USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 713 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 11 LYS NZ :NH3+ 173:sc= -0.0144 (180deg=-0.106) USER MOD Single : A 16 GLN : amide:sc= -0.0061 K(o=-0.0061,f=-0.85) USER MOD Single : A 19 THR OG1 : rot -83:sc= 0.254 USER MOD Single : A 23 LYS NZ :NH3+ -110:sc= 0.892 (180deg=-0.00577) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl -168:sc= -0.012 (180deg=-0.389) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.219 USER MOD Single : A 36 SER OG : rot -33:sc= 0.801 USER MOD Single : A 37 THR OG1 : rot 84:sc= 1.17 USER MOD Single : A 38 TYR OH : rot -79:sc= 0.153 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -171:sc= 1.23 USER MOD Single : A 50 SER OG : rot 128:sc= 0.0898 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 160:sc= -1.94 USER MOD Single : A 69 LYS NZ :NH3+ 161:sc= 1.26 (180deg=0.769) USER MOD Single : A 71 LYS NZ :NH3+ -168:sc= 0.263 (180deg=0.213) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0.141 K(o=0.14,f=-4.7!) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.0392 X(o=-0.039,f=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0836 USER MOD Single : A 88 ASN : amide:sc= -1.33 K(o=-1.3,f=-2.3) USER MOD Single : A 89 GLN : amide:sc= 0.595 K(o=0.6,f=-0.008) USER MOD Single : A 91 ASN : amide:sc= -0.0753 K(o=-0.075,f=-6.1!) USER MOD Single : A 98 ASN : amide:sc= 0.259 X(o=0.26,f=-0.065) USER MOD Single : A 99 SER OG : rot 180:sc= 0.022 USER MOD Single : A 104 GLN : amide:sc= -0.0404 X(o=-0.04,f=-0.27) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.00497 USER MOD ----------------------------------------------------------------- ATOM 115 N ILE A 10 -8.082 4.160 8.153 1.00 2.00 N ATOM 116 CA ILE A 10 -6.770 3.730 7.685 1.00 33.13 C ATOM 117 C ILE A 10 -6.002 4.954 7.175 1.00 3.22 C ATOM 118 O ILE A 10 -6.516 5.724 6.365 1.00 74.24 O ATOM 119 CB ILE A 10 -6.945 2.633 6.608 1.00 22.44 C ATOM 120 CG1 ILE A 10 -7.556 1.370 7.262 1.00 3.14 C ATOM 121 CG2 ILE A 10 -5.610 2.283 5.925 1.00 0.30 C ATOM 122 CD1 ILE A 10 -7.892 0.254 6.272 1.00 62.43 C ATOM 0 HA ILE A 10 -6.185 3.291 8.493 1.00 33.13 H new ATOM 0 HB ILE A 10 -7.614 3.015 5.837 1.00 22.44 H new ATOM 0 HG12 ILE A 10 -6.857 0.984 8.004 1.00 3.14 H new ATOM 0 HG13 ILE A 10 -8.463 1.653 7.795 1.00 3.14 H new ATOM 0 HG21 ILE A 10 -5.777 1.509 5.176 1.00 0.30 H new ATOM 0 HG22 ILE A 10 -5.203 3.172 5.444 1.00 0.30 H new ATOM 0 HG23 ILE A 10 -4.904 1.919 6.671 1.00 0.30 H new ATOM 0 HD11 ILE A 10 -8.315 -0.594 6.810 1.00 62.43 H new ATOM 0 HD12 ILE A 10 -8.616 0.620 5.544 1.00 62.43 H new ATOM 0 HD13 ILE A 10 -6.985 -0.060 5.756 1.00 62.43 H new ATOM 134 N LYS A 11 -4.760 5.133 7.641 1.00 53.51 N ATOM 135 CA LYS A 11 -3.863 6.217 7.231 1.00 1.12 C ATOM 136 C LYS A 11 -2.443 5.744 6.929 1.00 60.24 C ATOM 137 O LYS A 11 -1.535 6.559 6.748 1.00 31.44 O ATOM 138 CB LYS A 11 -3.888 7.341 8.281 1.00 23.44 C ATOM 139 CG LYS A 11 -5.219 8.093 8.381 1.00 12.20 C ATOM 140 CD LYS A 11 -5.508 8.940 7.132 1.00 61.11 C ATOM 141 CE LYS A 11 -6.854 9.666 7.193 1.00 63.14 C ATOM 142 NZ LYS A 11 -6.983 10.524 8.387 1.00 4.50 N ATOM 0 H LYS A 11 -4.341 4.510 8.332 1.00 53.51 H new ATOM 0 HA LYS A 11 -4.236 6.611 6.286 1.00 1.12 H new ATOM 0 HB2 LYS A 11 -3.653 6.914 9.256 1.00 23.44 H new ATOM 0 HB3 LYS A 11 -3.099 8.056 8.047 1.00 23.44 H new ATOM 0 HG2 LYS A 11 -6.028 7.377 8.526 1.00 12.20 H new ATOM 0 HG3 LYS A 11 -5.203 8.739 9.259 1.00 12.20 H new ATOM 0 HD2 LYS A 11 -4.712 9.674 7.007 1.00 61.11 H new ATOM 0 HD3 LYS A 11 -5.489 8.296 6.252 1.00 61.11 H new ATOM 0 HE2 LYS A 11 -6.975 10.276 6.297 1.00 63.14 H new ATOM 0 HE3 LYS A 11 -7.659 8.931 7.189 1.00 63.14 H new ATOM 0 HZ1 LYS A 11 -7.858 11.082 8.321 1.00 4.50 H new ATOM 0 HZ2 LYS A 11 -7.015 9.930 9.240 1.00 4.50 H new ATOM 0 HZ3 LYS A 11 -6.167 11.166 8.443 1.00 4.50 H new ATOM 156 N GLU A 12 -2.236 4.442 6.832 1.00 2.04 N ATOM 157 CA GLU A 12 -1.011 3.820 6.344 1.00 63.31 C ATOM 158 C GLU A 12 -1.443 2.417 5.889 1.00 3.51 C ATOM 159 O GLU A 12 -2.310 1.827 6.536 1.00 23.22 O ATOM 160 CB GLU A 12 0.028 3.768 7.491 1.00 33.43 C ATOM 161 CG GLU A 12 1.479 3.686 6.992 1.00 61.53 C ATOM 162 CD GLU A 12 2.517 3.717 8.126 1.00 62.12 C ATOM 163 OE1 GLU A 12 2.604 2.744 8.905 1.00 4.35 O ATOM 164 OE2 GLU A 12 3.375 4.640 8.163 1.00 41.11 O ATOM 0 H GLU A 12 -2.944 3.759 7.101 1.00 2.04 H new ATOM 0 HA GLU A 12 -0.539 4.365 5.527 1.00 63.31 H new ATOM 0 HB2 GLU A 12 -0.085 4.655 8.115 1.00 33.43 H new ATOM 0 HB3 GLU A 12 -0.181 2.905 8.123 1.00 33.43 H new ATOM 0 HG2 GLU A 12 1.607 2.768 6.418 1.00 61.53 H new ATOM 0 HG3 GLU A 12 1.669 4.517 6.312 1.00 61.53 H new ATOM 171 N ILE A 13 -0.875 1.879 4.809 1.00 0.52 N ATOM 172 CA ILE A 13 -1.182 0.536 4.292 1.00 64.12 C ATOM 173 C ILE A 13 0.126 -0.218 4.039 1.00 72.24 C ATOM 