM 1344 CD1 LEU A 89 -14.698 0.369 5.090 1.00 0.00 C ATOM 1345 CD2 LEU A 89 -14.129 2.381 3.717 1.00 0.00 C ATOM 0 H LEU A 89 -17.232 0.158 0.990 1.00 0.00 H new ATOM 0 HA LEU A 89 -17.863 1.912 3.038 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -16.472 -0.059 3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -15.252 0.584 2.243 1.00 0.00 H new ATOM 0 HG LEU A 89 -15.957 2.060 4.771 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.175 0.818 5.934 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -15.519 -0.247 5.457 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -14.004 -0.252 4.523 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.613 2.803 4.580 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.422 1.809 3.116 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.548 3.187 3.115 1.00 0.00 H new ATOM 1357 N VAL A 90 -15.767 3.175 0.842 1.00 0.00 N ATOM 1358 CA VAL A 90 -15.141 4.413 0.392 1.00 0.00 C ATOM 1359 C VAL A 90 -16.108 5.248 -0.438 1.00 0.00 C ATOM 1360 O VAL A 90 -16.420 6.386 -0.088 1.00 0.00 O ATOM 1361 CB VAL A 90 -13.877 4.130 -0.440 1.00 0.00 C ATOM 1362 CG1 VAL A 90 -13.284 5.429 -0.968 1.00 0.00 C ATOM 1363 CG2 VAL A 90 -12.854 3.367 0.387 1.00 0.00 C ATOM 0 H VAL A 90 -15.648 2.387 0.206 1.00 0.00 H new ATOM 0 HA VAL A 90 -14.861 4.971 1.286 1.00 0.00 H new ATOM 0 HB VAL A 90 -14.156 3.511 -1.293 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.391 5.210 -1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -14.016 5.934 -1.598 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -13.019 6.075 -0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -11.967 3.176 -0.217 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -12.578 3.958 1.260 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -13.283 2.419 0.712 1.00 0.00 H new ATOM 1373 N HIS A 91 -16.577 4.676 -1.543 1.00 0.00 N ATOM 1374 CA HIS A 91 -17.510 5.368 -2.425 1.00 0.00 C ATOM 1375 C HIS A 91 -18.638 6.013 -1.625 1.00 0.00 C ATOM 1376 O HIS A 91 -18.947 7.191 -1.806 1.00 0.00 O ATOM 1377 CB HIS A 91 -18.090 4.396 -3.453 1.00 0.00 C ATOM 1378 CG HIS A 91 -18.627 5.069 -4.679 1.00 0.00 C ATOM 1379 ND1 HIS A 91 -17.965 5.066 -5.889 1.00 0.00 N ATOM 1380 CD2 HIS A 91 -19.768 5.769 -4.877 1.00 0.00 C ATOM 1381 CE1 HIS A 91 -18.676 5.736 -6.778 1.00 0.00 C ATOM 1382 NE2 HIS A 91 -19.775 6.171 -6.189 1.00 0.00 N ATOM 0 H HIS A 91 -16.326 3.736 -1.848 1.00 0.00 H new ATOM 0 HA HIS A 91 -16.963 6.153 -2.947 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -17.316 3.687 -3.747 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -18.889 3.820 -2.986 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -20.531 5.973 -4.140 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -18.405 5.900 -7.810 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -20.510 6.718 -6.637 1.00 0.00 H new ATOM 1391 N HIS A 92 -19.250 5.232 -0.739 1.00 0.00 N ATOM 1392 CA HIS A 92 -20.344 5.727 0.089 1.00 0.00 C ATOM 1393 