USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 595 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 8 LYS NZ :NH3+ 158:sc= -0.0787 (180deg=-0.529) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -3.43! C(o=-3.4!,f=-6.5!) USER MOD Single : A 25 LYS NZ :NH3+ 167:sc= 0.266 (180deg=-0.425!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 130:sc= -1.4 USER MOD Single : A 40 SER OG : rot 42:sc= 0.0542 USER MOD Single : A 42 THR OG1 : rot -140:sc= 0.0688 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-1.7) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 154:sc= -8.62! (180deg=-9.48!) USER MOD Single : A 55 THR OG1 : rot -25:sc= -2.37! USER MOD Single : A 62 SER OG : rot 180:sc= 0.0619 USER MOD Single : A 64 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.26) USER MOD Single : A 67 THR OG1 : rot 78:sc= 0.585 USER MOD Single : A 73 ASN : amide:sc= -2.6! C(o=-2.6!,f=-3.8!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 85 N ASP A 7 -1.459 -10.873 -0.442 1.00 16.66 N ATOM 86 CA ASP A 7 -2.057 -12.236 -0.429 1.00 16.66 C ATOM 87 C ASP A 7 -3.034 -12.355 0.739 1.00 16.66 C ATOM 88 O ASP A 7 -4.176 -12.735 0.572 1.00 16.66 O ATOM 89 CB ASP A 7 -0.943 -13.275 -0.274 1.00 16.66 C ATOM 90 CG ASP A 7 -0.052 -13.256 -1.518 1.00 16.66 C ATOM 91 OD1 ASP A 7 -0.459 -12.664 -2.505 1.00 50.00 O ATOM 92 OD2 ASP A 7 1.021 -13.832 -1.463 1.00 50.00 O ATOM 0 HA ASP A 7 -2.591 -12.410 -1.363 1.00 16.66 H new ATOM 0 HB2 ASP A 7 -0.350 -13.058 0.615 1.00 16.66 H new ATOM 0 HB3 ASP A 7 -1.373 -14.267 -0.136 1.00 16.66 H new ATOM 97 N LYS A 8 -2.595 -12.030 1.920 1.00 16.66 N ATOM 98 CA LYS A 8 -3.498 -12.121 3.102 1.00 16.66 C ATOM 99 C LYS A 8 -4.849 -11.499 2.755 1.00 16.66 C ATOM 100 O LYS A 8 -5.887 -11.965 3.180 1.00 16.66 O ATOM 101 CB LYS A 8 -2.875 -11.368 4.278 1.00 16.66 C ATOM 102 CG LYS A 8 -1.899 -12.290 5.009 1.00 16.66 C ATOM 103 CD LYS A 8 -1.604 -11.723 6.400 1.00 16.66 C ATOM 104 CE LYS A 8 -0.521 -12.566 7.075 1.00 50.00 C ATOM 105 NZ LYS A 8 0.770 -12.391 6.350 1.00 50.00 N ATOM 0 H LYS A 8 -1.649 -11.705 2.120 1.00 16.66 H new ATOM 0 HA LYS A 8 -3.638 -13.167 3.376 1.00 16.66 H new ATOM 0 HB2 LYS A 8 -2.355 -10.479 3.921 1.00 16.66 H new ATOM 0 HB3 LYS A 8 -3.654 -11.029 4.961 1.00 16.66 H new ATOM 0 HG2 LYS A 8 -2.323 -13.291 5.095 1.00 16.66 H new ATOM 0 HG3 LYS A 8 -0.974 -12.383 4.439 1.00 16.66 H new ATOM 0 HD2 LYS A 8 -1.276 -10.687 6.320 1.00 16.66 H new ATOM 0 HD3 LYS A 8 -2.511 -11.724 7.005 1.00 16.66 H new ATOM 0 HE2 LYS A 8 -0.409 -12.266 8.117 1.00 50.00 H new ATOM 0 HE3 LYS A 8 -0.811 -13.617 7.075 1.00 50.00 H new ATOM 0 HZ1 LYS A 8 1.559 -12.637 6.982 1.00 50.00 H new ATOM 0 HZ2 LYS A 8 0.787 -13.013 5.517 1.00 50.00 H new ATOM 0 HZ3 LYS A 8 0.866 -11.401 6.045 1.00 50.00 H new ATOM 119 N ALA A 9 -4.842 -10.452 1.979 1.00 16.66 N ATOM 120 CA ALA A 9 -6.128 -9.806 1.597 1.00 16.66 C ATOM 121 C ALA A 9 -6.982 -10.817 0.839 1.00 16.66 C ATOM 122 O ALA A 9 -8.157 -10.978 1.103 1.00 16.66 O ATOM 123 CB ALA A 9 -5.848 -8.595 0.704 1.00 16.66 C ATOM 0 H ALA A 9 -4.004 -10.017 1.594 1.00 16.66 H new ATOM 0 HA ALA A 9 -6.656 -9.475 2.491 1.00 16.66 H new ATOM 0 HB1 ALA A 9 -6.790 -8.123 0.425 1.00 16.66 H new ATOM 0 HB2 ALA A 9 -5.230 -7.879 1.245 1.00 16.66 H new ATOM 0 HB3 ALA A 9 -5.324 -8.919 -0.195 1.00 16.66 H new ATOM 129 N GLU A 10 -6.394 -11.507 -0.095 1.00 16.66 N ATOM 130 CA GLU A 10 -7.163 -12.519 -0.867 1.00 16.66 C ATOM 131 C GLU A 10 -7.513 -13.686 0.055 1.00 16.66 C ATOM 132 O GLU A 10 -8.580 -14.260 -0.025 1.00 16.66 O ATOM 133 CB GLU A 10 -6.317 -13.025 -2.037 1.00 16.66 C ATOM 134 CG GLU A 10 -5.792 -11.834 -2.839 1.00 16.66 C ATOM 135 CD GLU A 10 -5.049 -12.340 -4.077 1.00 16.66 C ATOM 136 OE1 GLU A 10 -4.552 -13.453 -4.033 1.00 16.66 O ATOM 137 OE2 GLU A 10 -4.988 -11.606 -5.050 1.00 16.66 O ATOM 0 H GLU A 10 -5.413 -11.414 -0.358 1.00 16.66 H new ATOM 0 HA GLU A 10 -8.077 -12.069 -1.256 1.00 16.66 H new ATOM 0 HB2 GLU A 10 -5.484 -13.623 -1.666 1.00 16.66 H new ATOM 0 HB3 GLU A 10 -6.914 -13.674 -2.678 1.00 16.66 H new ATOM 0 HG2 GLU A 10 -6.619 -11.189 -3.136 1.00 16.66 H new ATOM 0 HG3 GLU A 10 -5.125 -11.232 -2.222 1.00 16.66 H new ATOM 144 N ARG A 11 -6.619 -14.035 0.938 1.00 16.66 N ATOM 145 CA ARG A 11 -6.893 -15.157 1.876 1.00 16.66 C ATOM 146 C ARG A 11 -7.959 -14.724 2.881 1.00 16.66 C ATOM 147 O ARG A 11 -8.849 -15.475 3.226 1.00 16.66 O ATOM 148 CB ARG A 11 -5.607 -15.514 2.620 1.00 16.66 C ATOM 149 CG ARG A 11 -4.635 -16.192 1.655 1.00 16.66 C ATOM 150 CD ARG A 11 -3.421 -16.717 2.425 1.00 50.00 C ATOM 151 NE ARG A 11 -3.053 -15.741 3.484 1.00 50.00 N ATOM 152 CZ ARG A 11 -1.799 -15.449 3.695 1.00 50.00 C ATOM 153 NH1 ARG A 11 -0.978 -15.327 2.688 1.00 50.00 N ATOM 154 NH2 ARG A 11 -1.365 -15.278 4.914 1.00 50.00 N ATOM 0 H ARG A 11 -5.708 -13.590 1.050 1.00 16.66 H new ATOM 0 HA ARG A 11 -7.247 -16.025 1.320 1.00 16.66 H new ATOM 0 HB2 ARG A 11 -5.154 -14.615 3.038 1.00 16.66 H new ATOM 0 HB3 ARG A 11 -5.829 -16.177 3.456 1.00 16.66 H new ATOM 0 HG2 ARG A 11 -5.133 -17.013 1.140 1.00 16.66 H new ATOM 0 HG3 ARG A 11 -4.314 -15.484 0.891 1.00 16.66 H new ATOM 0 HD2 ARG A 11 -3.649 -17.686 2.870 1.00 50.00 H new ATOM 0 HD3 ARG A 11 -2.582 -16.868 1.746 1.00 50.00 H new ATOM 0 HE ARG A 11 -3.781 -15.299 4.046 1.00 50.00 H new ATOM 0 HH11 ARG A 11 -1.316 -15.460 1.735 1.00 50.00 H new ATOM 0 HH12 ARG A 11 0.002 -15.099 2.854 1.00 50.00 H new ATOM 0 HH21 ARG A 11 -2.006 -15.373 5.702 1.00 50.00 H new ATOM 0 HH22 ARG A 11 -0.385 -15.050 5.079 1.00 50.00 H new ATOM 168 N GLU A 12 -7.873 -13.512 3.349 1.00 16.66 N ATOM 169 CA GLU A 12 -8.874 -13.013 4.328 1.00 16.66 C ATOM 170 C GLU A 12 -10.237 -12.910 3.647 1.00 16.66 C ATOM 171 O GLU A 12 -11.257 -13.250 4.215 1.00 16.66 O ATOM 172 CB GLU A 12 -8.448 -11.634 4.829 1.00 16.66 C ATOM 173 CG GLU A 12 -7.455 -11.793 5.982 1.00 16.66 C ATOM 174 CD GLU A 12 -7.309 -10.458 6.717 1.00 16.66 C ATOM 175 OE1 GLU A 12 -8.091 -9.564 6.442 1.00 50.00 O ATOM 176 OE2 GLU A 12 -6.416 -10.354 7.542 1.00 50.00 O ATOM 0 H GLU A 12 -7.148 -12.842 3.093 1.00 16.66 H new ATOM 0 HA GLU A 12 -8.939 -13.701 5.171 1.00 16.66 H new ATOM 0 HB2 GLU A 12 -7.992 -11.066 4.018 1.00 16.66 H new ATOM 0 HB3 GLU A 12 -9.320 -11.071 5.161 1.00 16.66 H new ATOM 0 HG2 GLU A 12 -7.801 -12.564 6.671 1.00 16.66 H new ATOM 0 HG3 GLU A 12 -6.487 -12.118 5.600 1.00 16.66 H new ATOM 183 N ARG A 13 -10.263 -12.444 2.430 1.00 16.66 N ATOM 184 CA ARG A 13 -11.559 -12.320 1.708 1.00 16.66 C ATOM 185 C ARG A 13 -12.142 -13.711 1.474 1.00 16.66 C ATOM 186 O ARG A 13 -13.324 -13.935 1.631 1.00 16.66 O ATOM 187 CB ARG A 13 -11.334 -11.624 0.365 1.00 16.66 C ATOM 188 CG ARG A 13 -11.093 -10.130 0.596 1.00 16.66 C ATOM 189 CD ARG A 13 -10.564 -9.493 -0.689 1.00 16.66 C ATOM 190 NE ARG A 13 -11.648 -8.700 -1.334 1.00 50.00 N ATOM 191 CZ ARG A 13 -11.635 -8.505 -2.624 1.00 50.00 C ATOM 192 NH1 ARG A 13 -10.597 -7.955 -3.192 1.00 50.00 N ATOM 193 NH2 ARG A 13 -12.661 -8.860 -3.347 1.00 50.00 N ATOM 0 H ARG A 13 -9.442 -12.144 1.904 1.00 16.66 H new ATOM 0 HA ARG A 13 -12.254 -11.730 2.306 1.00 16.66 H new ATOM 0 HB2 ARG A 13 -10.479 -12.066 -0.147 1.00 16.66 H new ATOM 0 HB3 ARG A 13 -12.201 -11.768 -0.280 1.00 16.66 H new ATOM 0 HG2 ARG A 13 -12.020 -9.644 0.900 1.00 16.66 H new ATOM 0 HG3 ARG A 13 -10.378 -9.987 1.406 1.00 16.66 H new ATOM 0 HD2 ARG A 13 -9.713 -8.850 -0.465 1.00 16.66 H new ATOM 0 HD3 ARG A 13 -10.209 -10.266 -1.371 1.00 16.66 H new ATOM 0 HE ARG A 13 -12.400 -8.309 -0.767 1.00 50.00 H new ATOM 0 HH11 ARG A 13 -9.794 -7.677 -2.627 1.00 50.00 H new ATOM 0 HH12 ARG A 13 -10.588 -7.803 -4.201 1.00 50.00 H new ATOM 0 HH21 ARG A 13 -13.473 -9.290 -2.904 1.00 50.00 H new ATOM 0 HH22 ARG A 13 -12.651 -8.708 -4.356 1.00 50.00 H new ATOM 207 N ILE A 14 -11.318 -14.652 1.108 1.00 16.66 N ATOM 208 CA ILE A 14 -11.821 -16.031 0.875 1.00 16.66 C ATOM 209 C ILE A 14 -12.226 -16.648 2.214 1.00 16.66 C ATOM 210 O ILE A 14 -13.280 -17.240 2.345 1.00 16.66 O ATOM 211 CB ILE A 14 -10.718 -16.874 0.233 1.00 50.00 C ATOM 212 CG1 ILE A 14 -10.232 -16.187 -1.044 1.00 50.00 C ATOM 213 CG2 ILE A 14 -11.268 -18.260 -0.110 1.00 50.00 C ATOM 214 CD1 ILE A 14 -8.794 -16.618 -1.340 1.00 50.00 C ATOM 0 H ILE A 14 -10.317 -14.524 0.960 1.00 16.66 H new ATOM 0 HA ILE A 14 -12.684 -16.002 0.210 1.00 16.66 H new ATOM 0 HB ILE A 14 -9.886 -16.977 0.930 1.00 50.00 H new ATOM 0 HG12 ILE A 14 -10.881 -16.449 -1.880 1.00 50.00 H new ATOM 0 HG13 ILE A 14 -10.282 -15.104 -0.929 1.00 50.00 H new ATOM 0 HG21 ILE A 14 -10.482 -18.860 -0.568 1.00 50.00 H new ATOM 0 HG22 ILE A 14 -11.615 -18.749 0.800 1.00 50.00 H new ATOM 0 HG23 ILE A 14 -12.100 -18.159 -0.807 1.00 50.00 H new ATOM 0 HD11 ILE A 14 -8.447 -16.128 -2.250 1.00 50.00 H new ATOM 0 HD12 ILE A 14 -8.150 -16.334 -0.508 1.00 50.00 H