174 O ILE A 13 1.200 0.395 4.081 1.00 53.13 O ATOM 175 CB ILE A 13 -2.056 0.616 3.015 1.00 41.21 C ATOM 176 CG1 ILE A 13 -1.338 1.348 1.859 1.00 13.42 C ATOM 177 CG2 ILE A 13 -3.420 1.250 3.311 1.00 12.01 C ATOM 178 CD1 ILE A 13 -1.220 0.449 0.627 1.00 12.11 C ATOM 0 H ILE A 13 -0.174 2.371 4.255 1.00 0.52 H new ATOM 0 HA ILE A 13 -1.762 -0.013 5.034 1.00 64.12 H new ATOM 0 HB ILE A 13 -2.226 -0.409 2.685 1.00 41.21 H new ATOM 0 HG12 ILE A 13 -1.887 2.253 1.601 1.00 13.42 H new ATOM 0 HG13 ILE A 13 -0.345 1.659 2.183 1.00 13.42 H new ATOM 0 HG21 ILE A 13 -4.009 1.291 2.395 1.00 12.01 H new ATOM 0 HG22 ILE A 13 -3.946 0.650 4.054 1.00 12.01 H new ATOM 0 HG23 ILE A 13 -3.276 2.260 3.696 1.00 12.01 H new ATOM 0 HD11 ILE A 13 -0.711 0.990 -0.171 1.00 12.11 H new ATOM 0 HD12 ILE A 13 -0.649 -0.444 0.882 1.00 12.11 H new ATOM 0 HD13 ILE A 13 -2.216 0.160 0.291 1.00 12.11 H new ATOM 190 N ILE A 14 0.057 -1.523 3.755 1.00 1.02 N ATOM 191 CA ILE A 14 1.237 -2.332 3.464 1.00 13.51 C ATOM 192 C ILE A 14 0.880 -3.257 2.315 1.00 24.12 C ATOM 193 O ILE A 14 0.014 -4.118 2.436 1.00 34.11 O ATOM 194 CB ILE A 14 1.746 -3.123 4.691 1.00 21.11 C ATOM 195 CG1 ILE A 14 1.814 -2.239 5.954 1.00 71.14 C ATOM 196 CG2 ILE A 14 3.125 -3.748 4.370 1.00 20.25 C ATOM 197 CD1 ILE A 14 2.262 -3.016 7.183 1.00 61.22 C ATOM 0 H ILE A 14 -0.819 -2.044 3.721 1.00 1.02 H new ATOM 0 HA ILE A 14 2.064 -1.676 3.191 1.00 13.51 H new ATOM 0 HB ILE A 14 1.035 -3.921 4.905 1.00 21.11 H new ATOM 0 HG12 ILE A 14 2.503 -1.413 5.779 1.00 71.14 H new ATOM 0 HG13 ILE A 14 0.833 -1.802 6.141 1.00 71.14 H new ATOM 0 HG21 ILE A 14 3.482 -4.305 5.236 1.00 20.25 H new ATOM 0 HG22 ILE A 14 3.030 -4.422 3.519 1.00 20.25 H new ATOM 0 HG23 ILE A 14 3.836 -2.957 4.129 1.00 20.25 H new ATOM 0 HD11 ILE A 14 2.293 -2.348 8.044 1.00 61.22 H new ATOM 0 HD12 ILE A 14 1.559 -3.826 7.377 1.00 61.22 H new ATOM 0 HD13 ILE A 14 3.255 -3.431 7.009 1.00 61.22 H new ATOM 209 N ILE A 15 1.553 -3.090 1.186 1.00 52.52 N ATOM 210 CA ILE A 15 1.453 -4.026 0.084 1.00 0.32 C ATOM 211 C ILE A 15 2.385 -5.166 0.467 1.00 5.42 C ATOM 212 O ILE A 15 3.612 -4.981 0.502 1.00 64.34 O ATOM 213 CB ILE A 15 1.794 -3.338 -1.252 1.00 53.42 C ATOM 214 CG1 ILE A 15 0.826 -2.143 -1.440 1.00 41.31 C ATOM 215 CG2 ILE A 15 1.667 -4.334 -2.420 1.00 31.31 C ATOM 216 CD1 ILE A 15 1.105 -1.290 -2.671 1.00 31.11 C ATOM 0 H ILE A 15 2.180 -2.305 1.012 1.00 52.52 H new ATOM 0 HA ILE A 15 0.445 -4.409 -0.078 1.00 0.32 H new ATOM 0 HB ILE A 15 2.824 -2.981 -1.238 1.00 53.42 H new ATOM 0 HG12 ILE A 15 -0.193 -2.524 -1.501 1.00 41.31 H new ATOM 0 HG13 ILE A 15 0.876 -1.509 -0.555 1.00 41.31 H new ATOM 0 HG21 ILE A 15 1.911 -3.831 -3.355 1.00 31.31 H new ATOM 0 HG22 ILE A 15 2.354 -5.166 -2.265 1.00 31.31 H new ATOM 0 HG23 ILE A 15 0.645 -4.711 -2.467 1.00 31.31 H new ATOM 0 HD11 ILE A 15 0.380 -0.478 -2.723 1.00 31.11 H new ATOM 0 HD12 ILE A 15 2.111 -0.875 -2.606 1.00 31.11 H new ATOM 0 HD13 ILE A 15 1.024 -1.906 -3.567 1.00 31.11 H new ATOM 228 N GLN A 16 1.818 -6.327 0.813 1.00 32.10 N ATOM 229 CA GLN A 16 2.627 -7.508 1.048 1.00 4.30 C ATOM 230 C GLN A 16 3.425 -7.824 -0.226 1.00 3.14 C ATOM 231 O GLN A 16 3.063 -7.426 -1.326 1.00 12.50 O ATOM 232 CB GLN A 16 1.801 -8.714 1.542 1.00 33.41 C ATOM 233 CG GLN A 16 2.675 -9.534 2.502 1.00 52.32 C ATOM 234 CD GLN A 16 2.105 -10.826 3.057 1.00 60.24 C ATOM 235 OE1 GLN A 16 1.181 -11.425 2.521 1.00 62.11 O ATOM 236 NE2 GLN A 16 2.760 -11.334 4.087 1.00 72.14 N ATOM 0 H GLN A 16 0.815 -6.465 0.933 1.00 32.10 H new ATOM 0 HA GLN A 16 3.322 -7.298 1.861 1.00 4.30 H new ATOM 0 HB2 GLN A 16 0.897 -8.374 2.047 1.00 33.41 H new ATOM 0 HB3 GLN A 16 1.483 -9.328 0.699 1.00 33.41 H new ATOM 0 HG2 GLN A 16 3.604 -9.774 1.985 1.00 52.32 H new ATOM 0 HG3 GLN A 16 2.935 -8.894 3.345 1.00 52.32 H new ATOM 0 HE21 GLN A 16 3.526 -10.811 4.513 1.00 72.14 H new ATOM 0 HE22 GLN A 16 2.500 -12.249 4.456 1.00 72.14 H new ATOM 245 N GLY A 17 4.523 -8.570 -0.117 1.00 44.05 N ATOM 246 CA GLY A 17 5.274 -9.044 -1.274 1.00 14.34 C ATOM 247 C GLY A 17 4.894 -10.477 -1.595 1.00 34.15 C ATOM 248 O GLY A 17 5.653 -11.162 -2.281 1.00 4.12 O ATOM 0 H GLY A 17 4.916 -8.862 0.778 1.00 44.05 H new ATOM 0 HA2 GLY A 17 5.072 -8.405 -2.134 1.00 14.34 H new ATOM 0 HA3 GLY A 17 6.343 -8.980 -1.073 1.00 14.34 H new ATOM 252 N LEU A 18 3.780 -10.969 -1.049 1.00 43.02 N ATOM 253 CA LEU A 18 3.290 -12.302 -1.135 1.00 52.05 C ATOM 254 C LEU A 18 1.981 -12.238 -1.921 1.00 14.51 C ATOM 255 O LEU A 18 1.212 -11.296 -1.714 1.00 64.32 O ATOM 256 CB LEU A 18 3.121 -12.811 0.314 1.00 53.12 C ATOM 257 CG LEU A 18 3.659 -14.216 0.617 1.00 44.35 C ATOM 258 CD1 LEU A 18 3.221 -14.641 2.000 1.00 34.31 C ATOM 259 CD2 LEU A 18 3.057 -15.057 -0.416 1.00 60.14 C ATOM 0 H LEU A 18 3.163 -10.377 -0.494 1.00 43.02 H new ATOM 0 HA LEU A 18 3.954 -12.995 -1.652 1.00 52.05 H new ATOM 0 HB2 LEU A 18 3.615 -12.106 0.982 1.00 53.12 H new ATOM 0 HB3 LEU A 18 2.059 -12.793 0.560 1.00 53.12 H new ATOM 0 HG LEU A 18 4.747 -14.277 0.606 1.00 44.35 H new ATOM 0 HD11 LEU A 18 3.604 -15.639 2.212 1.00 34.31 H new ATOM 0 HD12 LEU A 18 3.610 -13.938 2.737 1.00 34.31 H new ATOM 0 HD13 LEU A 18 2.132 -14.653 2.049 1.00 34.31 H new ATOM 0 HD21 LEU A 18 3.384 -16.088 -0.282 1.00 60.14 H new ATOM 0 HD22 LEU A 18 1.971 -15.008 -0.338 1.00 60.14 H new ATOM 0 HD23 LEU A 18 3.366 -14.703 -1.399 1.00 60.14 H new ATOM 271 N THR A 19 1.760 -13.162 -2.858 1.00 44.21 N ATOM 272 CA THR A 19 0.572 -13.138 -3.707 1.00 11.41 C ATOM 273 C THR A 19 -0.652 -13.655 -2.941 1.00 3.20 C ATOM 274 O THR A 19 -0.523 -14.334 -1.922 1.00 3.42 O ATOM 275 CB THR A 19 0.796 -13.927 -5.014 1.00 51.03 C ATOM 276 OG1 THR A 19 0.922 -15.314 -4.769 1.00 42.42 O ATOM 277 CG2 THR A 19 2.032 -13.472 -5.801 1.00 14.24 C ATOM 0 H THR A 19 2.393 -13.939 -3.047 1.00 44.21 H new ATOM 0 HA THR A 19 0.380 -12.102 -3.987 1.00 11.41 H new ATOM 0 HB THR A 19 -0.091 -13.722 -5.614 1.00 51.03 H new ATOM 0 HG1 THR A 19 1.846 -15.519 -4.514 1.00 42.42 H new ATOM 0 HG21 THR A 19 2.127 -14.070 -6.707 1.00 14.24 H new ATOM 0 HG22 THR A 19 1.926 -12.421 -6.069 1.00 14.24 H new ATOM 0 HG23 THR A 19 2.923 -13.601 -5.186 1.00 14.24 H new ATOM 285 N ARG A 20 -1.844 -13.450 -3.505 1.00 54.43 N ATOM 286 CA ARG A 20 -3.092 -14.101 -3.094 1.00 44.52 C ATOM 287 C ARG A 20 -3.021 -15.634 -3.079 1.00 12.44 C ATOM 288 O ARG A 20 -3.854 -16.282 -2.451 1.00 51.54 O ATOM 289 CB ARG A 20 -4.232 -13.654 -4.020 1.00 12.34 C ATOM 290 CG ARG A 20 -4.030 -14.016 -5.505 1.00 2.00 C ATOM 291 CD ARG A 20 -5.067 -13.304 -6.373 1.00 72.15 C ATOM 292 NE ARG A 20 -6.358 -14.013 -6.435 1.00 43.12 N ATOM 293 CZ ARG A 20 -7.557 -13.433 -6.585 1.00 64.12 C ATOM 294 NH1 ARG A 20 -7.684 -12.120 -6.719 1.00 20.31 N ATOM 295 NH2 ARG A 20 -8.644 -14.185 -6.591 1.00 20.42 N ATOM 0 H ARG A 20 -1.973 -12.806 -4.285 1.00 54.43 H new ATOM 0 HA ARG A 20 -3.274 -13.790 -2.065 1.00 44.52 H new ATOM 0 HB2 ARG A 20 -5.162 -14.104 -3.673 1.00 12.34 H new ATOM 0 HB3 ARG A 20 -4.349 -12.574 -3.935 1.00 12.34 H new ATOM 0 HG2 ARG A 20 -3.026 -13.733 -5.821 1.00 2.00 H new ATOM 0 HG3 ARG A 20 -4.114 -15.095 -5.638 1.00 2.00 H new ATOM 0 HD2 ARG A 20 -5.230 -12.299 -5.983 1.00 72.15 H new ATOM 0 HD3 ARG A 20 -4.672 -13.193 -7.383 1.00 72.15 H new ATOM 0 HE ARG A 20 -6.337 -15.030 -6.357 1.00 43.12 H new ATOM 0 HH11 ARG A 20 -6.856 -11.524 -6.710 1.00 20.31 H new ATOM 0 HH12 ARG A 20 -8.609 -11.706 -6.832 1.00 20.31 H new ATOM 0 HH21 ARG A 20 -8.565 -15.196 -6.482 1.00 20.42 H new ATOM 0 HH22 ARG A 20 -9.562 -13.754 -6.704 1.00 20.42 H new ATOM 309 N ALA A 21 -2.088 -16.231 -3.821 1.00 2.22 N ATOM 310 CA ALA A 21 -1.847 -17.672 -3.836 1.00 31.25 C ATOM 311 C ALA A 21 -0.946 -18.100 -2.671 1.00 24.40 C ATOM 312 O ALA A 21 -0.590 -19.277 -2.576 1.00 42.35 O ATOM 313 CB ALA A 21 -1.194 -18.070 -5.166 1.00 13.22 C ATOM 0 H ALA A 21 -1.466 -15.714 -4.442 1.00 2.22 H new ATOM 0 HA ALA A 21 -2.806 -18.178 -3.726 1.00 31.25 H new ATOM 0 HB1 ALA A 21 -1.015 -19.145 -5.176 1.00 13.22 H new ATOM 0 HB2 ALA A 21 -1.856 -17.805 -5.990 1.00 13.22 H new ATOM 0 HB3 ALA A 21 -0.246 -17.543 -5.278 1.00 13.22 H new ATOM 319 N GLY A 22 -0.500 -17.164 -1.825 1.00 35.30 N ATOM 320 CA GLY A 22 0.446 -17.439 -0.764 1.00 35.34 C ATOM 321 C GLY A 22 1.777 -17.910 -1.328 1.00 3.53 C ATOM 322 O GLY A 22 2.317 -18.900 -0.831 1.00 23.21 O ATOM 0 H GLY A 22 -0.795 -16.189 -1.867 1.00 35.30 H new ATOM 0 HA2 GLY A 22 0.598 -16.541 -0.166 1.00 35.34 H new ATOM 0 HA3 GLY A 22 0.040 -18.200 -0.098 1.00 35.34 H new ATOM 326 N LYS A 23 2.317 -17.239 -2.362 1.00 72.33 N ATOM 327 CA LYS A 23 3.731 -17.361 -2.710 1.00 71.54 C ATOM 328 C LYS A 23 4.382 -16.073 -3.098 1.00 72.54 C ATOM 329 O LYS A 23 3.703 -15.202 -3.623 1.00 73.23 O ATOM 330 CB LYS A 23 3.894 -18.255 -3.948 1.00 11.01 C ATOM 331 CG LYS A 23 3.893 -19.743 -3.604 1.00 40.32 C ATOM 332 CD LYS A 23 2.494 -20.363 -3.749 1.00 2.04 C ATOM 333 CE LYS A 23 2.312 -21.753 -3.113 1.00 75.54 C ATOM 334 NZ LYS A 23 2.387 -21.706 -1.635 1.00 74.11 N ATOM 0 H LYS A 23 1.790 -16.609 -2.966 1.00 72.33 H new ATOM 0 HA LYS A 23 4.196 -17.757 -1.807 1.00 71.54 H new ATOM 0 HB2 LYS A 23 3.086 -18.048 -4.650 1.00 11.01 H new ATOM 0 HB3 LYS A 23 4.827 -18.003 -4.453 1.00 11.01 H new ATOM 0 HG2 LYS A 23 4.592 -20.267 -4.256 1.00 40.32 H new ATOM 0 HG3 LYS A 23 4.247 -19.880 -2.582 1.00 40.32 H new ATOM 0 HD2 LYS A 23 1.767 -19.683 -3.305 1.00 2.04 H new ATOM 0 HD3 LYS A 23 2.257 -20.435 -4.810 1.00 2.04 H new ATOM 0 HE2 LYS A 23 1.348 -22.165 -3.413 1.00 75.54 H new ATOM 0 HE3 LYS A 23 3.079 -22.428 -3.493 1.00 75.54 H new ATOM 0 HZ1 LYS A 23 3.265 -22.164 -1.317 1.00 74.11 H new ATOM 0 HZ2 