C HIS A 92 -19.877 6.879 0.974 1.00 0.00 C ATOM 1394 O HIS A 92 -20.435 7.976 0.929 1.00 0.00 O ATOM 1395 CB HIS A 92 -20.907 4.600 0.953 1.00 0.00 C ATOM 1396 CG HIS A 92 -22.306 4.850 1.427 1.00 0.00 C ATOM 1397 ND1 HIS A 92 -23.413 4.270 0.843 1.00 0.00 N ATOM 1398 CD2 HIS A 92 -22.775 5.622 2.436 1.00 0.00 C ATOM 1399 CE1 HIS A 92 -24.504 4.675 1.472 1.00 0.00 C ATOM 1400 NE2 HIS A 92 -24.143 5.496 2.443 1.00 0.00 N ATOM 0 H HIS A 92 -19.007 4.255 -0.577 1.00 0.00 H new ATOM 0 HA HIS A 92 -21.129 6.095 -0.571 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -20.886 3.671 0.383 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -20.259 4.458 1.818 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -22.184 6.224 3.110 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -25.516 4.385 1.233 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -24.777 5.961 3.092 1.00 0.00 H new ATOM 1409 N HIS A 93 -18.852 6.621 1.779 1.00 0.00 N ATOM 1410 CA HIS A 93 -18.311 7.637 2.675 1.00 0.00 C ATOM 1411 C HIS A 93 -17.999 8.923 1.915 1.00 0.00 C ATOM 1412 O HIS A 93 -18.097 10.020 2.466 1.00 0.00 O ATOM 1413 CB HIS A 93 -17.045 7.119 3.362 1.00 0.00 C ATOM 1414 CG HIS A 93 -17.316 6.397 4.646 1.00 0.00 C ATOM 1415 ND1 HIS A 93 -18.379 6.696 5.470 1.00 0.00 N ATOM 1416 CD2 HIS A 93 -16.653 5.379 5.244 1.00 0.00 C ATOM 1417 CE1 HIS A 93 -18.359 5.896 6.521 1.00 0.00 C ATOM 1418 NE2 HIS A 93 -17.320 5.087 6.407 1.00 0.00 N ATOM 0 H HIS A 93 -18.380 5.718 1.830 1.00 0.00 H new ATOM 0 HA HIS A 93 -19.064 7.856 3.432 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -16.520 6.449 2.681 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -16.379 7.959 3.560 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -15.765 4.888 4.874 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -19.070 5.902 7.334 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -17.057 4.363 7.075 1.00 0.00 H new ATOM 1427 N SER A 94 -17.623 8.780 0.649 1.00 0.00 N ATOM 1428 CA SER A 94 -17.294 9.929 -0.186 1.00 0.00 C ATOM 1429 C SER A 94 -18.433 10.945 -0.185 1.00 0.00 C ATOM 1430 O SER A 94 -18.250 12.102 -0.571 1.00 0.00 O ATOM 1431 CB SER A 94 -16.999 9.480 -1.618 1.00 0.00 C ATOM 1432 OG SER A 94 -16.182 10.423 -2.291 1.00 0.00 O ATOM 0 H SER A 94 -17.538 7.879 0.178 1.00 0.00 H new ATOM 0 HA SER A 94 -16.405 10.404 0.228 1.00 0.00 H new ATOM 0 HB2 SER A 94 -16.503 8.510 -1.603 1.00 0.00 H new ATOM 0 HB3 SER A 94 -17.935 9.351 -2.162 1.00 0.00 H new ATOM 0 HG SER A 94 -15.637 10.909 -1.637 1.00 0.00 H new ATOM 1438 N THR A 95 -19.608 10.506 0.253 1.00 0.00 N ATOM 1439 CA THR A 95 -20.778 11.375 0.304 1.00 0.00 C ATOM 1440 C THR A 95 -20.912 12.036 1.671 1.00 0.00 C ATOM 1441 O THR A 95 -21.302 13.200 1.774 1.00 0.00 O ATOM 1442 CB THR A 95 -22.070 10.597 -0.007 1.00 0.00 C ATOM 1443 OG1 THR A 95 -21.899 9.816 -1.194 1.00 0.00 O ATOM 1444 CG2 THR A 95 -23.245 11.547 -0.184 1.00 0.00 C ATOM 0 H THR A 95 -19.775 9.554 0.578 1.00 0.00 H new