new ATOM 0 HD13 ILE A 14 -8.758 -17.699 -1.474 1.00 50.00 H new ATOM 226 N PHE A 15 -11.398 -16.510 3.214 1.00 16.66 N ATOM 227 CA PHE A 15 -11.741 -17.086 4.542 1.00 16.66 C ATOM 228 C PHE A 15 -12.956 -16.355 5.112 1.00 16.66 C ATOM 229 O PHE A 15 -13.799 -16.942 5.762 1.00 16.66 O ATOM 230 CB PHE A 15 -10.555 -16.929 5.497 1.00 16.66 C ATOM 231 CG PHE A 15 -10.912 -17.545 6.829 1.00 16.66 C ATOM 232 CD1 PHE A 15 -10.652 -18.900 7.062 1.00 16.66 C ATOM 233 CD2 PHE A 15 -11.512 -16.767 7.827 1.00 16.66 C ATOM 234 CE1 PHE A 15 -10.990 -19.479 8.291 1.00 16.66 C ATOM 235 CE2 PHE A 15 -11.849 -17.345 9.058 1.00 16.66 C ATOM 236 CZ PHE A 15 -11.589 -18.702 9.290 1.00 16.66 C ATOM 0 H PHE A 15 -10.502 -16.025 3.168 1.00 16.66 H new ATOM 0 HA PHE A 15 -11.971 -18.145 4.428 1.00 16.66 H new ATOM 0 HB2 PHE A 15 -9.671 -17.414 5.083 1.00 16.66 H new ATOM 0 HB3 PHE A 15 -10.310 -15.874 5.623 1.00 16.66 H new ATOM 0 HD1 PHE A 15 -10.190 -19.500 6.292 1.00 16.66 H new ATOM 0 HD2 PHE A 15 -11.715 -15.721 7.648 1.00 16.66 H new ATOM 0 HE1 PHE A 15 -10.789 -20.525 8.469 1.00 16.66 H new ATOM 0 HE2 PHE A 15 -12.309 -16.744 9.828 1.00 16.66 H new ATOM 0 HZ PHE A 15 -11.850 -19.148 10.238 1.00 16.66 H new ATOM 246 N LYS A 16 -13.057 -15.077 4.871 1.00 16.66 N ATOM 247 CA LYS A 16 -14.220 -14.310 5.396 1.00 16.66 C ATOM 248 C LYS A 16 -15.500 -14.807 4.722 1.00 16.66 C ATOM 249 O LYS A 16 -16.559 -14.828 5.317 1.00 16.66 O ATOM 250 CB LYS A 16 -14.030 -12.821 5.098 1.00 50.00 C ATOM 251 CG LYS A 16 -13.152 -12.191 6.180 1.00 50.00 C ATOM 252 CD LYS A 16 -12.926 -10.713 5.856 1.00 50.00 C ATOM 253 CE LYS A 16 -11.927 -10.119 6.849 1.00 50.00 C ATOM 254 NZ LYS A 16 -12.662 -9.348 7.892 1.00 50.00 N ATOM 0 H LYS A 16 -12.384 -14.531 4.333 1.00 16.66 H new ATOM 0 HA LYS A 16 -14.295 -14.455 6.474 1.00 16.66 H new ATOM 0 HB2 LYS A 16 -13.568 -12.691 4.119 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -14.997 -12.320 5.063 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -13.629 -12.292 7.155 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -12.196 -12.712 6.237 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -12.550 -10.606 4.838 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -13.870 -10.171 5.906 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -11.343 -10.914 7.313 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -11.224 -9.469 6.329 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -11.983 -8.944 8.568 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -13.201 -8.581 7.442 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -13.316 -9.981 8.395 1.00 50.00 H new ATOM 268 N ARG A 17 -15.409 -15.208 3.485 1.00 16.66 N ATOM 269 CA ARG A 17 -16.620 -15.707 2.774 1.00 16.66 C ATOM 270 C ARG A 17 -17.033 -17.053 3.367 1.00 16.66 C ATOM 271 O ARG A 17 -18.202 -17.373 3.454 1.00 16.66 O ATOM 272 CB ARG A 17 -16.303 -15.878 1.288 1.00 16.66 C ATOM 273 CG ARG A 17 -16.211 -14.503 0.628 1.00 16.66 C ATOM 274 CD ARG A 17 -16.210 -14.665 -0.893 1.00 50.00 C ATOM 275 NE ARG A 17 -15.860 -13.365 -1.529 1.00 50.00 N ATOM 276 CZ ARG A 17 -14.792 -13.269 -2.272 1.00 50.00 C ATOM 277 NH1 ARG A 17 -13.654 -13.741 -1.842 1.00 50.00 N ATOM 278 NH2 ARG A 17 -14.861 -12.700 -3.444 1.00 50.00 N ATOM 0 H ARG A 17 -14.550 -15.212 2.936 1.00 16.66 H new ATOM 0 HA ARG A 17 -17.434 -14.992 2.890 1.00 16.66 H new ATOM 0 HB2 ARG A 17 -15.363 -16.416 1.165 1.00 16.66 H new ATOM 0 HB3 ARG A 17 -17.078 -16.474 0.806 1.00 16.66 H new ATOM 0 HG2 ARG A 17 -17.052 -13.883 0.938 1.00 16.66 H new ATOM 0 HG3 ARG A 17 -15.303 -13.993 0.950 1.00 16.66 H new ATOM 0 HD2 ARG A 17 -15.493 -15.431 -1.188 1.00 50.00 H new ATOM 0 HD3 ARG A 17 -17.190 -14.997 -1.235 1.00 50.00 H new ATOM 0 HE ARG A 17 -16.455 -12.550 -1.384 1.00 50.00 H new ATOM 0 HH11 ARG A 17 -13.600 -14.185 -0.925 1.00 50.00 H new ATOM 0 HH12 ARG A 17 -12.819 -13.666 -2.423 1.00 50.00 H new ATOM 0 HH21 ARG A 17 -15.750 -12.330 -3.780 1.00 50.00 H new ATOM 0 HH22 ARG A 17 -14.026 -12.625 -4.025 1.00 50.00 H new ATOM 292 N PHE A 18 -16.082 -17.845 3.776 1.00 16.66 N ATOM 293 CA PHE A 18 -16.421 -19.172 4.364 1.00 16.66 C ATOM 294 C PHE A 18 -17.082 -18.973 5.728 1.00 16.66 C ATOM 295 O PHE A 18 -18.107 -19.555 6.020 1.00 16.66 O ATOM 296 CB PHE A 18 -15.145 -20.001 4.526 1.00 16.66 C ATOM 297 CG PHE A 18 -14.784 -20.632 3.203 1.00 16.66 C ATOM 298 CD1 PHE A 18 -15.561 -21.678 2.692 1.00 16.66 C ATOM 299 CD2 PHE A 18 -13.672 -20.172 2.488 1.00 16.66 C ATOM 300 CE1 PHE A 18 -15.227 -22.264 1.465 1.00 16.66 C ATOM 301 CE2 PHE A 18 -13.337 -20.757 1.261 1.00 16.66 C ATOM 302 CZ PHE A 18 -14.115 -21.803 0.750 1.00 16.66 C ATOM 0 H PHE A 18 -15.086 -17.632 3.729 1.00 16.66 H new ATOM 0 HA PHE A 18 -17.110 -19.697 3.702 1.00 16.66 H new ATOM 0 HB2 PHE A 18 -14.329 -19.368 4.874 1.00 16.66 H new ATOM 0 HB3 PHE A 18 -15.293 -20.773 5.281 1.00 16.66 H new ATOM 0 HD1 PHE A 18 -16.418 -22.033 3.244 1.00 16.66 H new ATOM 0 HD2 PHE A 18 -13.072 -19.365 2.883 1.00 16.66 H new ATOM 0 HE1 PHE A 18 -15.827 -23.071 1.070 1.00 16.66 H new ATOM 0 HE2 PHE A 18 -12.479 -20.402 0.709 1.00 16.66 H new ATOM 0 HZ PHE A 18 -13.857 -22.255 -0.197 1.00 16.66 H new ATOM 312 N ASP A 19 -16.509 -18.151 6.561 1.00 16.66 N ATOM 313 CA ASP A 19 -17.118 -17.915 7.901 1.00 16.66 C ATOM 314 C ASP A 19 -18.541 -17.381 7.708 1.00 16.66 C ATOM 315 O ASP A 19 -18.742 -16.235 7.359 1.00 16.66 O ATOM 316 CB ASP A 19 -16.275 -16.899 8.677 1.00 16.66 C ATOM 317 CG ASP A 19 -16.542 -17.063 10.169 1.00 16.66 C ATOM 318 OD1 ASP A 19 -17.315 -17.935 10.509 1.00 16.66 O ATOM 319 OD2 ASP A 19 -15.964 -16.318 10.943 1.00 16.66 O ATOM 0 H ASP A 19 -15.650 -17.634 6.375 1.00 16.66 H new ATOM 0 HA ASP A 19 -17.151 -18.846 8.466 1.00 16.66 H new ATOM 0 HB2 ASP A 19 -15.216 -17.050 8.466 1.00 16.66 H new ATOM 0 HB3 ASP A 19 -16.522 -15.886 8.360 1.00 16.66 H new ATOM 324 N ALA A 20 -19.530 -18.212 7.907 1.00 16.66 N ATOM 325 CA ALA A 20 -20.943 -17.772 7.706 1.00 16.66 C ATOM 326 C ALA A 20 -21.346 -16.708 8.734 1.00 16.66 C ATOM 327 O ALA A 20 -21.843 -15.658 8.377 1.00 16.66 O ATOM 328 CB ALA A 20 -21.870 -18.981 7.846 1.00 50.00 C ATOM 0 H ALA A 20 -19.419 -19.182 8.202 1.00 16.66 H new ATOM 0 HA ALA A 20 -21.029 -17.338 6.710 1.00 16.66 H new ATOM 0 HB1 ALA A 20 -22.903 -18.666 7.700 1.00 50.00 H new ATOM 0 HB2 ALA A 20 -21.609 -19.728 7.096 1.00 50.00 H new ATOM 0 HB3 ALA A 20 -21.759 -19.411 8.841 1.00 50.00 H new ATOM 334 N ASN A 21 -21.151 -16.958 10.002 1.00 16.66 N ATOM 335 CA ASN A 21 -21.549 -15.938 11.014 1.00 16.66 C ATOM 336 C ASN A 21 -20.398 -14.955 11.227 1.00 16.66 C ATOM 337 O ASN A 21 -20.595 -13.836 11.659 1.00 16.66 O ATOM 338 CB ASN A 21 -21.930 -16.621 12.334 1.00 16.66 C ATOM 339 CG ASN A 21 -20.705 -17.264 12.987 1.00 16.66 C ATOM 340 OD1 ASN A 21 -19.788 -17.676 12.306 1.00 16.66 O ATOM 341 ND2 ASN A 21 -20.682 -17.361 14.288 1.00 16.66 N ATOM 0 H ASN A 21 -20.739 -17.813 10.376 1.00 16.66 H new ATOM 0 HA ASN A 21 -22.419 -15.390 10.652 1.00 16.66 H new ATOM 0 HB2 ASN A 21 -22.368 -15.890 13.014 1.00 16.66 H new ATOM 0 HB3 ASN A 21 -22.690 -17.380 12.150 1.00 16.66 H new ATOM 0 HD21 ASN A 21 -19.882 -17.790 14.753 1.00 16.66 H new ATOM 0 HD22 ASN A 21 -21.464 -17.008 14.840 1.00 16.66 H new ATOM 348 N GLY A 22 -19.200 -15.354 10.908 1.00 16.66 N ATOM 349 CA GLY A 22 -18.040 -14.434 11.071 1.00 16.66 C ATOM 350 C GLY A 22 -17.548 -14.453 12.519 1.00 16.66 C ATOM 351 O GLY A 22 -17.250 -13.424 13.093 1.00 16.66 O ATOM 0 H GLY A 22 -18.973 -16.278 10.541 1.00 16.66 H new ATOM 0 HA2 GLY A 22 -17.233 -14.733 10.402 1.00 16.66 H new ATOM 0 HA3 GLY A 22 -18.328 -13.421 10.791 1.00 16.66 H new ATOM 355 N ASP A 23 -17.443 -15.609 13.112 1.00 16.66 N ATOM 356 CA ASP A 23 -16.949 -15.670 14.516 1.00 16.66 C ATOM 357 C ASP A 23 -15.465 -16.054 14.513 1.00 16.66 C ATOM 358 O ASP A 23 -14.865 -16.269 15.548 1.00 16.66 O ATOM 359 CB ASP A 23 -17.760 -16.688 15.327 1.00 16.66 C ATOM 360 CG ASP A 23 -17.619 -18.088 14.725 1.00 16.66 C ATOM 361 OD1 ASP A 23 -17.202 -18.186 13.586 1.00 16.66 O ATOM 362 OD2 ASP A 23 -17.943 -19.039 15.417 1.00 16.66 O ATOM 0 H ASP A 23 -17.676 -16.508 12.690 1.00 16.66 H new ATOM 0 HA ASP A 23 -17.070 -14.692 14.982 1.00 16.66 H new ATOM 0 HB2 ASP A 23 -17.416 -16.694 16.361 1.00 16.66 H new ATOM 0 HB3 ASP A 23 -18.810 -16.396 15.342 1.00 16.66 H new ATOM 367 N GLY A 24 -14.864 -16.118 13.352 1.00 16.66 N ATOM 368 CA GLY A 24 -13.415 -16.461 13.274 1.00 16.66 C ATOM 369 C GLY A 24 -13.230 -17.964 13.049 1.00 16.66 C ATOM 370 O GLY A 24 -12.141 -18.425 12.772 1.00 16.66 O ATOM 0 H GLY A 24 -15.317 -15.947 12.454 1.00 16.66 H new ATOM 0 HA2 GLY A 24 -12.947 -15.906 12.461 1.00 16.66 H new ATOM 0 HA3 GLY A 24 -12.914 -16.161 14.195 1.00 16.66 H new ATOM 374 N LYS A 25 -14.272 -18.738 13.174 1.00 16.66 N ATOM 