LYS A 23 2.380 -20.715 -1.318 1.00 74.11 H new ATOM 0 HZ3 LYS A 23 1.569 -22.205 -1.230 1.00 74.11 H new ATOM 348 N PRO A 24 5.665 -15.895 -2.780 1.00 51.34 N ATOM 349 CA PRO A 24 6.238 -14.576 -2.750 1.00 42.23 C ATOM 350 C PRO A 24 6.672 -14.150 -4.144 1.00 53.45 C ATOM 351 O PRO A 24 7.283 -14.901 -4.910 1.00 22.13 O ATOM 352 CB PRO A 24 7.334 -14.682 -1.718 1.00 60.51 C ATOM 353 CG PRO A 24 7.855 -16.105 -1.923 1.00 64.12 C ATOM 354 CD PRO A 24 6.559 -16.860 -2.161 1.00 13.34 C ATOM 0 HA PRO A 24 5.549 -13.781 -2.465 1.00 42.23 H new ATOM 0 HB2 PRO A 24 8.114 -13.938 -1.879 1.00 60.51 H new ATOM 0 HB3 PRO A 24 6.954 -14.532 -0.707 1.00 60.51 H new ATOM 0 HG2 PRO A 24 8.535 -16.176 -2.772 1.00 64.12 H new ATOM 0 HG3 PRO A 24 8.394 -16.476 -1.051 1.00 64.12 H new ATOM 0 HD2 PRO A 24 6.718 -17.722 -2.809 1.00 13.34 H new ATOM 0 HD3 PRO A 24 6.145 -17.237 -1.226 1.00 13.34 H new ATOM 362 N PHE A 25 6.282 -12.930 -4.486 1.00 24.32 N ATOM 363 CA PHE A 25 6.502 -12.311 -5.780 1.00 43.25 C ATOM 364 C PHE A 25 7.983 -11.950 -5.957 1.00 31.50 C ATOM 365 O PHE A 25 8.707 -11.815 -4.963 1.00 71.14 O ATOM 366 CB PHE A 25 5.584 -11.089 -5.836 1.00 32.10 C ATOM 367 CG PHE A 25 5.772 -10.204 -7.053 1.00 44.41 C ATOM 368 CD1 PHE A 25 5.541 -10.731 -8.342 1.00 3.03 C ATOM 369 CD2 PHE A 25 6.191 -8.865 -6.900 1.00 34.33 C ATOM 370 CE1 PHE A 25 5.761 -9.925 -9.472 1.00 5.25 C ATOM 371 CE2 PHE A 25 6.393 -8.052 -8.027 1.00 22.22 C ATOM 372 CZ PHE A 25 6.188 -8.593 -9.309 1.00 4.42 C ATOM 0 H PHE A 25 5.782 -12.320 -3.839 1.00 24.32 H new ATOM 0 HA PHE A 25 6.265 -12.986 -6.602 1.00 43.25 H new ATOM 0 HB2 PHE A 25 4.549 -11.429 -5.809 1.00 32.10 H new ATOM 0 HB3 PHE A 25 5.746 -10.489 -4.940 1.00 32.10 H new ATOM 0 HD1 PHE A 25 5.197 -11.748 -8.459 1.00 3.03 H new ATOM 0 HD2 PHE A 25 6.357 -8.464 -5.911 1.00 34.33 H new ATOM 0 HE1 PHE A 25 5.603 -10.326 -10.462 1.00 5.25 H new ATOM 0 HE2 PHE A 25 6.702 -7.024 -7.911 1.00 22.22 H new ATOM 0 HZ PHE A 25 6.360 -7.979 -10.180 1.00 4.42 H new ATOM 382 N ARG A 26 8.430 -11.778 -7.204 1.00 20.33 N ATOM 383 CA ARG A 26 9.803 -11.452 -7.572 1.00 44.34 C ATOM 384 C ARG A 26 9.792 -10.264 -8.540 1.00 51.21 C ATOM 385 O ARG A 26 8.823 -10.097 -9.278 1.00 64.35 O ATOM 386 CB ARG A 26 10.482 -12.665 -8.238 1.00 3.00 C ATOM 387 CG ARG A 26 11.099 -13.668 -7.256 1.00 61.22 C ATOM 388 CD ARG A 26 12.410 -13.169 -6.638 1.00 11.10 C ATOM 389 NE ARG A 26 13.089 -14.249 -5.904 1.00 2.05 N ATOM 390 CZ ARG A 26 14.379 -14.600 -6.009 1.00 44.44 C ATOM 391 NH1 ARG A 26 15.255 -13.863 -6.696 1.00 14.44 N ATOM 392 NH2 ARG A 26 14.796 -15.719 -5.426 1.00 11.52 N ATOM 0 H ARG A 26 7.817 -11.867 -8.015 1.00 20.33 H new ATOM 0 HA ARG A 26 10.365 -11.192 -6.675 1.00 44.34 H new ATOM 0 HB2 ARG A 26 9.747 -13.184 -8.854 1.00 3.00 H new ATOM 0 HB3 ARG A 26 11.263 -12.305 -8.908 1.00 3.00 H new ATOM 0 HG2 ARG A 26 10.384 -13.876 -6.460 1.00 61.22 H new ATOM 0 HG3 ARG A 26 11.283 -14.610 -7.774 1.00 61.22 H new ATOM 0 HD2 ARG A 26 13.065 -12.789 -7.422 1.00 11.10 H new ATOM 0 HD3 ARG A 26 12.205 -12.338 -5.963 1.00 11.10 H new ATOM 0 HE ARG A 26 12.520 -14.785 -5.249 1.00 2.05 H new ATOM 0 HH11 ARG A 26 14.949 -13.007 -7.159 1.00 14.44 H new ATOM 0 HH12 ARG A 26 16.230 -14.156 -6.758 1.00 14.44 H new ATOM 0 HH21 ARG A 26 14.137 -16.299 -4.906 1.00 11.52 H new ATOM 0 HH22 ARG A 26 15.775 -15.998 -5.498 1.00 11.52 H new ATOM 406 N PRO A 27 10.879 -9.489 -8.633 1.00 1.12 N ATOM 407 CA PRO A 27 12.121 -9.723 -7.926 1.00 5.21 C ATOM 408 C PRO A 27 11.995 -9.361 -6.449 1.00 24.34 C ATOM 409 O PRO A 27 11.042 -8.705 -6.034 1.00 74.32 O ATOM 410 CB PRO A 27 13.126 -8.823 -8.620 1.00 13.30 C ATOM 411 CG PRO A 27 12.287 -7.631 -9.062 1.00 40.15 C ATOM 412 CD PRO A 27 10.983 -8.309 -9.474 1.00 25.31 C ATOM 0 HA PRO A 27 12.415 -10.772 -7.950 1.00 5.21 H new ATOM 0 HB2 PRO A 27 13.928 -8.522 -7.946 1.00 13.30 H new ATOM 0 HB3 PRO A 27 13.593 -9.322 -9.469 1.00 13.30 H new ATOM 0 HG2 PRO A 27 12.138 -6.913 -8.255 1.00 40.15 H new ATOM 0 HG3 PRO A 27 12.747 -7.090 -9.889 1.00 40.15 H new ATOM 0 HD2 PRO A 27 10.131 -7.645 -9.326 1.00 25.31 H new ATOM 0 HD3 PRO A 27 10.997 -8.579 -10.530 1.00 25.31 H new ATOM 420 N SER A 28 12.953 -9.790 -5.632 1.00 51.01 N ATOM 421 CA SER A 28 12.920 -9.495 -4.207 1.00 0.13 C ATOM 422 C SER A 28 13.118 -7.987 -3.967 1.00 72.31 C ATOM 423 O SER A 28 12.557 -7.442 -3.019 1.00 0.10 O ATOM 424 CB SER A 28 13.951 -10.372 -3.493 1.00 25.30 C ATOM 425 OG SER A 28 13.838 -11.714 -3.952 1.00 65.24 O ATOM 0 H SER A 28 13.757 -10.340 -5.933 1.00 51.01 H new ATOM 0 HA SER A 28 11.944 -9.736 -3.785 1.00 0.13 H new ATOM 0 HB2 SER A 28 14.956 -9.996 -3.683 1.00 25.30 H new ATOM 0 HB3 SER A 28 13.793 -10.331 -2.415 1.00 25.30 H new ATOM 0 HG SER A 28 14.500 -12.273 -3.495 1.00 65.24 H new ATOM 431 N ASP A 29 13.819 -7.303 -4.877 1.00 4.25 N ATOM 432 CA ASP A 29 13.975 -5.849 -4.925 1.00 21.52 C ATOM 433 C ASP A 29 12.738 -5.097 -5.425 1.00 21.13 C ATOM 434 O ASP A 29 12.820 -3.880 -5.559 1.00 4.11 O ATOM 435 CB ASP A 29 15.216 -5.441 -5.739 1.00 63.45 C ATOM 436 CG ASP A 29 15.139 -5.704 -7.249 1.00 12.22 C ATOM 437 OD1 ASP A 29 15.537 -6.817 -7.654 1.00 1.01 O ATOM 438 OD2 ASP A 29 14.783 -4.807 -8.051 1.00 32.10 O ATOM 0 H ASP A 29 14.316 -7.772 -5.635 1.00 4.25 H new ATOM 0 HA ASP A 29 14.111 -5.549 -3.886 1.00 21.52 H new ATOM 0 HB2 ASP A 29 15.396 -4.377 -5.583 1.00 63.45 H new ATOM 0 HB3 ASP A 29 16.080 -5.972 -5.340 1.00 63.45 H new ATOM 443 N TRP A 30 11.583 -5.743 -5.657 1.00 22.20 N ATOM 444 CA TRP A 30 10.374 -5.019 -6.074 1.00 24.33 C ATOM 445 C TRP A 30 10.058 -3.867 -5.107 1.00 42.34 C ATOM 446 O TRP A 30 9.686 -2.776 -5.527 1.00 54.53 O ATOM 447 CB TRP A 30 9.168 -5.967 -6.225 1.00 14.24 C ATOM 448 CG TRP A 30 8.411 -6.331 -4.972 1.00 51.21 C ATOM 449 CD1 TRP A 30 8.519 -7.474 -4.255 1.00 40.42 C ATOM 450 CD2 TRP A 30 7.404 -5.527 -4.283 1.00 35.40 C ATOM 451 NE1 TRP A 30 7.691 -7.407 -3.148 1.00 63.54 N ATOM 452 CE2 TRP A 30 6.935 -6.247 -3.144 1.00 4.24 C ATOM 453 CE3 TRP A 30 6.848 -4.250 -4.510 1.00 20.50 C ATOM 454 CZ2 TRP A 30 5.943 -5.721 -2.293 1.00 60.33 C ATOM 455 CZ3 TRP A 30 5.858 -3.719 -3.667 1.00 34.45 C ATOM 456 CH2 TRP A 30 5.403 -4.457 -2.565 1.00 1.02 C ATOM 0 H TRP A 30 11.463 -6.752 -5.564 1.00 22.20 H new ATOM 0 HA TRP A 30 10.573 -4.588 -7.055 1.00 24.33 H new ATOM 0 HB2 TRP A 30 8.466 -5.510 -6.922 1.00 14.24 H new ATOM 0 HB3 TRP A 30 9.520 -6.890 -6.686 1.00 14.24 H new ATOM 0 HD1 TRP A 30 9.154 -8.310 -4.508 1.00 40.42 H new ATOM 0 HE1 TRP A 30 7.644 -8.124 -2.424 1.00 63.54 H new ATOM 0 HE3 TRP A 30 7.192 -3.667 -5.352 1.00 20.50 H new ATOM 0 HZ2 TRP A 30 5.602 -6.287 -1.439 1.00 60.33 H new ATOM 0 HZ3 TRP A 30 5.447 -2.741 -3.868 1.00 34.45 H new ATOM 0 HH2 TRP A 30 4.635 -4.050 -1.924 1.00 1.02 H new ATOM 467 N VAL A 31 10.252 -4.100 -3.807 1.00 54.34 N ATOM 468 CA VAL A 31 10.042 -3.120 -2.749 1.00 40.24 C ATOM 469 C VAL A 31 10.959 -1.910 -2.958 1.00 4.04 C ATOM 470 O VAL A 31 10.564 -0.772 -2.707 1.00 24.20 O ATOM 471 CB VAL A 31 10.303 -3.826 -1.402 1.00 35.31 C ATOM 472 CG1 VAL A 31 10.363 -2.883 -0.207 1.00 11.42 C ATOM 473 CG2 VAL A 31 9.226 -4.875 -1.115 1.00 2.31 C ATOM 0 H VAL A 31 10.569 -5.004 -3.455 1.00 54.34 H new ATOM 0 HA VAL A 31 9.021 -2.739 -2.761 1.00 40.24 H new ATOM 0 HB VAL A 31 11.284 -4.286 -1.518 1.00 35.31 H new ATOM 0 HG11 VAL A 31 10.550 -3.457 0.701 1.00 11.42 H new ATOM 0 HG12 VAL A 31 11.168 -2.162 -0.352 1.00 11.42 H new ATOM 0 HG13 VAL A 31 9.415 -2.354 -0.113 1.00 11.42 H new ATOM 0 HG21 VAL A 31 9.434 -5.358 -0.160 1.00 2.31 H new ATOM 0 HG22 VAL A 31 8.250 -4.392 -1.073 1.00 2.31 H new ATOM 0 HG23 VAL A 31 9.227 -5.623 -1.907 1.00 2.31 H new ATOM 483 N ASP A 32 12.194 -2.147 -3.392 1.00 44.32 N ATOM 484 CA ASP A 32 13.197 -1.108 -3.583 1.00 15.20 C ATOM 485 C ASP A 32 12.868 -0.276 -4.820 1.00 3.02 C ATOM 486 O ASP A 32 13.005 0.948 -4.811 1.00 20.21 O ATOM 487 CB ASP A 32 14.578 -1.760 -3.703 1.00 21.52 C ATOM 488 CG ASP A 32 15.638 -0.823 -3.147 1.00 13.01 C ATOM 489 OD1 ASP A 32 15.789 -0.823 -1.901 1.00 0.23 O ATOM 490 OD2 ASP A 32 16.284 -0.106 -3.938 1.00 42.45 O ATOM 0 H ASP A 32 12.529 -3.082 -3.624 1.00 44.32 H new ATOM 0 HA ASP A 32 13.200 -0.435 -2.725 1.00 15.20 H new ATOM 0 HB2 ASP A 32 14.593 -2.705 -3.160 1.00 21.52 H new ATOM 0 HB3 ASP A 32 14.793 -1.989 -4.747 1.00 21.52 H new ATOM 495 N ARG A 33 12.351 -0.939 -5.860 1.00 72.31 N ATOM 496 CA ARG A 33 11.906 -0.286 -7.087 1.00 13.41 C ATOM 497 C ARG A 33 10.818 0.729 -6.786 1.00 3.42 C ATOM 498 O ARG A 33 10.886 1.844 -7.291 1.00 1.44 O ATOM 499 CB ARG A 33 11.371 -1.293 -8.111 1.00 3.24 C ATOM 500 CG ARG A 33 12.445 -2.202 -8.713 1.00 1.32 C ATOM 501 CD ARG A 33 11.774 -3.066 -9.781 1.00 14.20 C ATOM 502 NE ARG A 33 12.690 -4.063 -10.348 1.00 20.24 N ATOM 503 CZ ARG A 33 12.435 -4.771 -11.457 1.00 14.12 C ATOM 504 NH1 ARG A 33 11.256 -4.655 -12.068 1.00 62.13 N ATOM 505 NH2 ARG A 33 13.343 -5.619 -11.925 1.00 14.44 N ATOM 0 H ARG A 33 12.230 -1.952 -5.870 1.00 72.31 H new ATOM 0 HA ARG A 33 12.777 0.213 -7.512 1.00 13.41 H new ATOM 0 HB2 ARG A 33 10.612 -1.912 -7.633 1.00 3.24 H new ATOM 0 HB3 ARG A 33 10.878 -0.749 -8.916 1.00 3.24 H new ATOM 0 HG2 ARG A 33 13.248 -1.608 -9.150 1.00 1.32 H new ATOM 0 HG3 ARG A 33 12.894 -2.827 -7.941 1.00 1.32 H new ATOM 0 HD2 ARG A 33 10.913 -3.573 -9.346 1.00 14.20 H new ATOM 0 HD3 ARG A 33 11.398 -2.426 -10.579 1.00 14.20 H new ATOM 0 HE ARG A 33 13.575 -4.227 -9.868 1.00 20.24 H new ATOM 0 HH11 ARG A 33 10.546 -4.027 -11.692 1.00 62.13 H new ATOM 0 HH12 ARG A 33 11.064 -5.195 -12.912 1.00 62.13 H new ATOM 0 HH21 ARG A 33 14.234 -5.731 -11.441 1.00 14.44 