ATOM 0 HA THR A 95 -20.635 12.143 -0.456 1.00 0.00 H new ATOM 0 HB THR A 95 -22.281 9.937 0.834 1.00 0.00 H new ATOM 0 HG1 THR A 95 -21.404 8.998 -0.979 1.00 0.00 H new ATOM 0 HG21 THR A 95 -24.146 10.974 -0.403 1.00 0.00 H new ATOM 0 HG22 THR A 95 -23.392 12.119 0.732 1.00 0.00 H new ATOM 0 HG23 THR A 95 -23.040 12.230 -1.009 1.00 0.00 H new ATOM 1452 N VAL A 96 -20.586 11.288 2.720 1.00 0.00 N ATOM 1453 CA VAL A 96 -20.669 11.802 4.082 1.00 0.00 C ATOM 1454 C VAL A 96 -19.481 11.340 4.917 1.00 0.00 C ATOM 1455 O VAL A 96 -18.999 10.218 4.763 1.00 0.00 O ATOM 1456 CB VAL A 96 -21.972 11.356 4.772 1.00 0.00 C ATOM 1457 CG1 VAL A 96 -22.005 9.844 4.927 1.00 0.00 C ATOM 1458 CG2 VAL A 96 -22.120 12.043 6.122 1.00 0.00 C ATOM 0 H VAL A 96 -20.262 10.323 2.653 1.00 0.00 H new ATOM 0 HA VAL A 96 -20.658 12.890 4.011 1.00 0.00 H new ATOM 0 HB VAL A 96 -22.814 11.650 4.145 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -22.933 9.549 5.416 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -21.948 9.376 3.944 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -21.157 9.522 5.532 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -23.046 11.717 6.597 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -21.274 11.781 6.758 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -22.146 13.123 5.980 1.00 0.00 H new ATOM 1468 N ALA A 97 -19.012 12.212 5.803 1.00 0.00 N ATOM 1469 CA ALA A 97 -17.881 11.892 6.666 1.00 0.00 C ATOM 1470 C ALA A 97 -18.318 11.036 7.849 1.00 0.00 C ATOM 1471 O ALA A 97 -17.566 10.854 8.806 1.00 0.00 O ATOM 1472 CB ALA A 97 -17.213 13.169 7.154 1.00 0.00 C ATOM 0 H ALA A 97 -19.398 13.146 5.942 1.00 0.00 H new ATOM 0 HA ALA A 97 -17.161 11.318 6.083 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -16.370 12.916 7.797 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -16.857 13.743 6.299 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -17.933 13.764 7.716 1.00 0.00 H new ATOM 1478 N ASP A 98 -19.535 10.511 7.775 1.00 0.00 N ATOM 1479 CA ASP A 98 -20.073 9.672 8.841 1.00 0.00 C ATOM 1480 C ASP A 98 -18.984 8.782 9.432 1.00 0.00 C ATOM 1481 O ASP A 98 -18.725 7.686 8.933 1.00 0.00 O ATOM 1482 CB ASP A 98 -21.221 8.813 8.312 1.00 0.00 C ATOM 1483 CG ASP A 98 -22.251 8.500 9.379 1.00 0.00 C ATOM 1484 OD1 ASP A 98 -23.460 8.650 9.102 1.00 0.00 O ATOM 1485 OD2 ASP A 98 -21.849 8.105 10.494 1.00 0.00 O ATOM 0 H ASP A 98 -20.169 10.651 6.988 1.00 0.00 H new ATOM 0 HA ASP A 98 -20.452 10.324 9.628 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -21.706 9.330 7.484 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -20.820 7.881 7.914 1.00 0.00 H new ATOM 1491 N GLY A 99 -18.350 9.261 10.498 1.00 0.00 N ATOM 1492 CA GLY A 99 -17.296 8.496 11.139 1.00 0.00 C ATOM 1493 C GLY A 99 -15.967 8.624 10.420 1.00 0.00 C ATOM 1494 O GLY A 99 -15.229 7.647 10.286 1.00 0.00 O ATOM 0 H GLY A 99 -18.547 10.164 10.929 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -17.182 8.833 12.169 