375 CA LYS A 25 -14.127 -20.208 12.976 1.00 16.66 C ATOM 376 C LYS A 25 -15.156 -20.702 11.959 1.00 16.66 C ATOM 377 O LYS A 25 -16.299 -20.275 11.948 1.00 16.66 O ATOM 378 CB LYS A 25 -14.341 -20.930 14.311 1.00 50.00 C ATOM 379 CG LYS A 25 -15.823 -20.893 14.682 1.00 50.00 C ATOM 380 CD LYS A 25 -16.062 -21.784 15.903 1.00 50.00 C ATOM 381 CE LYS A 25 -17.566 -21.945 16.129 1.00 50.00 C ATOM 382 NZ LYS A 25 -18.238 -22.217 14.827 1.00 50.00 N ATOM 0 H LYS A 25 -15.213 -18.419 13.403 1.00 16.66 H new ATOM 0 HA LYS A 25 -13.125 -20.420 12.603 1.00 16.66 H new ATOM 0 HB2 LYS A 25 -14.000 -21.963 14.236 1.00 50.00 H new ATOM 0 HB3 LYS A 25 -13.748 -20.454 15.092 1.00 50.00 H new ATOM 0 HG2 LYS A 25 -16.130 -19.870 14.899 1.00 50.00 H new ATOM 0 HG3 LYS A 25 -16.428 -21.236 13.843 1.00 50.00 H new ATOM 0 HD2 LYS A 25 -15.600 -22.759 15.751 1.00 50.00 H new ATOM 0 HD3 LYS A 25 -15.596 -21.344 16.785 1.00 50.00 H new ATOM 0 HE2 LYS A 25 -17.754 -22.762 16.825 1.00 50.00 H new ATOM 0 HE3 LYS A 25 -17.976 -21.041 16.580 1.00 50.00 H new ATOM 0 HZ1 LYS A 25 -19.211 -22.542 15.000 1.00 50.00 H new ATOM 0 HZ2 LYS A 25 -18.260 -21.346 14.259 1.00 50.00 H new ATOM 0 HZ3 LYS A 25 -17.713 -22.953 14.313 1.00 50.00 H new ATOM 396 N ILE A 26 -14.758 -21.612 11.113 1.00 16.66 N ATOM 397 CA ILE A 26 -15.701 -22.156 10.099 1.00 16.66 C ATOM 398 C ILE A 26 -15.977 -23.628 10.401 1.00 16.66 C ATOM 399 O ILE A 26 -15.075 -24.400 10.660 1.00 16.66 O ATOM 400 CB ILE A 26 -15.082 -22.030 8.707 1.00 16.66 C ATOM 401 CG1 ILE A 26 -14.380 -20.678 8.581 1.00 16.66 C ATOM 402 CG2 ILE A 26 -16.181 -22.135 7.649 1.00 16.66 C ATOM 403 CD1 ILE A 26 -13.897 -20.491 7.143 1.00 16.66 C ATOM 0 H ILE A 26 -13.816 -22.003 11.081 1.00 16.66 H new ATOM 0 HA ILE A 26 -16.635 -21.595 10.133 1.00 16.66 H new ATOM 0 HB ILE A 26 -14.357 -22.830 8.558 1.00 16.66 H new ATOM 0 HG12 ILE A 26 -15.063 -19.874 8.855 1.00 16.66 H new ATOM 0 HG13 ILE A 26 -13.536 -20.628 9.269 1.00 16.66 H new ATOM 0 HG21 ILE A 26 -15.740 -22.045 6.656 1.00 16.66 H new ATOM 0 HG22 ILE A 26 -16.681 -23.099 7.738 1.00 16.66 H new ATOM 0 HG23 ILE A 26 -16.907 -21.335 7.797 1.00 16.66 H new ATOM 0 HD11 ILE A 26 -13.396 -19.528 7.050 1.00 16.66 H new ATOM 0 HD12 ILE A 26 -13.200 -21.289 6.887 1.00 16.66 H new ATOM 0 HD13 ILE A 26 -14.750 -20.523 6.466 1.00 16.66 H new ATOM 415 N SER A 27 -17.217 -24.024 10.361 1.00 16.66 N ATOM 416 CA SER A 27 -17.558 -25.445 10.636 1.00 16.66 C ATOM 417 C SER A 27 -17.912 -26.125 9.316 1.00 16.66 C ATOM 418 O SER A 27 -18.096 -25.477 8.306 1.00 16.66 O ATOM 419 CB SER A 27 -18.758 -25.510 11.582 1.00 50.00 C ATOM 420 OG SER A 27 -19.954 -25.307 10.845 1.00 50.00 O ATOM 0 H SER A 27 -18.012 -23.422 10.149 1.00 16.66 H new ATOM 0 HA SER A 27 -16.710 -25.949 11.100 1.00 16.66 H new ATOM 0 HB2 SER A 27 -18.787 -26.477 12.083 1.00 50.00 H new ATOM 0 HB3 SER A 27 -18.664 -24.751 12.359 1.00 50.00 H new ATOM 0 HG SER A 27 -20.723 -25.350 11.451 1.00 50.00 H new ATOM 426 N ALA A 28 -18.013 -27.423 9.307 1.00 16.66 N ATOM 427 CA ALA A 28 -18.359 -28.118 8.039 1.00 16.66 C ATOM 428 C ALA A 28 -19.593 -27.456 7.431 1.00 16.66 C ATOM 429 O ALA A 28 -19.641 -27.171 6.252 1.00 16.66 O ATOM 430 CB ALA A 28 -18.651 -29.593 8.321 1.00 50.00 C ATOM 0 H ALA A 28 -17.872 -28.029 10.116 1.00 16.66 H new ATOM 0 HA ALA A 28 -17.523 -28.049 7.342 1.00 16.66 H new ATOM 0 HB1 ALA A 28 -18.904 -30.098 7.389 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -17.770 -30.061 8.760 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -19.487 -29.672 9.015 1.00 50.00 H new ATOM 436 N ALA A 29 -20.593 -27.209 8.228 1.00 16.66 N ATOM 437 CA ALA A 29 -21.825 -26.564 7.698 1.00 16.66 C ATOM 438 C ALA A 29 -21.466 -25.226 7.054 1.00 16.66 C ATOM 439 O ALA A 29 -22.007 -24.855 6.031 1.00 16.66 O ATOM 440 CB ALA A 29 -22.813 -26.332 8.843 1.00 50.00 C ATOM 0 H ALA A 29 -20.611 -27.426 9.224 1.00 16.66 H new ATOM 0 HA ALA A 29 -22.281 -27.214 6.951 1.00 16.66 H new ATOM 0 HB1 ALA A 29 -23.715 -25.860 8.455 1.00 50.00 H new ATOM 0 HB2 ALA A 29 -23.071 -27.287 9.300 1.00 50.00 H new ATOM 0 HB3 ALA A 29 -22.357 -25.684 9.591 1.00 50.00 H new ATOM 446 N GLU A 30 -20.560 -24.496 7.641 1.00 16.66 N ATOM 447 CA GLU A 30 -20.174 -23.184 7.055 1.00 16.66 C ATOM 448 C GLU A 30 -19.284 -23.414 5.837 1.00 16.66 C ATOM 449 O GLU A 30 -19.554 -22.925 4.758 1.00 16.66 O ATOM 450 CB GLU A 30 -19.421 -22.353 8.098 1.00 16.66 C ATOM 451 CG GLU A 30 -20.359 -22.020 9.262 1.00 16.66 C ATOM 452 CD GLU A 30 -19.632 -21.124 10.269 1.00 16.66 C ATOM 453 OE1 GLU A 30 -18.610 -21.536 10.770 1.00 16.66 O ATOM 454 OE2 GLU A 30 -20.112 -20.039 10.523 1.00 16.66 O ATOM 0 H GLU A 30 -20.071 -24.751 8.499 1.00 16.66 H new ATOM 0 HA GLU A 30 -21.071 -22.645 6.751 1.00 16.66 H new ATOM 0 HB2 GLU A 30 -18.555 -22.906 8.462 1.00 16.66 H new ATOM 0 HB3 GLU A 30 -19.046 -21.435 7.645 1.00 16.66 H new ATOM 0 HG2 GLU A 30 -21.251 -21.516 8.890 1.00 16.66 H new ATOM 0 HG3 GLU A 30 -20.690 -22.937 9.749 1.00 16.66 H new ATOM 461 N LEU A 31 -18.224 -24.155 5.995 1.00 16.66 N ATOM 462 CA LEU A 31 -17.324 -24.412 4.837 1.00 16.66 C ATOM 463 C LEU A 31 -18.102 -25.168 3.763 1.00 16.66 C ATOM 464 O LEU A 31 -17.996 -24.883 2.587 1.00 16.66 O ATOM 465 CB LEU A 31 -16.128 -25.249 5.292 1.00 16.66 C ATOM 466 CG LEU A 31 -15.266 -25.611 4.080 1.00 16.66 C ATOM 467 CD1 LEU A 31 -14.296 -24.464 3.785 1.00 16.66 C ATOM 468 CD2 LEU A 31 -14.476 -26.885 4.378 1.00 16.66 C ATOM 0 H LEU A 31 -17.942 -24.592 6.872 1.00 16.66 H new ATOM 0 HA LEU A 31 -16.963 -23.466 4.433 1.00 16.66 H new ATOM 0 HB2 LEU A 31 -15.537 -24.692 6.019 1.00 16.66 H new ATOM 0 HB3 LEU A 31 -16.473 -26.155 5.790 1.00 16.66 H new ATOM 0 HG LEU A 31 -15.907 -25.777 3.214 1.00 16.66 H new ATOM 0 HD11 LEU A 31 -13.681 -24.720 2.922 1.00 16.66 H new ATOM 0 HD12 LEU A 31 -14.860 -23.556 3.572 1.00 16.66 H new ATOM 0 HD13 LEU A 31 -13.655 -24.298 4.651 1.00 16.66 H new ATOM 0 HD21 LEU A 31 -13.862 -27.143 3.515 1.00 16.66 H new ATOM 0 HD22 LEU A 31 -13.834 -26.721 5.244 1.00 16.66 H new ATOM 0 HD23 LEU A 31 -15.167 -27.701 4.588 1.00 16.66 H new ATOM 480 N GLY A 32 -18.889 -26.128 4.161 1.00 16.66 N ATOM 481 CA GLY A 32 -19.681 -26.899 3.165 1.00 16.66 C ATOM 482 C GLY A 32 -20.655 -25.955 2.463 1.00 16.66 C ATOM 483 O GLY A 32 -20.813 -25.994 1.259 1.00 16.66 O ATOM 0 H GLY A 32 -19.018 -26.411 5.132 1.00 16.66 H new ATOM 0 HA2 GLY A 32 -19.018 -27.365 2.436 1.00 16.66 H new ATOM 0 HA3 GLY A 32 -20.227 -27.703 3.659 1.00 16.66 H new ATOM 487 N GLU A 33 -21.312 -25.110 3.207 1.00 16.66 N ATOM 488 CA GLU A 33 -22.280 -24.166 2.584 1.00 16.66 C ATOM 489 C GLU A 33 -21.572 -23.332 1.520 1.00 16.66 C ATOM 490 O GLU A 33 -22.078 -23.142 0.432 1.00 16.66 O ATOM 491 CB GLU A 33 -22.855 -23.243 3.658 1.00 50.00 C ATOM 492 CG GLU A 33 -24.179 -23.815 4.170 1.00 50.00 C ATOM 493 CD GLU A 33 -24.871 -22.781 5.060 1.00 50.00 C ATOM 494 OE1 GLU A 33 -24.436 -21.641 5.060 1.00 50.00 O ATOM 495 OE2 GLU A 33 -25.825 -23.146 5.727 1.00 50.00 O ATOM 0 H GLU A 33 -21.220 -25.032 4.220 1.00 16.66 H new ATOM 0 HA GLU A 33 -23.088 -24.731 2.120 1.00 16.66 H new ATOM 0 HB2 GLU A 33 -22.148 -23.142 4.482 1.00 50.00 H new ATOM 0 HB3 GLU A 33 -23.012 -22.245 3.248 1.00 50.00 H new ATOM 0 HG2 GLU A 33 -24.823 -24.077 3.331 1.00 50.00 H new ATOM 0 HG3 GLU A 33 -23.999 -24.732 4.732 1.00 50.00 H new ATOM 502 N ALA A 34 -20.403 -22.844 1.814 1.00 16.66 N ATOM 503 CA ALA A 34 -19.669 -22.037 0.803 1.00 16.66 C ATOM 504 C ALA A 34 -19.162 -22.975 -0.287 1.00 16.66 C ATOM 505 O ALA A 34 -19.185 -22.660 -1.460 1.00 16.66 O ATOM 506 CB ALA A 34 -18.485 -21.331 1.468 1.00 50.00 C ATOM 0 H ALA A 34 -19.925 -22.968 2.706 1.00 16.66 H new ATOM 0 HA ALA A 34 -20.330 -21.285 0.372 1.00 16.66 H new ATOM 0 HB1 ALA A 34 -17.949 -20.741 0.725 1.00 50.00 H new ATOM 0 HB2 ALA A 34 -18.850 -20.675 2.258 1.00 50.00 H new ATOM 0 HB3 ALA A 34 -17.812 -22.074 1.895 1.00 50.00 H new ATOM 512 N LEU A 35 -18.708 -24.134 0.099 1.00 99.99 N ATOM 513 CA LEU A 35 -18.198 -25.109 -0.901 1.00 99.99 C ATOM 514 C LEU A 35 -19.304 -25.436 -1.903 1.00 99.99 C ATOM 515 O LEU A 35 -19.047 -25.676 -3.066 1.00 99.99 O ATOM 516 CB LEU A 35 -17.761 -26.387 -0.184 1.00 99.99 C ATOM 517 CG LEU A 35 -16.285 -26.275 0.204 1.00 99.99 C ATOM 518 CD1 LEU A 35 -15.831 -27.580 0.860 1.00 99.99 C ATOM 519 CD2 LEU A 35 -15.446 -26.017 -1.049 1.00 99.99 C ATOM 0 H LEU A 35 -18.669 -24.448 1.069 1.00 99.99 H new ATOM 0 HA LEU A 35 -17.347 -24.680 -1.430 1.00 99.99 H new ATOM 0 HB2 LEU A 35 -18.371 -26.544 0.706 1.00 99.99 H new ATOM 0 HB3 LEU A 35 -17.913 -27.250 -0.832 1.00 99.99 H new ATOM 0 HG LEU A 35 -16.155 -25.450 0.905 1.00 99.99 H new ATOM 0 HD11 LEU A 35 -14.780 -27.502 1.137 1.00 99.99 H new ATOM 0 HD12 LEU A 35 -16.428 -27.766 1.753 1.00 99.99 H new ATOM 0 HD13 