H new ATOM 0 HH22 ARG A 33 13.150 -6.158 -12.769 1.00 14.44 H new ATOM 519 N MET A 34 9.803 0.377 -5.995 1.00 54.02 N ATOM 520 CA MET A 34 8.705 1.311 -5.766 1.00 14.41 C ATOM 521 C MET A 34 9.181 2.558 -5.016 1.00 64.45 C ATOM 522 O MET A 34 8.626 3.628 -5.233 1.00 13.34 O ATOM 523 CB MET A 34 7.536 0.643 -5.040 1.00 14.32 C ATOM 524 CG MET A 34 7.001 -0.596 -5.773 1.00 42.34 C ATOM 525 SD MET A 34 6.698 -0.433 -7.559 1.00 0.02 S ATOM 526 CE MET A 34 5.071 0.357 -7.552 1.00 31.32 C ATOM 0 H MET A 34 9.720 -0.520 -5.516 1.00 54.02 H new ATOM 0 HA MET A 34 8.343 1.628 -6.744 1.00 14.41 H new ATOM 0 HB2 MET A 34 7.855 0.356 -4.038 1.00 14.32 H new ATOM 0 HB3 MET A 34 6.728 1.365 -4.923 1.00 14.32 H new ATOM 0 HG2 MET A 34 7.710 -1.411 -5.623 1.00 42.34 H new ATOM 0 HG3 MET A 34 6.067 -0.894 -5.297 1.00 42.34 H new ATOM 0 HE1 MET A 34 4.650 0.333 -8.557 1.00 31.32 H new ATOM 0 HE2 MET A 34 4.410 -0.177 -6.869 1.00 31.32 H new ATOM 0 HE3 MET A 34 5.171 1.392 -7.225 1.00 31.32 H new ATOM 536 N CYS A 35 10.225 2.466 -4.184 1.00 72.22 N ATOM 537 CA CYS A 35 10.849 3.659 -3.626 1.00 13.34 C ATOM 538 C CYS A 35 11.511 4.499 -4.724 1.00 72.32 C ATOM 539 O CYS A 35 11.277 5.706 -4.781 1.00 3.21 O ATOM 540 CB CYS A 35 11.864 3.293 -2.539 1.00 40.53 C ATOM 541 SG CYS A 35 11.039 3.204 -0.926 1.00 22.42 S ATOM 0 H CYS A 35 10.648 1.586 -3.888 1.00 72.22 H new ATOM 0 HA CYS A 35 10.064 4.259 -3.167 1.00 13.34 H new ATOM 0 HB2 CYS A 35 12.330 2.335 -2.772 1.00 40.53 H new ATOM 0 HB3 CYS A 35 12.661 4.036 -2.509 1.00 40.53 H new ATOM 0 HG CYS A 35 11.908 2.891 -0.011 1.00 22.42 H new ATOM 547 N SER A 36 12.346 3.892 -5.574 1.00 60.35 N ATOM 548 CA SER A 36 13.085 4.607 -6.616 1.00 75.43 C ATOM 549 C SER A 36 12.150 5.335 -7.572 1.00 0.20 C ATOM 550 O SER A 36 12.348 6.506 -7.883 1.00 52.14 O ATOM 551 CB SER A 36 14.043 3.629 -7.302 1.00 3.31 C ATOM 552 OG SER A 36 13.499 2.678 -8.197 1.00 2.02 O ATOM 0 H SER A 36 12.528 2.888 -5.557 1.00 60.35 H new ATOM 0 HA SER A 36 13.687 5.399 -6.171 1.00 75.43 H new ATOM 0 HB2 SER A 36 14.783 4.215 -7.848 1.00 3.31 H new ATOM 0 HB3 SER A 36 14.578 3.086 -6.523 1.00 3.31 H new ATOM 0 HG SER A 36 12.607 2.412 -7.889 1.00 2.02 H new ATOM 558 N THR A 37 11.098 4.629 -7.954 1.00 63.34 N ATOM 559 CA THR A 37 10.028 5.059 -8.855 1.00 14.33 C ATOM 560 C THR A 37 9.376 6.402 -8.457 1.00 71.11 C ATOM 561 O THR A 37 8.834 7.093 -9.325 1.00 43.51 O ATOM 562 CB THR A 37 8.985 3.927 -8.928 1.00 1.05 C ATOM 563 OG1 THR A 37 9.584 2.736 -9.394 1.00 44.33 O ATOM 564 CG2 THR A 37 7.832 4.216 -9.881 1.00 71.11 C ATOM 0 H THR A 37 10.955 3.675 -7.623 1.00 63.34 H new ATOM 0 HA THR A 37 10.465 5.248 -9.836 1.00 14.33 H new ATOM 0 HB THR A 37 8.600 3.836 -7.912 1.00 1.05 H new ATOM 0 HG1 THR A 37 10.007 2.268 -8.644 1.00 44.33 H new ATOM 0 HG21 THR A 37 7.139 3.375 -9.879 1.00 71.11 H new ATOM 0 HG22 THR A 37 7.310 5.117 -9.558 1.00 71.11 H new ATOM 0 HG23 THR A 37 8.221 4.363 -10.889 1.00 71.11 H new ATOM 572 N TYR A 38 9.427 6.807 -7.184 1.00 11.25 N ATOM 573 CA TYR A 38 8.855 8.068 -6.701 1.00 11.00 C ATOM 574 C TYR A 38 9.929 8.976 -6.098 1.00 54.54 C ATOM 575 O TYR A 38 9.610 10.020 -5.525 1.00 43.42 O ATOM 576 CB TYR A 38 7.696 7.765 -5.736 1.00 55.04 C ATOM 577 CG TYR A 38 6.502 7.188 -6.470 1.00 41.03 C ATOM 578 CD1 TYR A 38 5.644 8.046 -7.182 1.00 34.51 C ATOM 579 CD2 TYR A 38 6.316 5.796 -6.544 1.00 2.24 C ATOM 580 CE1 TYR A 38 4.623 7.512 -7.985 1.00 14.14 C ATOM 581 CE2 TYR A 38 5.308 5.253 -7.357 1.00 4.50 C ATOM 582 CZ TYR A 38 4.462 6.112 -8.089 1.00 73.53 C ATOM 583 OH TYR A 38 3.505 5.595 -8.905 1.00 42.42 O ATOM 0 H TYR A 38 9.874 6.259 -6.449 1.00 11.25 H new ATOM 0 HA TYR A 38 8.445 8.630 -7.540 1.00 11.00 H new ATOM 0 HB2 TYR A 38 8.030 7.062 -4.973 1.00 55.04 H new ATOM 0 HB3 TYR A 38 7.401 8.679 -5.221 1.00 55.04 H new ATOM 0 HD1 TYR A 38 5.771 9.116 -7.111 1.00 34.51 H new ATOM 0 HD2 TYR A 38 6.954 5.139 -5.971 1.00 2.24 H new ATOM 0 HE1 TYR A 38 3.960 8.172 -8.524 1.00 14.14 H new ATOM 0 HE2 TYR A 38 5.181 4.182 -7.421 1.00 4.50 H new ATOM 0 HH TYR A 38 2.632 5.653 -8.463 1.00 42.42 H new ATOM 593 N ALA A 39 11.202 8.606 -6.216 1.00 62.13 N ATOM 594 CA ALA A 39 12.327 9.337 -5.666 1.00 13.10 C ATOM 595 C ALA A 39 12.685 10.539 -6.553 1.00 20.20 C ATOM 596 O ALA A 39 12.025 10.844 -7.553 1.00 60.41 O ATOM 597 CB ALA A 39 13.502 8.366 -5.506 1.00 32.23 C ATOM 0 H ALA A 39 11.482 7.761 -6.714 1.00 62.13 H new ATOM 0 HA ALA A 39 12.070 9.744 -4.688 1.00 13.10 H new ATOM 0 HB1 ALA A 39 14.359 8.897 -5.093 1.00 32.23 H new ATOM 0 HB2 ALA A 39 13.217 7.558 -4.832 1.00 32.23 H new ATOM 0 HB3 ALA A 39 13.766 7.951 -6.479 1.00 32.23 H new ATOM 603 N SER A 40 13.734 11.242 -6.152 1.00 44.05 N ATOM 604 CA SER A 40 14.373 12.345 -6.858 1.00 2.42 C ATOM 605 C SER A 40 15.777 12.528 -6.294 1.00 74.11 C ATOM 606 