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -17.585 7.446 11.177 1.00 0.00 H new ATOM 1498 N LEU A 100 -15.663 9.828 9.954 1.00 0.00 N ATOM 1499 CA LEU A 100 -14.415 10.082 9.242 1.00 0.00 C ATOM 1500 C LEU A 100 -13.946 11.517 9.457 1.00 0.00 C ATOM 1501 O LEU A 100 -14.715 12.374 9.891 1.00 0.00 O ATOM 1502 CB LEU A 100 -14.591 9.809 7.748 1.00 0.00 C ATOM 1503 CG LEU A 100 -14.642 8.337 7.336 1.00 0.00 C ATOM 1504 CD1 LEU A 100 -14.720 8.208 5.823 1.00 0.00 C ATOM 1505 CD2 LEU A 100 -13.430 7.590 7.875 1.00 0.00 C ATOM 0 H LEU A 100 -16.264 10.646 10.056 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.656 9.409 9.641 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -15.511 10.290 7.417 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -13.771 10.287 7.213 1.00 0.00 H new ATOM 0 HG LEU A 100 -15.539 7.891 7.765 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -14.755 7.154 5.549 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -15.619 8.707 5.461 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -13.842 8.670 5.373 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -13.483 6.544 7.572 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.520 8.038 7.476 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.418 7.653 8.963 1.00 0.00 H new ATOM 1517 N VAL A 101 -12.678 11.773 9.148 1.00 0.00 N ATOM 1518 CA VAL A 101 -12.108 13.106 9.304 1.00 0.00 C ATOM 1519 C VAL A 101 -12.779 14.104 8.367 1.00 0.00 C ATOM 1520 O VAL A 101 -13.049 15.243 8.747 1.00 0.00 O ATOM 1521 CB VAL A 101 -10.592 13.102 9.031 1.00 0.00 C ATOM 1522 CG1 VAL A 101 -10.297 12.513 7.660 1.00 0.00 C ATOM 1523 CG2 VAL A 101 -10.026 14.510 9.149 1.00 0.00 C ATOM 0 H VAL A 101 -12.027 11.075 8.788 1.00 0.00 H new ATOM 0 HA VAL A 101 -12.284 13.407 10.337 1.00 0.00 H new ATOM 0 HB VAL A 101 -10.107 12.476 9.780 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -9.221 12.519 7.485 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -10.666 11.488 7.617 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -10.792 13.109 6.894 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -8.954 14.489 8.953 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.515 15.161 8.424 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -10.204 14.890 10.155 1.00 0.00 H new ATOM 1533 N THR A 102 -13.047 13.668 7.140 1.00 0.00 N ATOM 1534 CA THR A 102 -13.687 14.521 6.147 1.00 0.00 C ATOM 1535 C THR A 102 -14.197 13.706 4.966 1.00 0.00 C ATOM 1536 O THR A 102 -13.697 12.615 4.687 1.00 0.00 O ATOM 1537 CB THR A 102 -12.719 15.603 5.629 1.00 0.00 C ATOM 1538 OG1 THR A 102 -13.454 16.657 4.997 1.00 0.00 O ATOM 1539 CG2 THR A 102 -11.723 15.010 4.643 1.00 0.00 C ATOM 0 H THR A 102 -12.830 12.727 6.810 1.00 0.00 H new ATOM 0 HA THR A 102 -14.530 15.003 6.642 1.00 0.00 H new ATOM 0 HB THR A 102 -12.169 16.005 6.480 1.00 0.00 H new ATOM 0 HG1 THR A 102 -12.881 17.446 4.905 1.00 0.00 H new ATOM 0 HG21 THR A 102 -11.050 15.792 4.291 1.00 0.00 H