LEU A 35 -15.961 -28.404 0.159 1.00 99.99 H new ATOM 0 HD21 LEU A 35 -14.395 -25.937 -0.773 1.00 99.99 H new ATOM 0 HD22 LEU A 35 -15.575 -26.842 -1.750 1.00 99.99 H new ATOM 0 HD23 LEU A 35 -15.769 -25.088 -1.518 1.00 99.99 H new ATOM 531 N LYS A 36 -20.536 -25.453 -1.467 1.00 99.99 N ATOM 532 CA LYS A 36 -21.648 -25.769 -2.406 1.00 99.99 C ATOM 533 C LYS A 36 -21.452 -24.992 -3.708 1.00 99.99 C ATOM 534 O LYS A 36 -21.918 -25.393 -4.757 1.00 99.99 O ATOM 535 CB LYS A 36 -22.981 -25.369 -1.770 1.00 99.99 C ATOM 536 CG LYS A 36 -23.775 -26.627 -1.415 1.00 99.99 C ATOM 537 CD LYS A 36 -25.060 -26.231 -0.683 1.00 99.99 C ATOM 538 CE LYS A 36 -25.170 -27.026 0.620 1.00 99.99 C ATOM 539 NZ LYS A 36 -26.026 -28.225 0.401 1.00 99.99 N ATOM 0 H LYS A 36 -20.818 -25.262 -0.505 1.00 99.99 H new ATOM 0 HA LYS A 36 -21.652 -26.838 -2.618 1.00 99.99 H new ATOM 0 HB2 LYS A 36 -22.804 -24.773 -0.875 1.00 99.99 H new ATOM 0 HB3 LYS A 36 -23.553 -24.748 -2.459 1.00 99.99 H new ATOM 0 HG2 LYS A 36 -24.017 -27.185 -2.320 1.00 99.99 H new ATOM 0 HG3 LYS A 36 -23.174 -27.284 -0.787 1.00 99.99 H new ATOM 0 HD2 LYS A 36 -25.055 -25.162 -0.470 1.00 99.99 H new ATOM 0 HD3 LYS A 36 -25.926 -26.426 -1.315 1.00 99.99 H new ATOM 0 HE2 LYS A 36 -24.179 -27.330 0.957 1.00 99.99 H new ATOM 0 HE3 LYS A 36 -25.596 -26.401 1.405 1.00 99.99 H new ATOM 0 HZ1 LYS A 36 -26.100 -28.765 1.287 1.00 99.99 H new ATOM 0 HZ2 LYS A 36 -26.974 -27.924 0.098 1.00 99.99 H new ATOM 0 HZ3 LYS A 36 -25.602 -28.825 -0.335 1.00 99.99 H new ATOM 553 N THR A 37 -20.769 -23.882 -3.651 1.00 99.99 N ATOM 554 CA THR A 37 -20.547 -23.081 -4.886 1.00 99.99 C ATOM 555 C THR A 37 -19.969 -23.982 -5.975 1.00 99.99 C ATOM 556 O THR A 37 -20.119 -23.726 -7.153 1.00 99.99 O ATOM 557 CB THR A 37 -19.566 -21.943 -4.584 1.00 99.99 C ATOM 558 OG1 THR A 37 -19.591 -21.004 -5.649 1.00 99.99 O ATOM 559 CG2 THR A 37 -18.152 -22.508 -4.431 1.00 99.99 C ATOM 0 H THR A 37 -20.355 -23.496 -2.802 1.00 99.99 H new ATOM 0 HA THR A 37 -21.493 -22.661 -5.227 1.00 99.99 H new ATOM 0 HB THR A 37 -19.857 -21.450 -3.657 1.00 99.99 H new ATOM 0 HG1 THR A 37 -19.707 -20.101 -5.286 1.00 99.99 H new ATOM 0 HG21 THR A 37 -17.457 -21.696 -4.216 1.00 99.99 H new ATOM 0 HG22 THR A 37 -18.134 -23.227 -3.612 1.00 99.99 H new ATOM 0 HG23 THR A 37 -17.856 -23.004 -5.356 1.00 99.99 H new ATOM 567 N LEU A 38 -19.311 -25.039 -5.588 1.00 16.66 N ATOM 568 CA LEU A 38 -18.724 -25.960 -6.600 1.00 16.66 C ATOM 569 C LEU A 38 -19.849 -26.558 -7.447 1.00 16.66 C ATOM 570 O LEU A 38 -19.678 -26.845 -8.615 1.00 16.66 O ATOM 571 CB LEU A 38 -17.965 -27.084 -5.891 1.00 50.00 C ATOM 572 CG LEU A 38 -16.760 -26.498 -5.153 1.00 50.00 C ATOM 573 CD1 LEU A 38 -15.895 -27.635 -4.605 1.00 50.00 C ATOM 574 CD2 LEU A 38 -15.933 -25.648 -6.120 1.00 50.00 C ATOM 0 H LEU A 38 -19.155 -25.305 -4.616 1.00 16.66 H new ATOM 0 HA LEU A 38 -18.035 -25.409 -7.241 1.00 16.66 H new ATOM 0 HB2 LEU A 38 -18.623 -27.594 -5.188 1.00 50.00 H new ATOM 0 HB3 LEU A 38 -17.635 -27.828 -6.616 1.00 50.00 H new ATOM 0 HG LEU A 38 -17.107 -25.876 -4.328 1.00 50.00 H new ATOM 0 HD11 LEU A 38 -15.036 -27.218 -4.079 1.00 50.00 H new ATOM 0 HD12 LEU A 38 -16.484 -28.240 -3.916 1.00 50.00 H new ATOM 0 HD13 LEU A 38 -15.548 -28.258 -5.429 1.00 50.00 H new ATOM 0 HD21 LEU A 38 -15.074 -25.230 -5.594 1.00 50.00 H new ATOM 0 HD22 LEU A 38 -15.586 -26.270 -6.945 1.00 50.00 H new ATOM 0 HD23 LEU A 38 -16.549 -24.838 -6.510 1.00 50.00 H new ATOM 586 N GLY A 39 -21.002 -26.746 -6.864 1.00 16.66 N ATOM 587 CA GLY A 39 -22.142 -27.322 -7.632 1.00 16.66 C ATOM 588 C GLY A 39 -21.848 -28.785 -7.967 1.00 16.66 C ATOM 589 O GLY A 39 -22.582 -29.423 -8.697 1.00 16.66 O ATOM 0 H GLY A 39 -21.203 -26.525 -5.889 1.00 16.66 H new ATOM 0 HA2 GLY A 39 -23.060 -27.249 -7.049 1.00 16.66 H new ATOM 0 HA3 GLY A 39 -22.301 -26.753 -8.548 1.00 16.66 H new ATOM 593 N SER A 40 -20.781 -29.324 -7.444 1.00 16.66 N ATOM 594 CA SER A 40 -20.446 -30.745 -7.739 1.00 16.66 C ATOM 595 C SER A 40 -19.573 -31.310 -6.617 1.00 16.66 C ATOM 596 O SER A 40 -18.485 -31.796 -6.850 1.00 16.66 O ATOM 597 CB SER A 40 -19.683 -30.818 -9.062 1.00 16.66 C ATOM 598 OG SER A 40 -20.544 -31.309 -10.079 1.00 16.66 O ATOM 0 H SER A 40 -20.128 -28.842 -6.826 1.00 16.66 H new ATOM 0 HA SER A 40 -21.364 -31.328 -7.811 1.00 16.66 H new ATOM 0 HB2 SER A 40 -19.309 -29.831 -9.333 1.00 16.66 H new ATOM 0 HB3 SER A 40 -18.816 -31.470 -8.958 1.00 16.66 H new ATOM 0 HG SER A 40 -21.429 -30.899 -9.984 1.00 16.66 H new ATOM 604 N ILE A 41 -20.041 -31.254 -5.399 1.00 16.66 N ATOM 605 CA ILE A 41 -19.232 -31.793 -4.271 1.00 16.66 C ATOM 606 C ILE A 41 -20.152 -32.495 -3.267 1.00 16.66 C ATOM 607 O ILE A 41 -21.361 -32.436 -3.369 1.00 16.66 O ATOM 608 CB ILE A 41 -18.484 -30.643 -3.580 1.00 16.66 C ATOM 609 CG1 ILE A 41 -17.299 -31.206 -2.793 1.00 16.66 C ATOM 610 CG2 ILE A 41 -19.423 -29.904 -2.620 1.00 50.00 C ATOM 611 CD1 ILE A 41 -16.297 -30.086 -2.512 1.00 16.66 C ATOM 0 H ILE A 41 -20.945 -30.860 -5.138 1.00 16.66 H new ATOM 0 HA ILE A 41 -18.508 -32.512 -4.654 1.00 16.66 H new ATOM 0 HB ILE A 41 -18.127 -29.946 -4.339 1.00 16.66 H new ATOM 0 HG12 ILE A 41 -17.645 -31.643 -1.856 1.00 16.66 H new ATOM 0 HG13 ILE A 41 -16.819 -32.005 -3.359 1.00 16.66 H new ATOM 0 HG21 ILE A 41 -18.882 -29.091 -2.136 1.00 50.00 H new ATOM 0 HG22 ILE A 41 -20.267 -29.497 -3.177 1.00 50.00 H new ATOM 0 HG23 ILE A 41 -19.789 -30.598 -1.863 1.00 50.00 H new ATOM 0 HD11 ILE A 41 -15.452 -30.486 -1.951 1.00 16.66 H new ATOM 0 HD12 ILE A 41 -15.942 -29.670 -3.455 1.00 16.66 H new ATOM 0 HD13 ILE A 41 -16.781 -29.302 -1.929 1.00 16.66 H new ATOM 623 N THR A 42 -19.585 -33.155 -2.297 1.00 16.66 N ATOM 624 CA THR A 42 -20.418 -33.859 -1.283 1.00 16.66 C ATOM 625 C THR A 42 -20.017 -33.372 0.104 1.00 16.66 C ATOM 626 O THR A 42 -18.983 -32.758 0.280 1.00 16.66 O ATOM 627 CB THR A 42 -20.190 -35.381 -1.365 1.00 16.66 C ATOM 628 OG1 THR A 42 -19.447 -35.815 -0.231 1.00 16.66 O ATOM 629 CG2 THR A 42 -19.412 -35.733 -2.635 1.00 16.66 C ATOM 0 H THR A 42 -18.577 -33.238 -2.162 1.00 16.66 H new ATOM 0 HA THR A 42 -21.470 -33.647 -1.474 1.00 16.66 H new ATOM 0 HB THR A 42 -21.160 -35.878 -1.387 1.00 16.66 H new ATOM 0 HG1 THR A 42 -18.792 -36.489 -0.508 1.00 16.66 H new ATOM 0 HG21 THR A 42 -19.258 -36.811 -2.680 1.00 16.66 H new ATOM 0 HG22 THR A 42 -19.977 -35.410 -3.509 1.00 16.66 H new ATOM 0 HG23 THR A 42 -18.446 -35.229 -2.621 1.00 16.66 H new ATOM 637 N PRO A 43 -20.839 -33.676 1.113 1.00 16.66 N ATOM 638 CA PRO A 43 -20.549 -33.290 2.491 1.00 16.66 C ATOM 639 C PRO A 43 -19.367 -34.097 3.020 1.00 16.66 C ATOM 640 O PRO A 43 -18.575 -33.625 3.811 1.00 16.66 O ATOM 641 CB PRO A 43 -21.827 -33.657 3.245 1.00 50.00 C ATOM 642 CG PRO A 43 -22.451 -34.733 2.420 1.00 50.00 C ATOM 643 CD PRO A 43 -22.106 -34.416 0.992 1.00 50.00 C ATOM 0 HA PRO A 43 -20.284 -32.238 2.597 1.00 16.66 H new ATOM 0 HB2 PRO A 43 -21.606 -34.007 4.253 1.00 50.00 H new ATOM 0 HB3 PRO A 43 -22.490 -32.798 3.344 1.00 50.00 H new ATOM 0 HG2 PRO A 43 -22.069 -35.713 2.705 1.00 50.00 H new ATOM 0 HG3 PRO A 43 -23.531 -34.758 2.564 1.00 50.00 H new ATOM 0 HD2 PRO A 43 -21.990 -35.320 0.395 1.00 50.00 H new ATOM 0 HD3 PRO A 43 -22.880 -33.816 0.514 1.00 50.00 H new ATOM 651 N ASP A 44 -19.251 -35.322 2.584 1.00 16.66 N ATOM 652 CA ASP A 44 -18.133 -36.185 3.051 1.00 16.66 C ATOM 653 C ASP A 44 -16.795 -35.591 2.609 1.00 16.66 C ATOM 654 O ASP A 44 -15.775 -35.816 3.232 1.00 16.66 O ATOM 655 CB ASP A 44 -18.288 -37.586 2.456 1.00 50.00 C ATOM 656 CG ASP A 44 -19.495 -38.279 3.090 1.00 50.00 C ATOM 657 OD1 ASP A 44 -20.004 -37.760 4.069 1.00 50.00 O ATOM 658 OD2 ASP A 44 -19.890 -39.318 2.587 1.00 50.00 O ATOM 0 H ASP A 44 -19.888 -35.763 1.920 1.00 16.66 H new ATOM 0 HA ASP A 44 -18.157 -36.243 4.139 1.00 16.66 H new ATOM 0 HB2 ASP A 44 -18.418 -37.521 1.376 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -17.385 -38.170 2.634 1.00 50.00 H new ATOM 663 N GLU A 45 -16.778 -34.830 1.547 1.00 16.66 N ATOM 664 CA GLU A 45 -15.495 -34.230 1.094 1.00 16.66 C ATOM 665 C GLU A 45 -15.220 -32.993 1.939 1.00 16.66 C ATOM 666 O GLU A 45 -14.096 -32.708 2.303 1.00 16.66 O ATOM 667 CB GLU A 45 -15.606 -33.834 -0.380 1.00 16.66 C ATOM 668 CG GLU A 45 -15.726 -35.093 -1.238 1.00 16.66 C ATOM 669 CD GLU A 45 -15.560 -34.722 -2.714 1.00 16.66 C ATOM 670 OE1 GLU A 45 -15.226 -33.581 -2.984 1.00 16.66 O ATOM 671 OE2 GLU A 45 -15.771 -35.586 -3.549 1.00 16.66 O ATOM 0 H GLU A 45 -17.593 -34.600 0.978 1.00 16.66 H new ATOM 0 HA GLU A 45 -14.683 -34.948 1.206 1.00 16.66 H new ATOM 0 HB2 GLU A 45 -16.475 -33.194 -0.531 1.00 16.66 H new ATOM 0 HB3 GLU A 45 -14.730 -33.259 -0.680 1.00 16.66 H new ATOM 0 HG2 GLU A 45 -14.966 -35.818 -0.947 1.00 16.66 H new ATOM 0 HG3 GLU A 45 -16.695 -35.565 -1.077 1.00 16.66 H new ATOM 678 N