O SER A 40 16.093 12.030 -5.210 1.00 12.13 O ATOM 607 CB SER A 40 13.517 13.613 -6.717 1.00 3.14 C ATOM 608 OG SER A 40 13.037 13.829 -5.393 1.00 0.22 O ATOM 0 H SER A 40 14.194 11.044 -5.263 1.00 44.05 H new ATOM 0 HA SER A 40 14.457 12.133 -7.924 1.00 2.42 H new ATOM 0 HB2 SER A 40 14.106 14.476 -7.027 1.00 3.14 H new ATOM 0 HB3 SER A 40 12.668 13.546 -7.397 1.00 3.14 H new ATOM 0 HG SER A 40 12.502 14.650 -5.369 1.00 0.22 H new ATOM 728 N ARG A 48 17.184 10.095 -3.386 1.00 45.54 N ATOM 729 CA ARG A 48 16.548 10.261 -2.090 1.00 2.10 C ATOM 730 C ARG A 48 15.166 9.621 -2.163 1.00 5.00 C ATOM 731 O ARG A 48 14.230 10.209 -2.714 1.00 4.03 O ATOM 732 CB ARG A 48 16.491 11.758 -1.725 1.00 1.24 C ATOM 733 CG ARG A 48 16.627 12.068 -0.228 1.00 52.03 C ATOM 734 CD ARG A 48 15.798 11.142 0.674 1.00 0.40 C ATOM 735 NE ARG A 48 15.822 11.555 2.085 1.00 3.11 N ATOM 736 CZ ARG A 48 16.892 11.537 2.888 1.00 25.53 C ATOM 737 NH1 ARG A 48 18.025 10.953 2.502 1.00 41.15 N ATOM 738 NH2 ARG A 48 16.824 12.120 4.083 1.00 62.21 N ATOM 0 HA ARG A 48 17.116 9.770 -1.300 1.00 2.10 H new ATOM 0 HB2 ARG A 48 17.285 12.277 -2.261 1.00 1.24 H new ATOM 0 HB3 ARG A 48 15.545 12.167 -2.081 1.00 1.24 H new ATOM 0 HG2 ARG A 48 17.677 11.992 0.056 1.00 52.03 H new ATOM 0 HG3 ARG A 48 16.323 13.100 -0.051 1.00 52.03 H new ATOM 0 HD2 ARG A 48 14.767 11.126 0.322 1.00 0.40 H new ATOM 0 HD3 ARG A 48 16.179 10.124 0.591 1.00 0.40 H new ATOM 0 HE ARG A 48 14.945 11.885 2.488 1.00 3.11 H new ATOM 0 HH11 ARG A 48 18.085 10.512 1.584 1.00 41.15 H new ATOM 0 HH12 ARG A 48 18.833 10.947 3.124 1.00 41.15 H new ATOM 0 HH21 ARG A 48 15.961 12.576 4.380 1.00 62.21 H new ATOM 0 HH22 ARG A 48 17.635 12.111 4.702 1.00 62.21 H new ATOM 752 N TYR A 49 15.037 8.408 -1.643 1.00 64.24 N ATOM 753 CA TYR A 49 13.753 7.729 -1.514 1.00 51.23 C ATOM 754 C TYR A 49 12.852 8.586 -0.625 1.00 24.24 C ATOM 755 O TYR A 49 13.252 8.989 0.470 1.00 5.50 O ATOM 756 CB TYR A 49 13.928 6.305 -0.959 1.00 55.02 C ATOM 757 CG TYR A 49 14.691 5.298 -1.817 1.00 1.15 C ATOM 758 CD1 TYR A 49 15.013 5.551 -3.166 1.00 63.41 C ATOM 759 CD2 TYR A 49 15.025 4.047 -1.259 1.00 54.24 C ATOM 760 CE1 TYR A 49 15.690 4.584 -3.930 1.00 43.05 C ATOM 761 CE2 TYR A 49 15.685 3.067 -2.023 1.00 64.54 C ATOM 762 CZ TYR A 49 16.027 3.335 -3.366 1.00 5.03 C ATOM 763 OH TYR A 49 16.747 2.441 -4.098 1.00 22.30 O ATOM 0 H TYR A 49 15.826 7.863 -1.296 1.00 64.24 H new ATOM 0 HA TYR A 49 13.289 7.614 -2.493 1.00 51.23 H new ATOM 0 HB2 TYR A 49 14.436 6.380 0.002 1.00 55.02 H new ATOM 0 HB3 TYR A 49 12.936 5.897 -0.764 1.00 55.02 H new ATOM 0 HD1 TYR A 49 14.738 6.494 -3.616 1.00 63.41 H new ATOM 0 HD2 TYR A 49 14.771 3.838 -0.230 1.00 54.24 H new ATOM 0 HE1 TYR A 49 15.954 4.798 -4.955 1.00 43.05 H new ATOM 0 HE2 TYR A 49 15.929 2.112 -1.583 1.00 64.54 H new ATOM 0 HH TYR A 49 16.775 1.581 -3.629 1.00 22.30 H new ATOM 773 N SER A 50 11.671 8.924 -1.137 1.00 23.24 N ATOM 774 CA SER A 50 10.689 9.759 -0.458 1.00 40.41 C ATOM 775 C SER A 50 10.209 9.121 0.850 1.00 32.21 C ATOM 776 O SER A 50 10.244 7.898 0.978 1.00 60.25 O ATOM 777 CB SER A 50 9.530 9.975 -1.428 1.00 20.52 C ATOM 778 OG SER A 50 9.956 10.846 -2.458 1.00 15.45 O ATOM 0 H SER A 50 11.365 8.616 -2.060 1.00 23.24 H new ATOM 0 HA SER A 50 11.137 10.713 -0.179 1.00 40.41 H new ATOM 0 HB2 SER A 50 9.207 9.023 -1.848 1.00 20.52 H new ATOM 0 HB3 SER A 50 8.673 10.400 -0.904 1.00 20.52 H new ATOM 0 HG SER A 50 9.762 10.442 -3.329 1.00 15.45 H new ATOM 784 N PRO A 51 9.729 9.915 1.824 1.00 15.30 N ATOM 785 CA PRO A 51 9.426 9.415 3.157 1.00 31.53 C ATOM 786 C PRO A 51 8.156 8.565 3.189 1.00 21.14 C ATOM 787 O PRO A 51 8.008 7.741 4.087 1.00 32.44 O ATOM 788 CB PRO A 51 9.267 10.660 4.033 1.00 4.23 C ATOM 789 CG PRO A 51 8.790 11.726 3.048 1.00 11.31 C ATOM 790 CD PRO A 51 9.521 11.354 1.762 1.00 44.44 C ATOM 0 HA PRO A 51 10.221 8.758 3.510 1.00 31.53 H new ATOM 0 HB2 PRO A 51 8.544 10.499 4.833 1.00 4.23 H new ATOM 0 HB3 PRO A 51 10.208 10.942 4.506 1.00 4.23 H new ATOM 0 HG2 PRO A 51 7.708 11.701 2.919 1.00 11.31 H new ATOM 0 HG3 PRO A 51 9.048 12.730 3.383 1.00 11.31 H new ATOM 0 HD2 PRO A 51 8.933 11.626 0.886 1.00 44.44 H new ATOM 0 HD3 PRO A 51 10.471 11.883 1.685 1.00 44.44 H new ATOM 798 N TYR A 52 7.231 8.737 2.242 1.00 75.23 N ATOM 799 CA TYR A 52 5.910 8.116 2.310 1.00 34.14 C ATOM 800 C TYR A 52 5.910 6.624 1.981 1.00 3.23 C ATOM 801 O TYR A 52 4.852 6.034 1.775 1.00 1.13 O ATOM 802 CB TYR A 52 4.918 8.879 1.425 1.00 41.44 C ATOM 803 CG TYR A 52 4.862 10.366 1.709 1.00 55.33 C ATOM 804 CD1 TYR A 52 4.489 10.836 2.982 1.00 63.14 C ATOM 805 CD2 TYR A 52 5.171 11.284 0.693 1.00 43.05 C ATOM 806 CE1 TYR A 52 4.475 12.216 3.247 1.00 43.33 C ATOM 807 CE2 TYR A 52 5.176 12.661 0.955 1.00 55.04 C ATOM 808 CZ TYR A 52 4.890 13.133 2.256 1.00 24.21 C ATOM 809 OH TYR A 