new ATOM 0 HG22 THR A 102 -11.145 14.228 5.136 1.00 0.00 H new ATOM 0 HG23 THR A 102 -12.260 14.584 3.795 1.00 0.00 H new ATOM 1547 N THR A 103 -15.197 14.240 4.272 1.00 0.00 N ATOM 1548 CA THR A 103 -15.777 13.560 3.119 1.00 0.00 C ATOM 1549 C THR A 103 -14.735 13.347 2.026 1.00 0.00 C ATOM 1550 O THR A 103 -14.297 14.298 1.377 1.00 0.00 O ATOM 1551 CB THR A 103 -16.961 14.353 2.536 1.00 0.00 C ATOM 1552 OG1 THR A 103 -16.648 15.750 2.505 1.00 0.00 O ATOM 1553 CG2 THR A 103 -18.220 14.129 3.360 1.00 0.00 C ATOM 0 H THR A 103 -15.623 15.141 4.488 1.00 0.00 H new ATOM 0 HA THR A 103 -16.136 12.592 3.470 1.00 0.00 H new ATOM 0 HB THR A 103 -17.142 13.999 1.521 1.00 0.00 H new ATOM 0 HG1 THR A 103 -15.759 15.877 2.113 1.00 0.00 H new ATOM 0 HG21 THR A 103 -19.043 14.699 2.929 1.00 0.00 H new ATOM 0 HG22 THR A 103 -18.473 13.069 3.357 1.00 0.00 H new ATOM 0 HG23 THR A 103 -18.048 14.458 4.385 1.00 0.00 H new ATOM 1561 N LEU A 104 -14.344 12.094 1.827 1.00 0.00 N ATOM 1562 CA LEU A 104 -13.353 11.754 0.810 1.00 0.00 C ATOM 1563 C LEU A 104 -13.551 12.598 -0.445 1.00 0.00 C ATOM 1564 O LEU A 104 -14.325 12.239 -1.333 1.00 0.00 O ATOM 1565 CB LEU A 104 -13.442 10.269 0.457 1.00 0.00 C ATOM 1566 CG LEU A 104 -13.394 9.297 1.638 1.00 0.00 C ATOM 1567 CD1 LEU A 104 -13.449 7.858 1.146 1.00 0.00 C ATOM 1568 CD2 LEU A 104 -12.140 9.529 2.470 1.00 0.00 C ATOM 0 H LEU A 104 -14.697 11.296 2.355 1.00 0.00 H new ATOM 0 HA LEU A 104 -12.364 11.965 1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -14.370 10.100 -0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.624 10.027 -0.221 1.00 0.00 H new ATOM 0 HG LEU A 104 -14.264 9.479 2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.414 7.180 1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -14.375 7.698 0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -12.598 7.664 0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -12.123 8.829 3.305 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -11.258 9.375 1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -12.141 10.550 2.852 1.00 0.00 H new ATOM 1580 N HIS A 105 -12.844 13.723 -0.514 1.00 0.00 N ATOM 1581 CA HIS A 105 -12.939 14.617 -1.663 1.00 0.00 C ATOM 1582 C HIS A 105 -12.538 13.896 -2.947 1.00 0.00 C ATOM 1583 O HIS A 105 -13.376 13.631 -3.809 1.00 0.00 O ATOM 1584 CB HIS A 105 -12.053 15.845 -1.454 1.00 0.00 C ATOM 1585 CG HIS A 105 -12.713 16.933 -0.666 1.00 0.00 C ATOM 1586 ND1 HIS A 105 -12.012 17.837 0.104 1.00 0.00 N ATOM 1587 CD2 HIS A 105 -14.020 17.263 -0.532 1.00 0.00 C ATOM 1588 CE1 HIS A 105 -12.858 18.674 0.679 1.00 0.00 C ATOM 1589 NE2 HIS A 105 -14.082 18.346 0.308 1.00 0.00 N ATOM 0 H HIS A 105 -12.200 14.036 0.212 1.00 0.00 H new ATOM 0 HA HIS A 105 -13.976 14.939 -1.758 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -11.139 15.541 -0.943 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -11.758 16.240 -2.426 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -14.857 16.766 -0.999 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -12.593 19.487 1.339 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -14.936 18.821 0.599 1.00 0.00 H new ATOM 1598 N TYR A 106 -11.253 13.585 -3.067 1.00 0.00 N ATOM 1599 CA TYR A 106 -10.740 12.899 -4.248 1.00 0.00 C ATOM 1600 C TYR A 106 -9.844 11.730 -3.852 1.00 0.00 C ATOM 1601 O TYR A 106 -8.988 11.839 -2.972 1.00 0.00 O ATOM 1602 CB TYR A 106 -9.963 13.875 -5.133 1.00 0.00 C ATOM 1603 CG TYR A 106 -10.700 15.168 -5.399 1.00 0.00 C ATOM 1604 CD1 TYR A 106 -11.918 15.172 -6.066 1.00 0.00 C ATOM 1605 CD2 TYR A 106 -10.176 16.386 -4.985 1.00 0.00 C ATOM 1606 CE1 TYR A 106 -12.594 16.351 -6.314 1.00 0.00 C ATOM 1607 CE2 TYR A 106 -10.846 17.571 -5.225 1.00 0.00 C ATOM 1608 CZ TYR A 106 -12.055 17.548 -5.890 1.00 0.00 C ATOM 1609 OH TYR A 106 -12.724 18.726 -6.132 1.00 0.00 O ATOM 0 H TYR A 106 -10.547 13.796 -2.362 1.00 0.00 H new ATOM 0 HA TYR A 106 -11.590 12.509 -4.808 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -9.008 14.102 -4.659 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -9.740 13.391 -6.084 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -12.344 14.237 -6.397 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.229 16.408 -4.467 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -13.539 16.336 -6.837 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.426 18.509 -4.894 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.209 19.476 -5.768 1.00 0.00 H new ATOM 1619 N PRO A 107 -10.042 10.581 -4.515 1.00 0.00 N ATOM 1620 CA PRO A 107 -9.261 9.369 -4.252 1.00 0.00 C ATOM 1621 C PRO A 107 -7.815 9.500 -4.714 1.00 0.00 C ATOM 1622 O PRO A 107 -7.408 10.543 -5.224 1.00 0.00 O ATOM 1623 CB PRO A 107 -9.987 8.296 -5.066 1.00 0.00 C ATOM 1624 CG PRO A 107 -10.668 9.045 -6.158 1.00 0.00 C ATOM 1625 CD PRO A 107 -11.044 10.379 -5.575 1.00 0.00 C ATOM 0 HA PRO A 107 -9.200 9.147 -3.187 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -9.288 7.562 -5.466 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -10.705 7.751 -4.452 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -10.009 9.167 -7.017 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -11.551 8.509 -6.507 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -11.003 11.171 -6.323 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -12.058 10.371 -5.174 1.00 0.00 H new ATOM 1633 N ALA A 108 -7.041 8.435 -4.532 1.00 0.00 N ATOM 1634 CA ALA A 108 -5.640 8.430 -4.932 1.00 0.00 C ATOM 1635 C ALA A 108 -5.500 8.218 -6.436 1.00 0.00 C ATOM 1636 O ALA A 108 -6.294 7.520 -7.066 1.00 0.00 O ATOM 1637 CB ALA A 108 -4.877 7.355 -4.173 1.00 0.00 C ATOM 0 H ALA A 108 -7.362 7.564 -4.109 1.00 0.00 H new ATOM 0 HA ALA A 108 -5.215 9.403 -4.686 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -3.832 7.363 -4.482 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.940 7.551 -3.103 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -5.312 6.379 -4.389 1.00 0.00 H new