VAL A 46 -16.247 -32.262 2.263 1.00 16.66 N ATOM 679 CA VAL A 46 -16.061 -31.047 3.097 1.00 16.66 C ATOM 680 C VAL A 46 -15.567 -31.466 4.481 1.00 16.66 C ATOM 681 O VAL A 46 -14.750 -30.805 5.090 1.00 16.66 O ATOM 682 CB VAL A 46 -17.391 -30.308 3.231 1.00 50.00 C ATOM 683 CG1 VAL A 46 -17.268 -29.224 4.303 1.00 50.00 C ATOM 684 CG2 VAL A 46 -17.748 -29.664 1.892 1.00 50.00 C ATOM 0 H VAL A 46 -17.209 -32.455 1.985 1.00 16.66 H new ATOM 0 HA VAL A 46 -15.331 -30.387 2.628 1.00 16.66 H new ATOM 0 HB VAL A 46 -18.172 -31.012 3.518 1.00 50.00 H new ATOM 0 HG11 VAL A 46 -18.217 -28.697 4.398 1.00 50.00 H new ATOM 0 HG12 VAL A 46 -17.011 -29.684 5.257 1.00 50.00 H new ATOM 0 HG13 VAL A 46 -16.488 -28.518 4.019 1.00 50.00 H new ATOM 0 HG21 VAL A 46 -18.697 -29.136 1.984 1.00 50.00 H new ATOM 0 HG22 VAL A 46 -16.966 -28.960 1.607 1.00 50.00 H new ATOM 0 HG23 VAL A 46 -17.836 -30.437 1.128 1.00 50.00 H new ATOM 694 N LYS A 47 -16.053 -32.570 4.975 1.00 16.66 N ATOM 695 CA LYS A 47 -15.608 -33.046 6.313 1.00 16.66 C ATOM 696 C LYS A 47 -14.145 -33.472 6.221 1.00 16.66 C ATOM 697 O LYS A 47 -13.357 -33.232 7.116 1.00 16.66 O ATOM 698 CB LYS A 47 -16.464 -34.238 6.746 1.00 16.66 C ATOM 699 CG LYS A 47 -17.886 -33.762 7.052 1.00 16.66 C ATOM 700 CD LYS A 47 -18.703 -34.925 7.619 1.00 16.66 C ATOM 701 CE LYS A 47 -20.185 -34.544 7.642 1.00 50.00 C ATOM 702 NZ LYS A 47 -20.933 -35.506 8.499 1.00 50.00 N ATOM 0 H LYS A 47 -16.740 -33.163 4.509 1.00 16.66 H new ATOM 0 HA LYS A 47 -15.716 -32.246 7.046 1.00 16.66 H new ATOM 0 HB2 LYS A 47 -16.483 -34.991 5.958 1.00 16.66 H new ATOM 0 HB3 LYS A 47 -16.030 -34.710 7.627 1.00 16.66 H new ATOM 0 HG2 LYS A 47 -17.860 -32.940 7.767 1.00 16.66 H new ATOM 0 HG3 LYS A 47 -18.356 -33.381 6.145 1.00 16.66 H new ATOM 0 HD2 LYS A 47 -18.555 -35.818 7.011 1.00 16.66 H new ATOM 0 HD3 LYS A 47 -18.363 -35.166 8.626 1.00 16.66 H new ATOM 0 HE2 LYS A 47 -20.305 -33.530 8.025 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -20.589 -34.552 6.630 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -21.940 -35.247 8.514 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -20.829 -36.467 8.115 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -20.553 -35.477 9.467 1.00 50.00 H new ATOM 716 N HIS A 48 -13.775 -34.094 5.138 1.00 16.66 N ATOM 717 CA HIS A 48 -12.362 -34.530 4.974 1.00 16.66 C ATOM 718 C HIS A 48 -11.469 -33.294 4.864 1.00 16.66 C ATOM 719 O HIS A 48 -10.395 -33.240 5.431 1.00 16.66 O ATOM 720 CB HIS A 48 -12.231 -35.369 3.703 1.00 16.66 C ATOM 721 CG HIS A 48 -10.814 -35.853 3.564 1.00 16.66 C ATOM 722 ND1 HIS A 48 -10.302 -36.304 2.358 1.00 16.66 N ATOM 723 CD2 HIS A 48 -9.790 -35.964 4.472 1.00 16.66 C ATOM 724 CE1 HIS A 48 -9.023 -36.662 2.568 1.00 50.00 C ATOM 725 NE2 HIS A 48 -8.659 -36.475 3.840 1.00 50.00 N ATOM 0 H HIS A 48 -14.392 -34.320 4.358 1.00 16.66 H new ATOM 0 HA HIS A 48 -12.059 -35.129 5.833 1.00 16.66 H new ATOM 0 HB2 HIS A 48 -12.914 -36.218 3.743 1.00 16.66 H new ATOM 0 HB3 HIS A 48 -12.511 -34.776 2.833 1.00 16.66 H new ATOM 0 HD2 HIS A 48 -9.852 -35.696 5.516 1.00 16.66 H new ATOM 0 HE1 HIS A 48 -8.370 -37.053 1.802 1.00 50.00 H new ATOM 0 HE2 HIS A 48 -7.748 -36.666 4.258 1.00 50.00 H new ATOM 733 N MET A 49 -11.906 -32.295 4.146 1.00 16.66 N ATOM 734 CA MET A 49 -11.085 -31.066 4.012 1.00 16.66 C ATOM 735 C MET A 49 -10.878 -30.457 5.396 1.00 16.66 C ATOM 736 O MET A 49 -9.783 -30.082 5.766 1.00 16.66 O ATOM 737 CB MET A 49 -11.814 -30.066 3.118 1.00 16.66 C ATOM 738 CG MET A 49 -11.588 -30.436 1.650 1.00 16.66 C ATOM 739 SD MET A 49 -11.945 -29.002 0.605 1.00 16.66 S ATOM 740 CE MET A 49 -12.722 -29.903 -0.758 1.00 16.66 C ATOM 0 H MET A 49 -12.796 -32.280 3.648 1.00 16.66 H new ATOM 0 HA MET A 49 -10.120 -31.310 3.568 1.00 16.66 H new ATOM 0 HB2 MET A 49 -12.880 -30.069 3.345 1.00 16.66 H new ATOM 0 HB3 MET A 49 -11.450 -29.057 3.310 1.00 16.66 H new ATOM 0 HG2 MET A 49 -10.559 -30.761 1.500 1.00 16.66 H new ATOM 0 HG3 MET A 49 -12.230 -31.271 1.371 1.00 16.66 H new ATOM 0 HE1 MET A 49 -13.027 -29.199 -1.532 1.00 16.66 H new ATOM 0 HE2 MET A 49 -12.011 -30.616 -1.175 1.00 16.66 H new ATOM 0 HE3 MET A 49 -13.597 -30.438 -0.389 1.00 16.66 H new ATOM 750 N MET A 50 -11.925 -30.365 6.163 1.00 16.66 N ATOM 751 CA MET A 50 -11.800 -29.792 7.527 1.00 16.66 C ATOM 752 C MET A 50 -10.853 -30.664 8.348 1.00 16.66 C ATOM 753 O MET A 50 -9.942 -30.183 8.986 1.00 16.66 O ATOM 754 CB MET A 50 -13.177 -29.764 8.191 1.00 16.66 C ATOM 755 CG MET A 50 -13.917 -28.489 7.778 1.00 16.66 C ATOM 756 SD MET A 50 -15.298 -28.199 8.912 1.00 16.66 S ATOM 757 CE MET A 50 -14.330 -27.490 10.266 1.00 50.00 C ATOM 0 H MET A 50 -12.865 -30.663 5.902 1.00 16.66 H new ATOM 0 HA MET A 50 -11.406 -28.777 7.469 1.00 16.66 H new ATOM 0 HB2 MET A 50 -13.752 -30.642 7.897 1.00 16.66 H new ATOM 0 HB3 MET A 50 -13.071 -29.800 9.275 1.00 16.66 H new ATOM 0 HG2 MET A 50 -13.235 -27.639 7.793 1.00 16.66 H new ATOM 0 HG3 MET A 50 -14.285 -28.584 6.756 1.00 16.66 H new ATOM 0 HE1 MET A 50 -14.964 -26.832 10.861 1.00 50.00 H new ATOM 0 HE2 MET A 50 -13.946 -28.291 10.897 1.00 50.00 H new ATOM 0 HE3 MET A 50 -13.497 -26.919 9.857 1.00 50.00 H new ATOM 767 N ALA A 51 -11.057 -31.948 8.324 1.00 16.66 N ATOM 768 CA ALA A 51 -10.167 -32.862 9.094 1.00 16.66 C ATOM 769 C ALA A 51 -8.721 -32.661 8.634 1.00 16.66 C ATOM 770 O ALA A 51 -7.784 -32.995 9.331 1.00 16.66 O ATOM 771 CB ALA A 51 -10.585 -34.312 8.848 1.00 50.00 C ATOM 0 H ALA A 51 -11.804 -32.408 7.803 1.00 16.66 H new ATOM 0 HA ALA A 51 -10.248 -32.640 10.158 1.00 16.66 H new ATOM 0 HB1 ALA A 51 -9.933 -34.979 9.412 1.00 50.00 H new ATOM 0 HB2 ALA A 51 -11.616 -34.453 9.172 1.00 50.00 H new ATOM 0 HB3 ALA A 51 -10.504 -34.539 7.785 1.00 50.00 H new ATOM 777 N GLU A 52 -8.535 -32.113 7.464 1.00 16.66 N ATOM 778 CA GLU A 52 -7.153 -31.886 6.958 1.00 16.66 C ATOM 779 C GLU A 52 -6.743 -30.443 7.253 1.00 16.66 C ATOM 780 O GLU A 52 -5.602 -30.158 7.557 1.00 16.66 O ATOM 781 CB GLU A 52 -7.115 -32.129 5.447 1.00 16.66 C ATOM 782 CG GLU A 52 -6.985 -33.629 5.175 1.00 16.66 C ATOM 783 CD GLU A 52 -6.581 -33.849 3.716 1.00 16.66 C ATOM 784 OE1 GLU A 52 -6.403 -32.866 3.016 1.00 16.66 O ATOM 785 OE2 GLU A 52 -6.458 -34.997 3.323 1.00 16.66 O ATOM 0 H GLU A 52 -9.281 -31.813 6.837 1.00 16.66 H new ATOM 0 HA GLU A 52 -6.464 -32.572 7.451 1.00 16.66 H new ATOM 0 HB2 GLU A 52 -8.022 -31.742 4.983 1.00 16.66 H new ATOM 0 HB3 GLU A 52 -6.276 -31.594 5.003 1.00 16.66 H new ATOM 0 HG2 GLU A 52 -6.240 -34.067 5.840 1.00 16.66 H new ATOM 0 HG3 GLU A 52 -7.931 -34.130 5.381 1.00 16.66 H new ATOM 792 N ILE A 53 -7.671 -29.535 7.165 1.00 16.66 N ATOM 793 CA ILE A 53 -7.356 -28.108 7.438 1.00 16.66 C ATOM 794 C ILE A 53 -7.384 -27.851 8.945 1.00 16.66 C ATOM 795 O ILE A 53 -6.677 -27.005 9.455 1.00 16.66 O ATOM 796 CB ILE A 53 -8.408 -27.239 6.760 1.00 16.66 C ATOM 797 CG1 ILE A 53 -8.363 -27.475 5.252 1.00 16.66 C ATOM 798 CG2 ILE A 53 -8.122 -25.771 7.067 1.00 16.66 C ATOM 799 CD1 ILE A 53 -9.485 -26.688 4.579 1.00 50.00 C ATOM 0 H ILE A 53 -8.642 -29.722 6.914 1.00 16.66 H new ATOM 0 HA ILE A 53 -6.364 -27.869 7.053 1.00 16.66 H new ATOM 0 HB ILE A 53 -9.399 -27.497 7.133 1.00 16.66 H new ATOM 0 HG12 ILE A 53 -7.397 -27.165 4.853 1.00 16.66 H new ATOM 0 HG13 ILE A 53 -8.470 -28.538 5.036 1.00 16.66 H new ATOM 0 HG21 ILE A 53 -8.872 -25.145 6.584 1.00 16.66 H new ATOM 0 HG22 ILE A 53 -8.156 -25.611 8.145 1.00 16.66 H new ATOM 0 HG23 ILE A 53 -7.133 -25.507 6.692 1.00 16.66 H new ATOM 0 HD11 ILE A 53 -9.453 -26.857 3.503 1.00 50.00 H new ATOM 0 HD12 ILE A 53 -10.447 -27.020 4.970 1.00 50.00 H new ATOM 0 HD13 ILE A 53 -9.357 -25.625 4.784 1.00 50.00 H new ATOM 811 N ASP A 54 -8.197 -28.574 9.658 1.00 16.66 N ATOM 812 CA ASP A 54 -8.289 -28.389 11.129 1.00 16.66 C ATOM 813 C ASP A 54 -6.927 -28.689 11.763 1.00 16.66 C ATOM 814 O ASP A 54 -6.545 -29.830 11.929 1.00 16.66 O ATOM 815 CB ASP A 54 -9.343 -29.358 11.665 1.00 16.66 C ATOM 816 CG ASP A 54 -9.950 -28.814 12.958 1.00 16.66 C ATOM 817 OD1 ASP A 54 -9.673 -27.675 13.283 1.00 16.66 O ATOM 818 OD2 ASP A 54 -10.691 -29.543 13.594 1.00 16.66 O ATOM 0 H ASP A 54 -8.810 -29.295 9.278 1.00 16.66 H new ATOM 0 HA ASP A 54 -8.570 -27.364 11.372 1.00 16.66 H new ATOM 0 HB2 ASP A 54 -10.126 -29.504 10.920 1.00 16.66 H new ATOM 0 HB3 ASP A 54 -8.892 -30.333 11.848 1.00 16.66 H new ATOM 823 N THR A 55 -6.183 -27.670 12.100 1.00 16.66 N ATOM 824 CA THR A 55 -4.835 -27.888 12.704 1.00 16.66 C ATOM 825 C THR A 55 -4.958 -28.369 14.151 1.00 16.66 C ATOM 826 O THR A 55 -4.315 -29.318 14.552 1.00 16.66 O ATOM 827 CB THR A 55 -4.049 -26.575 12.680 1.00 50.00 C ATOM 828 OG1 THR A 55 -4.743 -25.595 13.438 1.00 50.00 O ATOM 829 CG2 THR A 55 -3.893 -26.095 11.237 1.00 50.00 C ATOM 0 H THR A 55 -6.451 -26.693 11.983 1.00 16.66 H new ATOM 0 HA THR A 55 -4.316 -28.650 12.123 1.00 16.66 H new ATOM 0 HB THR A 55 -3.062 -26.735 13.113 1.00 50.00 H new ATOM 0 HG1 THR A 55 -5.697 -25.816 13.463 1.00 50.00 H new ATOM 0 HG21 THR A 55 -3.333 -25.160 11.223 1.00 50.00 H new ATOM 0 HG22 THR A 55 -3.357 -26.848 10.659 1.00 50.00 H new ATOM 0 HG23 THR A 55 -4.878 -25.935 10.798 1.00 50.00 H new ATOM 837 N ASP A 56 -5.762 -27.719 14.942 1.00 16.66 N ATOM 838 CA ASP A 56 -5.899 -28.147 16.367 1.00 16.66 C ATOM 839 C ASP A 56 -6.936 -29.268 16.479 1.00 16.66 C ATOM 840 O ASP A 56 -6.856 -30.112 17.350 1.00 16.66 O ATOM 841 CB ASP A 56 -6.315 -26.955 17.235 1.00 16.66 C ATOM 842 CG ASP A 56 -7.754 -26.551 16.916 1.00 16.66 C ATOM 843 OD1 ASP A 56 -8.164 -26.742 15.787 1.00 16.66 O ATOM 844 OD2 ASP A 56 -8.418 -26.053 17.808 1.00 16.66 O ATOM 0 H ASP A 56 -6.328 -26.915 14.670 1.00 16.66 H new ATOM 0 HA ASP A 56 -4.937 -28.520 16.719 1.00 16.66 H new ATOM 0 HB2 ASP A 56 -6.227 -27.215 18.290 1.00 16.66 H new ATOM 0 HB3 ASP A 56 -5.645 -26.114 17.057 1.00 16.66 H new ATOM 849 N GLY A 57 -7.898 -29.301 15.598 1.00 16.66 N ATOM 850 CA GLY A 57 -8.919 -30.387 15.654 1.00 16.66 C ATOM 851 C GLY A 57 -10.116 -29.959 16.509 1.00 16.66 C ATOM 852 O GLY A 57 -10.789 -30.783 17.094 1.00 16.66 O ATOM 0 H GLY A 57 -8.022 -28.626 14.844 1.00 16.66 H new ATOM 0 HA2 GLY A 57 -9.254 -30.631 14.646 1.00 16.66 H new ATOM 0 HA3 GLY A 57 -8.474 -31.291 16.069 1.00 16.66 H new ATOM 856 N ASP A 58 -10.395 -28.685 16.590 1.00 16.66 N ATOM 857 CA ASP A 58 -11.558 -28.242 17.412 1.00 16.66 C ATOM 858 C ASP A 58 -12.843 -28.363 16.587 1.00 16.66 C ATOM 859 O ASP A 58 -13.931 -28.145 17.081 1.00 16.66 O ATOM 860 CB ASP A 58 -11.363 -26.791 17.858 1.00 50.00 C ATOM 861 CG ASP A 58 -11.559 -25.857 16.665 1.00 50.00 C ATOM 862 OD1 ASP A 58 -11.016 -26.152 15.616 1.00 50.00 O ATOM 863 OD2 ASP A 58 -12.248 -24.863 16.822 1.00 50.00 O ATOM 0 H ASP A 58 -9.874 -27.939 16.128 1.00 16.66 H new ATOM 0 HA ASP A 58 -11.634 -28.875 18.296 1.00 16.66 H new ATOM 0 HB2 ASP A 58 -12.074 -26.544 18.647 1.00 50.00 H new ATOM 0 HB3 ASP A 58 -10.365 -26.659 18.276 1.00 50.00 H new ATOM 868 N GLY A 59 -12.727 -28.724 15.336 1.00 16.66 N ATOM 869 CA GLY A 59 -13.944 -28.873 14.488 1.00 16.66 C ATOM 870 C GLY A 59 -14.134 -27.635 13.607 1.00 16.66 C ATOM 871 O GLY A 59 -14.993 -27.607 12.747 1.00 16.66 O ATOM 0 H GLY A 59 -11.843 -28.922 14.866 1.00 16.66 H new ATOM 0 HA2 GLY A 59 -13.853 -29.762 13.863 1.00 16.66 H new ATOM 0 HA3 GLY A 59 -14.820 -29.016 15.120 1.00 16.66 H new ATOM 875 N PHE A 60 -13.354 -26.609 13.812 1.00 16.66 N ATOM 876 CA PHE A 60 -13.520 -25.384 12.978 1.00 16.66 C ATOM 877 C PHE A 60 -12.173 -24.914 12.423 1.00 16.66 C ATOM 878 O PHE A 60 -11.117 -25.136 13.004 1.00 16.66 O ATOM 879 CB PHE A 60 -14.117 -24.260 13.824 1.00 50.00 C ATOM 880 CG PHE A 60 -15.333 -24.762 14.559 1.00 50.00 C ATOM 881 CD1 PHE A 60 -16.542 -24.927 13.877 1.00 50.00 C ATOM 882 CD2 PHE A 60 -15.251 -25.058 15.924 1.00 50.00 C ATOM 883 CE1 PHE A 60 -17.672 -25.389 14.560 1.00 50.00 C ATOM 884 CE2 PHE A 60 -16.380 -25.519 16.607 1.00 50.00 C ATOM 885 CZ PHE A 60 -17.592 -25.686 15.925 1.00 50.00 C ATOM 0 H PHE A 60 -12.615 -26.565 14.514 1.00 16.66 H new ATOM 0 HA PHE A 60 -14.184 -25.628 12.149 1.00 16.66 H new ATOM 0 HB2 PHE A 60 -13.376 -23.896 14.535 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -14.388 -23.418 13.187 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -16.604 -24.698 12.823 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -14.316 -24.930 16.449 1.00 50.00 H new ATOM 0 HE1 PHE A 60 -18.606 -25.516 14.034 1.00 50.00 H new ATOM 0 HE2 PHE A 60 -16.318 -25.747 17.661 1.00 50.00 H new ATOM 0 HZ PHE A 60 -18.464 -26.044 16.452 1.00 50.00 H new ATOM 895 N ILE A 61 -12.207 -24.238 11.307 1.00 16.66 N ATOM 896 CA ILE A 61 -10.956 -23.718 10.709 1.00 16.66 C ATOM 897 C ILE A 61 -10.890 -22.211 10.974 1.00 16.66 C ATOM 898 O ILE A 61 -11.829 -21.487 10.712 1.00 16.66 O ATOM 899 CB ILE A 61 -10.964 -23.974 9.200 1.00 16.66 C ATOM 900 CG1 ILE A 61 -11.264 -25.452 8.931 1.00 16.66 C ATOM 901 CG2 ILE A 61 -9.597 -23.614 8.616 1.00 16.66 C ATOM 902 CD1 ILE A 61 -10.266 -26.329 9.692 1.00 16.66 C ATOM 0 H ILE A 61 -13.056 -24.025 10.784 1.00 16.66 H new ATOM 0 HA ILE A 61 -10.092 -24.217 11.147 1.00 16.66 H new ATOM 0 HB ILE A 61 -11.733 -23.359 8.732 1.00 16.66 H new ATOM 0 HG12 ILE A 61 -12.282 -25.689 9.242 1.00 16.66 H new ATOM 0 HG13 ILE A 61 -11.201 -25.657 7.862 1.00 16.66 H new ATOM 0 HG21 ILE A 61 -9.601 -23.796 7.541 1.00 16.66 H new ATOM 0 HG22 ILE A 61 -9.386 -22.561 8.805 1.00 16.66 H new ATOM 0 HG23 ILE A 61 -8.828 -24.228 9.085 1.00 16.66 H new ATOM 0 HD11 ILE A 61 -10.483 -27.379 9.498 1.00 16.66 H new ATOM 0 HD12 ILE A 61 -9.253 -26.100 9.360 1.00 16.66 H new ATOM 0 HD13 ILE A 61 -10.350 -26.133 10.761 1.00 16.66 H new ATOM 914 N SER A 62 -9.795 -21.733 11.489 1.00 16.66 N ATOM 915 CA SER A 62 -9.679 -20.278 11.766 1.00 16.66 C ATOM 916 C SER A 62 -8.933 -19.617 10.613 1.00 16.66 C ATOM 917 O SER A 62 -8.316 -20.278 9.802 1.00 16.66 O ATOM 918 CB SER A 62 -8.903 -20.065 13.067 1.00 16.66 C ATOM 919 OG SER A 62 -8.185 -21.247 13.390 1.00 16.66 O ATOM 0 H SER A 62 -8.974 -22.288 11.730 1.00 16.66 H new ATOM 0 HA SER A 62 -10.672 -19.839 11.866 1.00 16.66 H new ATOM 0 HB2 SER A 62 -8.215 -19.227 12.959 1.00 16.66 H new ATOM 0 HB3 SER A 62 -9.589 -19.812 13.875 1.00 16.66 H new ATOM 0 HG SER A 62 -7.687 -21.110 14.223 1.00 16.66 H new ATOM 925 N PHE A 63 -8.982 -18.320 10.526 1.00 16.66 N ATOM 926 CA PHE A 63 -8.268 -17.641 9.417 1.00 16.66 C ATOM 927 C PHE A 63 -6.815 -18.098 9.424 1.00 16.66 C ATOM 928 O PHE A 63 -6.230 -18.378 8.397 1.00 16.66 O ATOM 929 CB PHE A 63 -8.325 -16.127 9.604 1.00 16.66 C ATOM 930 CG PHE A 63 -7.594 -15.479 8.459 1.00 16.66 C ATOM 931 CD1 PHE A 63 -7.964 -15.780 7.144 1.00 16.66 C ATOM 932 CD2 PHE A 63 -6.541 -14.593 8.706 1.00 16.66 C ATOM 933 CE1 PHE A 63 -7.285 -15.191 6.075 1.00 16.66 C ATOM 934 CE2 PHE A 63 -5.859 -14.004 7.636 1.00 16.66 C ATOM 935 CZ PHE A 63 -6.232 -14.303 6.319 1.00 16.66 C ATOM 0 H PHE A 63 -9.481 -17.706 11.169 1.00 16.66 H new ATOM 0 HA PHE A 63 -8.740 -17.895 8.468 1.00 16.66 H new ATOM 0 HB2 PHE A 63 -9.360 -15.787 9.634 1.00 16.66 H new ATOM 0 HB3 PHE A 63 -7.869 -15.845 10.553 1.00 16.66 H new ATOM 0 HD1 PHE A 63 -8.775 -16.468 6.955 1.00 16.66 H new ATOM 0 HD2 PHE A 63 -6.254 -14.364 9.722 1.00 16.66 H new ATOM 0 HE1 PHE A 63 -7.573 -15.421 5.060 1.00 16.66 H new ATOM 0 HE2 PHE A 63 -5.045 -13.319 7.825 1.00 16.66 H new ATOM 0 HZ PHE A 63 -5.707 -13.848 5.492 1.00 16.66 H new ATOM 945 N GLN A 64 -6.231 -18.182 10.585 1.00 16.66 N ATOM 946 CA GLN A 64 -4.819 -18.628 10.682 1.00 16.66 C ATOM 947 C GLN A 64 -4.697 -20.042 10.110 1.00 16.66 C ATOM 948 O GLN A 64 -3.835 -20.323 9.301 1.00 16.66 O ATOM 949 CB GLN A 64 -4.403 -18.629 12.152 1.00 16.66 C ATOM 950 CG GLN A 64 -2.898 -18.884 12.259 1.00 16.66 C ATOM 951 CD GLN A 64 -2.135 -17.662 11.746 1.00 50.00 C ATOM 952 OE1 GLN A 64 -2.331 -16.563 12.226 1.00 50.00 O ATOM 953 NE2 GLN A 64 -1.266 -17.807 10.783 1.00 50.00 N ATOM 0 H GLN A 64 -6.676 -17.959 11.475 1.00 16.66 H new ATOM 0 HA GLN A 64 -4.173 -17.955 10.118 1.00 16.66 H new ATOM 0 HB2 GLN A 64 -4.654 -17.673 12.612 1.00 16.66 H new ATOM 0 HB3 GLN A 64 -4.952 -19.398 12.695 1.00 16.66 H new ATOM 0 HG2 GLN A 64 -2.626 -19.087 13.295 1.00 16.66 H new ATOM 0 HG3 GLN A 64 -2.626 -19.766 11.679 1.00 16.66 H new ATOM 0 HE21 GLN A 64 -1.101 -18.729 10.380 1.00 50.00 H new ATOM 0 HE22 GLN A 64 -0.752 -16.998 10.434 1.00 50.00 H new ATOM 962 N GLU A 65 -5.560 -20.934 10.519 1.00 16.66 N ATOM 963 CA GLU A 65 -5.500 -22.326 9.996 1.00 16.66 C ATOM 964 C GLU A 65 -5.688 -22.299 8.480 1.00 16.66 C ATOM 965 O GLU A 65 -4.952 -22.919 7.738 1.00 16.66 O ATOM 966 CB GLU A 65 -6.623 -23.151 10.627 1.00 16.66 C ATOM 967 CG GLU A 65 -6.192 -23.649 12.009 1.00 16.66 C ATOM 968 CD GLU A 65 -7.334 -24.451 12.640 1.00 16.66 C ATOM 969 OE1 GLU A 65 -8.471 -24.152 12.353 1.00 16.66 O ATOM 970 OE2 GLU A 65 -7.055 -25.350 13.401 1.00 16.66 O ATOM 0 H GLU A 65 -6.304 -20.756 11.194 1.00 16.66 H new ATOM 0 HA GLU A 65 -4.535 -22.771 10.241 1.00 16.66 H new ATOM 0 HB2 GLU A 65 -7.525 -22.546 10.714 1.00 16.66 H new ATOM 0 HB3 GLU A 65 -6.868 -23.998 9.986 1.00 16.66 H new ATOM 0 HG2 GLU A 65 -5.301 -24.271 11.922 1.00 16.66 H new ATOM 0 HG3 GLU A 65 -5.930 -22.805 12.647 1.00 16.66 H new ATOM 977 N PHE A 66 -6.671 -21.580 8.019 1.00 16.66 N ATOM 978 CA PHE A 66 -6.918 -21.502 6.553 1.00 16.66 C ATOM 979 C PHE A 66 -5.708 -20.862 5.873 1.00 16.66 C ATOM 980 O PHE A 66 -5.336 -21.223 4.773 1.00 16.66 O ATOM 981 CB PHE A 66 -8.162 -20.652 6.296 1.00 16.66 C ATOM 982 CG PHE A 66 -8.468 -20.633 4.818 1.00 16.66 C ATOM 983 CD1 PHE A 66 -7.857 -19.684 3.990 1.00 16.66 C ATOM 984 CD2 PHE A 66 -9.364 -21.561 4.277 1.00 16.66 C ATOM 985 CE1 PHE A 66 -8.143 -19.664 2.620 1.00 16.66 C ATOM 986 CE2 PHE A 66 -9.651 -21.540 2.907 1.00 16.66 C ATOM 987 CZ PHE A 66 -9.040 -20.591 2.078 1.00 16.66 C ATOM 0 H PHE A 66 -7.317 -21.041 8.596 1.00 16.66 H new ATOM 0 HA PHE A 66 -7.074 -22.503 6.150 1.00 16.66 H new ATOM 0 HB2 PHE A 66 -9.011 -21.056 6.848 1.00 16.66 H new ATOM 0 HB3 PHE A 66 -8.001 -19.636 6.657 1.00 16.66 H new ATOM 0 HD1 PHE A 66 -7.165 -18.968 4.408 1.00 16.66 H new ATOM 0 HD2 PHE A 66 -9.834 -22.294 4.916 1.00 16.66 H new ATOM 0 HE1 PHE A 66 -7.671 -18.933 1.981 1.00 16.66 H new ATOM 0 HE2 PHE A 66 -10.344 -22.256 2.489 1.00 16.66 H new ATOM 0 HZ PHE A 66 -9.261 -20.575 1.021 1.00 16.66 H new ATOM 997 N THR A 67 -5.087 -19.919 6.523 1.00 16.66 N ATOM 998 CA THR A 67 -3.895 -19.259 5.921 1.00 16.66 C ATOM 999 C THR A 67 -2.754 -20.273 5.828 1.00 16.66 C ATOM 1000 O THR A 67 -2.123 -20.421 4.800 1.00 16.66 O ATOM 1001 CB THR A 67 -3.465 -18.081 6.801 1.00 50.00 C ATOM 1002 OG1 THR A 67 -4.396 -17.018 6.652 1.00 50.00 O ATOM 1003 CG2 THR A 67 -2.073 -17.606 6.378 1.00 50.00 C ATOM 0 H THR A 67 -5.353 -19.576 7.446 1.00 16.66 H new ATOM 0 HA THR A 67 -4.141 -18.893 4.924 1.00 16.66 H new ATOM 0 HB THR A 67 -3.436 -18.397 7.844 1.00 50.00 H new ATOM 0 HG1 THR A 67 -5.200 -17.211 7.177 1.00 50.00 H new ATOM 0 HG21 THR A 67 -1.768 -16.768 7.005 1.00 50.00 H new ATOM 0 HG22 THR A 67 -1.360 -18.422 6.492 1.00 50.00 H new ATOM 0 HG23 THR A 67 -2.098 -17.289 5.335 1.00 50.00 H new ATOM 1011 N ASP A 68 -2.487 -20.976 6.895 1.00 25.00 N ATOM 1012 CA ASP A 68 -1.389 -21.983 6.866 1.00 25.00 C ATOM 1013 C ASP A 68 -1.699 -23.036 5.801 1.00 25.00 C ATOM 1014 O ASP A 68 -0.822 -23.504 5.103 1.00 25.00 O ATOM 1015 CB ASP A 68 -1.278 -22.657 8.235 1.00 25.00 C ATOM 1016 CG ASP A 68 -1.027 -21.596 9.308 1.00 25.00 C ATOM 1017 OD1 ASP A 68 -0.499 -20.550 8.966 1.00 50.00 O ATOM 1018 OD2 ASP A 68 -1.367 -21.846 10.452 1.00 50.00 O ATOM 0 H ASP A 68 -2.981 -20.897 7.784 1.00 25.00 H new ATOM 0 HA ASP A 68 -0.446 -21.490 6.629 1.00 25.00 H new ATOM 0 HB2 ASP A 68 -2.194 -23.205 8.458 1.00 25.00 H new ATOM 0 HB3 ASP A 68 -0.465 -23.383 8.230 1.00 25.00 H new ATOM 1023 N PHE A 69 -2.941 -23.408 5.671 1.00 25.00 N ATOM 1024 CA PHE A 69 -3.316 -24.423 4.655 1.00 25.00 C ATOM 1025 C PHE A 69 -3.339 -23.748 3.278 1.00 25.00 C ATOM 1026 O PHE A 69 -2.933 -24.322 2.286 1.00 25.00 O ATOM 1027 CB PHE A 69 -4.697 -24.997 5.025 1.00 25.00 C ATOM 1028 CG PHE A 69 -5.497 -25.316 3.786 1.00 25.00 C ATOM 1029 CD1 PHE A 69 -6.070 -24.278 3.049 1.00 25.00 C ATOM 1030 CD2 PHE A 69 -5.659 -26.642 3.376 1.00 25.00 C ATOM 1031 CE1 PHE A 69 -6.808 -24.564 1.896 1.00 50.00 C ATOM 1032 CE2 PHE A 69 -6.397 -26.931 2.224 1.00 50.00 C ATOM 1033 CZ PHE A 69 -6.973 -25.892 1.483 1.00 50.00 C ATOM 0 H PHE A 69 -3.715 -23.049 6.229 1.00 25.00 H new ATOM 0 HA PHE A 69 -2.598 -25.242 4.626 1.00 25.00 H new ATOM 0 HB2 PHE A 69 -4.572 -25.899 5.624 1.00 25.00 H new ATOM 0 HB3 PHE A 69 -5.241 -24.279 5.639 1.00 25.00 H new ATOM 0 HD1 PHE A 69 -5.943 -23.254 3.369 1.00 25.00 H new ATOM 0 HD2 PHE A 69 -5.215 -27.443 3.948 1.00 25.00 H new ATOM 0 HE1 PHE A 69 -7.250 -23.761 1.325 1.00 50.00 H new ATOM 0 HE2 PHE A 69 -6.523 -27.955 1.906 1.00 50.00 H new ATOM 0 HZ PHE A 69 -7.544 -26.114 0.594 1.00 50.00 H new ATOM 1043 N GLY A 70 -3.806 -22.533 3.216 1.00 16.66 N ATOM 1044 CA GLY A 70 -3.849 -21.817 1.911 1.00 16.66 C ATOM 1045 C GLY A 70 -2.436 -21.741 1.333 1.00 16.66 C ATOM 1046 O GLY A 70 -2.245 -21.687 0.134 1.00 16.66 O ATOM 0 H GLY A 70 -4.160 -22.004 4.013 1.00 16.66 H new ATOM 0 HA2 GLY A 70 -4.511 -22.338 1.219 1.00 16.66 H new ATOM 0 HA3 GLY A 70 -4.254 -20.814 2.046 1.00 16.66 H new ATOM 1050 N ARG A 71 -1.441 -21.747 2.178 1.00 25.00 N ATOM 1051 CA ARG A 71 -0.039 -21.683 1.681 1.00 25.00 C ATOM 1052 C ARG A 71 0.326 -23.026 1.047 1.00 25.00 C ATOM 1053 O ARG A 71 1.102 -23.096 0.115 1.00 25.00 O ATOM 1054 CB ARG A 71 0.907 -21.396 2.848 1.00 50.00 C ATOM 1055 CG ARG A 71 0.660 -19.979 3.369 1.00 50.00 C ATOM 1056 CD ARG A 71 1.701 -19.637 4.436 1.00 50.00 C ATOM 1057 NE ARG A 71 1.663 -20.665 5.516 1.00 50.00 N ATOM 1058 CZ ARG A 71 2.193 -20.409 6.680 1.00 50.00 C ATOM 1059 NH1 ARG A 71 1.911 -19.292 7.294 1.00 50.00 N ATOM 1060 NH2 ARG A 71 3.004 -21.270 7.231 1.00 50.00 N ATOM 0 H ARG A 71 -1.540 -21.794 3.192 1.00 25.00 H new ATOM 0 HA ARG A 71 0.053 -20.888 0.941 1.00 25.00 H new ATOM 0 HB2 ARG A 71 0.748 -22.121 3.646 1.00 50.00 H new ATOM 0 HB3 ARG A 71 1.943 -21.501 2.525 1.00 50.00 H new ATOM 0 HG2 ARG A 71 0.717 -19.264 2.548 1.00 50.00 H new ATOM 0 HG3 ARG A 71 -0.343 -19.904 3.788 1.00 50.00 H new ATOM 0 HD2 ARG A 71 2.695 -19.599 3.990 1.00 50.00 H new ATOM 0 HD3 ARG A 71 1.500 -18.650 4.852 1.00 50.00 H new ATOM 0 HE ARG A 71 1.222 -21.569 5.344 1.00 50.00 H new ATOM 0 HH11 ARG A 71 1.276 -18.620 6.863 1.00 50.00 H new ATOM 0 HH12 ARG A 71 2.325 -19.092 8.204 1.00 50.00 H new ATOM 0 HH21 ARG A 71 3.223 -22.143 6.751 1.00 50.00 H new ATOM 0 HH22 ARG A 71 3.419 -21.070 8.141 1.00 50.00 H new ATOM 1074 N ALA A 72 -0.233 -24.093 1.548 1.00 25.00 N ATOM 1075 CA ALA A 72 0.072 -25.435 0.978 1.00 25.00 C ATOM 1076 C ALA A 72 -0.514 -25.531 -0.431 1.00 25.00 C ATOM 1077 O ALA A 72 -0.105 -26.349 -1.231 1.00 25.00 O ATOM 1078 CB ALA A 72 -0.551 -26.514 1.864 1.00 50.00 C ATOM 0 H ALA A 72 -0.889 -24.093 2.329 1.00 25.00 H new ATOM 0 HA ALA A 72 1.152 -25.579 0.934 1.00 25.00 H new ATOM 0 HB1 ALA A 72 -0.330 -27.498 1.450 1.00 50.00 H new ATOM 0 HB2 ALA A 72 -0.137 -26.443 2.870 1.00 50.00 H new ATOM 0 HB3 ALA A 72 -1.631 -26.372 1.905 1.00 50.00 H new ATOM 1084 N ASN A 73 -1.471 -24.700 -0.740 1.00 25.00 N ATOM 1085 CA ASN A 73 -2.086 -24.738 -2.095 1.00 25.00 C ATOM 1086 C ASN A 73 -2.565 -23.335 -2.473 1.00 25.00 C ATOM 1087 O ASN A 73 -3.722 -23.122 -2.771 1.00 25.00 O ATOM 1088 CB ASN A 73 -3.277 -25.699 -2.088 1.00 25.00 C ATOM 1089 CG ASN A 73 -2.963 -26.892 -1.183 1.00 25.00 C ATOM 1090 OD1 ASN A 73 -2.121 -27.707 -1.502 1.00 50.00 O ATOM 1091 ND2 ASN A 73 -3.609 -27.028 -0.058 1.00 50.00 N ATOM 0 H ASN A 73 -1.854 -23.995 -0.110 1.00 25.00 H new ATOM 0 HA ASN A 73 -1.349 -25.080 -2.821 1.00 25.00 H new ATOM 0 HB2 ASN A 73 -4.171 -25.185 -1.734 1.00 25.00 H new ATOM 0 HB3 ASN A 73 -3.487 -26.042 -3.101 1.00 25.00 H new ATOM 0 HD21 ASN A 73 -3.407 -27.819 0.554 1.00 50.00 H new ATOM 0 HD22 ASN A 73 -4.316 -26.344 0.210 1.00 50.00 H new ATOM 1098 N ARG A 74 -1.680 -22.377 -2.460 1.00 25.00 N ATOM 1099 CA ARG A 74 -2.081 -20.988 -2.816 1.00 25.00 C ATOM 1100 C ARG A 74 -2.845 -21.020 -4.136 1.00 25.00 C ATOM 1101 O ARG A 74 -3.813 -20.312 -4.328 1.00 25.00 O ATOM 1102 CB ARG A 74 -0.833 -20.115 -2.967 1.00 25.00 C ATOM 1103 CG ARG A 74 -0.211 -19.872 -1.590 1.00 25.00 C ATOM 1104 CD ARG A 74 1.013 -18.967 -1.736 1.00 25.00 C ATOM 1105 NE ARG A 74 1.726 -18.883 -0.430 1.00 25.00 N ATOM 1106 CZ ARG A 74 3.029 -18.947 -0.395 1.00 50.00 C ATOM 1107 NH1 ARG A 74 3.744 -18.167 -1.160 1.00 50.00 N ATOM 1108 NH2 ARG A 74 3.618 -19.791 0.408 1.00 50.00 N ATOM 0 H ARG A 74 -0.696 -22.496 -2.218 1.00 25.00 H new ATOM 0 HA ARG A 74 -2.713 -20.573 -2.031 1.00 25.00 H new ATOM 0 HB2 ARG A 74 -0.112 -20.603 -3.623 1.00 25.00 H new ATOM 0 HB3 ARG A 74 -1.095 -19.165 -3.432 1.00 25.00 H new ATOM 0 HG2 ARG A 74 -0.941 -19.410 -0.926 1.00 25.00 H new ATOM 0 HG3 ARG A 74 0.077 -20.821 -1.137 1.00 25.00 H new ATOM 0 HD2 ARG A 74 1.681 -19.361 -2.502 1.00 25.00 H new ATOM 0 HD3 ARG A 74 0.707 -17.972 -2.060 1.00 25.00 H new ATOM 0 HE ARG A 74 1.196 -18.776 0.435 1.00 25.00 H new ATOM 0 HH11 ARG A 74 3.284 -17.506 -1.786 1.00 50.00 H new ATOM 0 HH12 ARG A 74 4.762 -18.218 -1.131 1.00 50.00 H new ATOM 0 HH21 ARG A 74 3.060 -20.399 1.007 1.00 50.00 H new ATOM 0 HH22 ARG A 74 4.636 -19.842 0.436 1.00 50.00 H new ATOM 1122 N GLY A 75 -2.415 -21.847 -5.043 1.00 25.00 N ATOM 1123 CA GLY A 75 -3.106 -21.944 -6.355 1.00 25.00 C ATOM 1124 C GLY A 75 -4.570 -22.327 -6.132 1.00 25.00 C ATOM 1125 O GLY A 75 -5.410 -22.136 -6.990 1.00 25.00 O ATOM 0 H GLY A 75 -1.610 -22.463 -4.932 1.00 25.00 H new ATOM 0 HA2 GLY A 75 -3.044 -20.992 -6.882 1.00 25.00 H new ATOM 0 HA3 GLY A 75 -2.616 -22.688 -6.982 1.00 25.00 H new ATOM 1129 N LEU A 76 -4.880 -22.864 -4.986 1.00 25.00 N ATOM 1130 CA LEU A 76 -6.289 -23.257 -4.705 1.00 25.00 C ATOM 1131 C LEU A 76 -7.092 -22.019 -4.312 1.00 25.00 C ATOM 1132 O LEU A 76 -8.208 -21.823 -4.748 1.00 25.00 O ATOM 1133 CB LEU A 76 -6.320 -24.267 -3.554 1.00 25.00 C ATOM 1134 CG LEU A 76 -5.807 -25.622 -4.042 1.00 25.00 C ATOM 1135 CD1 LEU A 76 -5.870 -26.631 -2.893 1.00 50.00 C ATOM 1136 CD2 LEU A 76 -6.680 -26.113 -5.199 1.00 50.00 C ATOM 0 H LEU A 76 -4.219 -23.048 -4.231 1.00 25.00 H new ATOM 0 HA LEU A 76 -6.724 -23.708 -5.597 1.00 25.00 H new ATOM 0 HB2 LEU A 76 -5.704 -23.910 -2.728 1.00 25.00 H new ATOM 0 HB3 LEU A 76 -7.336 -24.368 -3.173 1.00 25.00 H new ATOM 0 HG LEU A 76 -4.777 -25.520 -4.383 1.00 25.00 H new ATOM 0 HD11 LEU A 76 -5.505 -27.598 -3.238 1.00 50.00 H new ATOM 0 HD12 LEU A 76 -5.249 -26.282 -2.068 1.00 50.00 H new ATOM 0 HD13 LEU A 76 -6.901 -26.732 -2.554 1.00 50.00 H new ATOM 0 HD21 LEU A 76 -6.314 -27.079 -5.547 1.00 50.00 H new ATOM 0 HD22 LEU A 76 -7.710 -26.216 -4.859 1.00 50.00 H new ATOM 0 HD23 LEU A 76 -6.638 -25.394 -6.017 1.00 50.00 H new ATOM 1148 N LEU A 77 -6.531 -21.188 -3.482 1.00 25.00 N ATOM 1149 CA LEU A 77 -7.259 -19.963 -3.045 1.00 25.00 C ATOM 1150 C LEU A 77 -7.352 -18.975 -4.208 1.00 25.00 C ATOM 1151 O LEU A 77 -8.135 -18.048 -4.184 1.00 25.00 O ATOM 1152 CB LEU A 77 -6.511 -19.314 -1.879 1.00 25.00 C ATOM 1153 CG LEU A 77 -5.983 -20.401 -0.938 1.00 25.00 C ATOM 1154 CD1 LEU A 77 -5.540 -19.764 0.380 1.00 50.00 C ATOM 1155 CD2 LEU A 77 -7.090 -21.423 -0.663 1.00 50.00 C ATOM 0 H LEU A 77 -5.598 -21.303 -3.086 1.00 25.00 H new ATOM 0 HA LEU A 77 -8.265 -20.236 -2.725 1.00 25.00 H new ATOM 0 HB2 LEU A 77 -5.684 -18.711 -2.255 1.00 25.00 H new ATOM 0 HB3 LEU A 77 -7.176 -18.641 -1.337 1.00 25.00 H new ATOM 0 HG LEU A 77 -5.134 -20.902 -1.404 1.00 25.00 H new ATOM 0 HD11 LEU A 77 -5.164 -20.538 1.050 1.00 50.00 H new ATOM 0 HD12 LEU A 77 -4.751 -19.037 0.186 1.00 50.00 H new ATOM 0 HD13 LEU A 77 -6.389 -19.262 0.845 1.00 50.00 H new ATOM 0 HD21 LEU A 77 -6.713 -22.196 0.007 1.00 50.00 H new ATOM 0 HD22 LEU A 77 -7.940 -20.923 -0.198 1.00 50.00 H new ATOM 0 HD23 LEU A 77 -7.406 -21.878 -1.602 1.00 50.00 H new ATOM 1167 N LYS A 78 -6.562 -19.165 -5.229 1.00 25.00 N ATOM 1168 CA LYS A 78 -6.616 -18.234 -6.390 1.00 25.00 C ATOM 1169 C LYS A 78 -7.802 -18.608 -7.280 1.00 25.00 C ATOM 1170 O LYS A 78 -8.380 -17.771 -7.947 1.00 25.00 O ATOM 1171 CB LYS A 78 -5.320 -18.344 -7.194 1.00 25.00 C ATOM 1172 CG LYS A 78 -4.143 -17.891 -6.326 1.00 25.00 C ATOM 1173 CD LYS A 78 -2.863 -17.882 -7.165 1.00 50.00 C ATOM 1174 CE LYS A 78 -3.126 -17.165 -8.491 1.00 50.00 C ATOM 1175 NZ LYS A 78 -1.841 -16.987 -9.223 1.00 50.00 N ATOM 0 H LYS A 78 -5.884 -19.922 -5.309 1.00 25.00 H new ATOM 0 HA LYS A 78 -6.734 -17.211 -6.033 1.00 25.00 H new ATOM 0 HB2 LYS A 78 -5.169 -19.372 -7.523 1.00 25.00 H new ATOM 0 HB3 LYS A 78 -5.382 -17.728 -8.091 1.00 25.00 H new ATOM 0 HG2 LYS A 78 -4.335 -16.896 -5.925 1.00 25.00 H new ATOM 0 HG3 LYS A 78 -4.027 -18.561 -5.474 1.00 25.00 H new ATOM 0 HD2 LYS A 78 -2.063 -17.381 -6.621 1.00 50.00 H new ATOM 0 HD3 LYS A 78 -2.531 -18.903 -7.351 1.00 50.00 H new ATOM 0 HE2 LYS A 78 -3.825 -17.742 -9.096 1.00 50.00 H new ATOM 0 HE3 LYS A 78 -3.589 -16.196 -8.307 1.00 50.00 H new ATOM 0 HZ1 LYS A 78 -2.019 -16.500 -10.124 1.00 50.00 H new ATOM 0 HZ2 LYS A 78 -1.188 -16.419 -8.646 1.00 50.00 H new ATOM 0 HZ3 LYS A 78 -1.417 -17.918 -9.411 1.00 50.00 H new ATOM 1189 N ASP A 79 -8.169 -19.860 -7.296 1.00 25.00 N ATOM 1190 CA ASP A 79 -9.316 -20.292 -8.142 1.00 25.00 C ATOM 1191 C ASP A 79 -10.616 -20.146 -7.353 1.00 25.00 C ATOM 1192 O ASP A 79 -11.595 -19.614 -7.838 1.00 25.00 O ATOM 1193 CB ASP A 79 -9.128 -21.756 -8.538 1.00 25.00 C ATOM 1194 CG ASP A 79 -8.361 -21.833 -9.860 1.00 25.00 C ATOM 1195 OD1 ASP A 79 -8.068 -20.787 -10.415 1.00 50.00 O ATOM 1196 OD2 ASP A 79 -8.080 -22.938 -10.295 1.00 50.00 O ATOM 0 H ASP A 79 -7.723 -20.603 -6.759 1.00 25.00 H new ATOM 0 HA ASP A 79 -9.362 -19.671 -9.037 1.00 25.00 H new ATOM 0 HB2 ASP A 79 -8.583 -22.288 -7.758 1.00 25.00 H new ATOM 0 HB3 ASP A 79 -10.098 -22.244 -8.639 1.00 25.00 H new ATOM 1201 N VAL A 80 -10.632 -20.617 -6.140 1.00 25.00 N ATOM 1202 CA VAL A 80 -11.865 -20.512 -5.312 1.00 25.00 C ATOM 1203 C VAL A 80 -12.202 -19.039 -5.093 1.00 25.00 C ATOM 1204 O VAL A 80 -13.344 -18.627 -5.163 1.00 25.00 O ATOM 1205 CB VAL A 80 -11.622 -21.195 -3.960 1.00 50.00 C ATOM 1206 CG1 VAL A 80 -10.852 -20.257 -3.023 1.00 50.00 C ATOM 1207 CG2 VAL A 80 -12.966 -21.559 -3.326 1.00 50.00 C ATOM 0 H VAL A 80 -9.842 -21.072 -5.683 1.00 25.00 H new ATOM 0 HA VAL A 80 -12.697 -21.000 -5.821 1.00 25.00 H new ATOM 0 HB VAL A 80 -11.033 -22.098 -4.119 1.00 50.00 H new ATOM 0 HG11 VAL A 80 -10.686 -20.754 -2.067 1.00 50.00 H new ATOM 0 HG12 VAL A 80 -9.892 -20.003 -3.471 1.00 50.00 H new ATOM 0 HG13 VAL A 80 -11.430 -19.347 -2.864 1.00 50.00 H new ATOM 0 HG21 VAL A 80 -12.795 -22.045 -2.365 1.00 50.00 H new ATOM 0 HG22 VAL A 80 -13.554 -20.654 -3.176 1.00 50.00 H new ATOM 0 HG23 VAL A 80 -13.507 -22.238 -3.985 1.00 50.00 H new ATOM 1217 N ALA A 81 -11.207 -18.251 -4.819 1.00 25.00 N ATOM 1218 CA ALA A 81 -11.440 -16.798 -4.581 1.00 25.00 C ATOM 1219 C ALA A 81 -12.241 -16.195 -5.737 1.00 25.00 C ATOM 1220 O ALA A 81 -13.061 -15.320 -5.544 1.00 25.00 O ATOM 1221 CB ALA A 81 -10.095 -16.080 -4.465 1.00 50.00 C ATOM 0 H ALA A 81 -10.234 -18.549 -4.748 1.00 25.00 H new ATOM 0 HA ALA A 81 -12.004 -16.676 -3.657 1.00 25.00 H new ATOM 0 HB1 ALA A 81 -10.264 -15.017 -4.291 1.00 50.00 H new ATOM 0 HB2 ALA A 81 -9.530 -16.499 -3.633 1.00 50.00 H new ATOM 0 HB3 ALA A 81 -9.532 -16.211 -5.389 1.00 50.00 H new ATOM 1227 N LYS A 82 -12.006 -16.645 -6.939 1.00 25.00 N ATOM 1228 CA LYS A 82 -12.751 -16.082 -8.103 1.00 25.00 C ATOM 1229 C LYS A 82 -14.178 -16.629 -8.117 1.00 25.00 C ATOM 1230 O LYS A 82 -15.078 -16.026 -8.664 1.00 25.00 O ATOM 1231 CB LYS A 82 -12.042 -16.477 -9.400 1.00 25.00 C ATOM 1232 CG LYS A 82 -10.619 -15.914 -9.397 1.00 25.00 C ATOM 1233 CD LYS A 82 -9.995 -16.101 -10.781 1.00 25.00 C ATOM 1234 CE LYS A 82 -8.566 -15.557 -10.775 1.00 50.00 C ATOM 1235 NZ LYS A 82 -8.274 -14.910 -12.086 1.00 50.00 N ATOM 0 H LYS A 82 -11.332 -17.376 -7.166 1.00 25.00 H new ATOM 0 HA LYS A 82 -12.783 -14.996 -8.019 1.00 25.00 H new ATOM 0 HB2 LYS A 82 -12.015 -17.562 -9.496 1.00 25.00 H new ATOM 0 HB3 LYS A 82 -12.594 -16.095 -10.259 1.00 25.00 H new ATOM 0 HG2 LYS A 82 -10.635 -14.857 -9.133 1.00 25.00 H new ATOM 0 HG3 LYS A 82 -10.017 -16.421 -8.643 1.00 25.00 H new ATOM 0 HD2 LYS A 82 -9.992 -17.157 -11.050 1.00 25.00 H new ATOM 0 HD3 LYS A 82 -10.590 -15.582 -11.533 1.00 25.00 H new ATOM 0 HE2 LYS A 82 -8.443 -14.836 -9.967 1.00 50.00 H new ATOM 0 HE3 LYS A 82 -7.859 -16.366 -10.591 1.00 50.00 H new ATOM 0 HZ1 LYS A 82 -7.302 -14.540 -12.082 1.00 50.00 H new ATOM 0 HZ2 LYS A 82 -8.375 -15.610 -12.849 1.00 50.00 H new ATOM 0 HZ3 LYS A 82 -8.941 -14.128 -12.243 1.00 50.00 H new ATOM 1249 N ILE A 83 -14.391 -17.769 -7.522 1.00 25.00 N ATOM 1250 CA ILE A 83 -15.760 -18.353 -7.504 1.00 25.00 C ATOM 1251 C ILE A 83 -16.722 -17.379 -6.828 1.00 25.00 C ATOM 1252 O ILE A 83 -17.854 -17.219 -7.239 1.00 25.00 O ATOM 1253 CB ILE A 83 -15.735 -19.670 -6.730 1.00 50.00 C ATOM 1254 CG1 ILE A 83 -14.736 -20.626 -7.387 1.00 50.00 C ATOM 1255 CG2 ILE A 83 -17.132 -20.294 -6.743 1.00 50.00 C ATOM 1256 CD1 ILE A 83 -14.936 -22.039 -6.833 1.00 50.00 C ATOM 0 H ILE A 83 -13.676 -18.321 -7.048 1.00 25.00 H new ATOM 0 HA ILE A 83 -16.093 -18.536 -8.525 1.00 25.00 H new ATOM 0 HB ILE A 83 -15.433 -19.484 -5.699 1.00 50.00 H new ATOM 0 HG12 ILE A 83 -14.874 -20.626 -8.468 1.00 50.00 H new ATOM 0 HG13 ILE A 83 -13.717 -20.291 -7.196 1.00 50.00 H new ATOM 0 HG21 ILE A 83 -17.116 -21.234 -6.191 1.00 50.00 H new ATOM 0 HG22 ILE A 83 -17.840 -19.610 -6.275 1.00 50.00 H new ATOM 0 HG23 ILE A 83 -17.437 -20.483 -7.772 1.00 50.00 H new ATOM 0 HD11 ILE A 83 -14.224 -22.718 -7.302 1.00 50.00 H new ATOM 0 HD12 ILE A 83 -14.776 -22.033 -5.755 1.00 50.00 H new ATOM 0 HD13 ILE A 83 -15.951 -22.373 -7.047 1.00 50.00 H new ATOM 1268 N PHE A 84 -16.278 -16.724 -5.793 1.00 25.00 N ATOM 1269 CA PHE A 84 -17.161 -15.756 -5.086 1.00 25.00 C ATOM 1270 C PHE A 84 -16.917 -14.349 -5.636 1.00 25.00 C ATOM 1271 O PHE A 84 -16.528 -14.243 -6.786 1.00 25.00 O ATOM 1272 CB PHE A 84 -16.849 -15.780 -3.589 1.00 50.00 C ATOM 1273 CG PHE A 84 -17.205 -17.134 -3.023 1.00 50.00 C ATOM 1274 CD1 PHE A 84 -16.279 -18.183 -3.079 1.00 50.00 C ATOM 1275 CD2 PHE A 84 -18.462 -17.342 -2.444 1.00 50.00 C ATOM 1276 CE1 PHE A 84 -16.610 -19.437 -2.556 1.00 50.00 C ATOM 1277 CE2 PHE A 84 -18.794 -18.597 -1.921 1.00 50.00 C ATOM 1278 CZ PHE A 84 -17.867 -19.645 -1.977 1.00 50.00 C ATOM 1279 OXT PHE A 84 -17.125 -13.400 -4.896 1.00 99.99 O ATOM 0 H PHE A 84 -15.339 -16.817 -5.405 1.00 25.00 H new ATOM 0 HA PHE A 84 -18.204 -16.032 -5.244 1.00 25.00 H new ATOM 0 HB2 PHE A 84 -15.792 -15.571 -3.423 1.00 50.00 H new ATOM 0 HB3 PHE A 84 -17.412 -15.000 -3.077 1.00 50.00 H new ATOM 0 HD1 PHE A 84 -15.309 -18.024 -3.526 1.00 50.00 H new ATOM 0 HD2 PHE A 84 -19.177 -16.533 -2.401 1.00 50.00 H new ATOM 0 HE1 PHE A 84 -15.895 -20.245 -2.599 1.00 50.00 H new ATOM 0 HE2 PHE A 84 -19.764 -18.757 -1.475 1.00 50.00 H new ATOM 0 HZ PHE A 84 -18.122 -20.614 -1.573 1.00 50.00 H new