52 4.811 14.469 2.491 1.00 14.15 O ATOM 0 H TYR A 52 7.377 9.309 1.410 1.00 75.23 H new ATOM 0 HA TYR A 52 5.592 8.183 3.350 1.00 34.14 H new ATOM 0 HB2 TYR A 52 5.188 8.728 0.380 1.00 41.44 H new ATOM 0 HB3 TYR A 52 3.923 8.455 1.562 1.00 41.44 H new ATOM 0 HD1 TYR A 52 4.213 10.135 3.756 1.00 63.14 H new ATOM 0 HD2 TYR A 52 5.407 10.926 -0.298 1.00 43.05 H new ATOM 0 HE1 TYR A 52 4.146 12.576 4.211 1.00 43.33 H new ATOM 0 HE2 TYR A 52 5.398 13.361 0.163 1.00 55.04 H new ATOM 0 HH TYR A 52 5.137 14.959 1.707 1.00 14.15 H new ATOM 819 N LEU A 53 7.086 6.019 1.885 1.00 2.54 N ATOM 820 CA LEU A 53 7.345 4.756 1.239 1.00 43.24 C ATOM 821 C LEU A 53 8.530 4.168 1.979 1.00 25.53 C ATOM 822 O LEU A 53 9.589 4.797 1.994 1.00 62.44 O ATOM 823 CB LEU A 53 7.713 5.065 -0.225 1.00 4.40 C ATOM 824 CG LEU A 53 6.530 4.947 -1.194 1.00 40.05 C ATOM 825 CD1 LEU A 53 6.902 5.580 -2.541 1.00 25.11 C ATOM 826 CD2 LEU A 53 6.155 3.476 -1.405 1.00 13.21 C ATOM 0 H LEU A 53 7.931 6.429 2.283 1.00 2.54 H new ATOM 0 HA LEU A 53 6.502 4.066 1.253 1.00 43.24 H new ATOM 0 HB2 LEU A 53 8.120 6.074 -0.283 1.00 4.40 H new ATOM 0 HB3 LEU A 53 8.502 4.384 -0.544 1.00 4.40 H new ATOM 0 HG LEU A 53 5.674 5.470 -0.767 1.00 40.05 H new ATOM 0 HD11 LEU A 53 6.060 5.495 -3.228 1.00 25.11 H new ATOM 0 HD12 LEU A 53 7.145 6.632 -2.394 1.00 25.11 H new ATOM 0 HD13 LEU A 53 7.765 5.063 -2.960 1.00 25.11 H new ATOM 0 HD21 LEU A 53 5.314 3.410 -2.095 1.00 13.21 H new ATOM 0 HD22 LEU A 53 7.008 2.939 -1.820 1.00 13.21 H new ATOM 0 HD23 LEU A 53 5.876 3.031 -0.450 1.00 13.21 H new ATOM 838 N LYS A 54 8.373 3.020 2.643 1.00 13.33 N ATOM 839 CA LYS A 54 9.521 2.328 3.225 1.00 25.12 C ATOM 840 C LYS A 54 9.365 0.816 3.124 1.00 52.24 C ATOM 841 O LYS A 54 8.238 0.310 3.130 1.00 40.45 O ATOM 842 CB LYS A 54 9.776 2.759 4.689 1.00 13.05 C ATOM 843 CG LYS A 54 10.707 3.986 4.761 1.00 40.24 C ATOM 844 CD LYS A 54 11.571 4.081 6.026 1.00 72.23 C ATOM 845 CE LYS A 54 10.803 4.614 7.239 1.00 63.44 C ATOM 846 NZ LYS A 54 11.679 4.791 8.416 1.00 61.21 N ATOM 0 H LYS A 54 7.476 2.557 2.789 1.00 13.33 H new ATOM 0 HA LYS A 54 10.395 2.619 2.643 1.00 25.12 H new ATOM 0 HB2 LYS A 54 8.827 2.992 5.172 1.00 13.05 H new ATOM 0 HB3 LYS A 54 10.220 1.931 5.241 1.00 13.05 H new ATOM 0 HG2 LYS A 54 11.365 3.974 3.892 1.00 40.24 H new ATOM 0 HG3 LYS A 54 10.099 4.888 4.688 1.00 40.24 H new ATOM 0 HD2 LYS A 54 11.970 3.094 6.261 1.00 72.23 H new ATOM 0 HD3 LYS A 54 12.423 4.731 5.829 1.00 72.23 H new ATOM 0 HE2 LYS A 54 10.341 5.568 6.985 1.00 63.44 H new ATOM 0 HE3 LYS A 54 9.996 3.925 7.488 1.00 63.44 H new ATOM 0 HZ1 LYS A 54 11.119 5.153 9.214 1.00 61.21 H new ATOM 0 HZ2 LYS A 54 12.101 3.876 8.676 1.00 61.21 H new ATOM 0 HZ3 LYS A 54 12.435 5.468 8.188 1.00 61.21 H new ATOM 860 N PRO A 55 10.486 0.078 3.066 1.00 51.04 N ATOM 861 CA PRO A 55 10.467 -1.369 3.158 1.00 45.15 C ATOM 862 C PRO A 55 10.014 -1.793 4.552 1.00 21.13 C ATOM 863 O PRO A 55 10.084 -1.022 5.516 1.00 74.44 O ATOM 864 CB PRO A 55 11.909 -1.812 2.889 1.00 64.42 C ATOM 865 CG PRO A 55 12.755 -0.615 3.309 1.00 34.22 C ATOM 866 CD PRO A 55 11.854 0.578 3.015 1.00 55.44 C ATOM 0 HA PRO A 55 9.775 -1.822 2.448 1.00 45.15 H new ATOM 0 HB2 PRO A 55 12.166 -2.702 3.464 1.00 64.42 H new ATOM 0 HB3 PRO A 55 12.060 -2.057 1.838 1.00 64.42 H new ATOM 0 HG2 PRO A 55 13.024 -0.664 4.364 1.00 34.22 H new ATOM 0 HG3 PRO A 55 13.686 -0.564 2.744 1.00 34.22 H new ATOM 0 HD2 PRO A 55 12.006 1.370 3.748 1.00 55.44 H new ATOM 0 HD3 PRO A 55 12.077 1.002 2.036 1.00 55.44 H new ATOM 874 N ARG A 56 9.614 -3.055 4.677 1.00 20.52 N ATOM 875 CA ARG A 56 9.461 -3.733 5.959 1.00 21.40 C ATOM 876 C ARG A 56 10.089 -5.120 5.867 1.00 40.35 C ATOM 877 O ARG A 56 10.709 -5.465 4.850 1.00 22.24 O ATOM 878 CB ARG A 56 7.980 -3.731 6.389 1.00 0.53 C ATOM 879 CG ARG A 56 7.628 -2.346 6.952 1.00 62.15 C ATOM 880 CD ARG A 56 6.412 -2.375 7.870 1.00 14.42 C ATOM 881 NE ARG A 56 6.021 -0.995 8.187 1.00 34.11 N ATOM 882 CZ ARG A 56 4.817 -0.605 8.608 1.00 11.02 C ATOM 883 NH1 ARG A 56 4.017 -1.421 9.281 1.00 71.51 N ATOM 884 NH2 ARG A 56 4.410 0.619 8.329 1.00 20.14 N ATOM 0 H ARG A 56 9.383 -3.644 3.877 1.00 20.52 H new ATOM 0 HA ARG A 56 9.992 -3.203 6.750 1.00 21.40 H new ATOM 0 HB2 ARG A 56 7.340 -3.966 5.538 1.00 0.53 H new ATOM 0 HB3 ARG A 56 7.805 -4.500 7.142 1.00 0.53 H new ATOM 0 HG2 ARG A 56 8.484 -1.954 7.502 1.00 62.15 H new ATOM 0 HG3 ARG A 56 7.438 -1.660 6.126 1.00 62.15 H new ATOM 0 HD2 ARG A 56 5.587 -2.899 7.386 1.00 14.42 H new ATOM 0 HD3 ARG A 56 6.643 -2.921 8.785 1.00 14.42 H new ATOM 0 HE ARG A 56 6.732 -0.272 8.075 1.00 34.11 H new ATOM 0 HH11 ARG A 56 4.318 -2.373 9.489 1.00 71.51 H new ATOM 0 HH12 ARG A 56 3.101 -1.096 9.591 1.00 71.51 H new ATOM 0 HH21 ARG A 56 5.013 1.249 7.800 1.00 20.14 H new ATOM 0 HH22 ARG A 56 3.492 0.935 8.643 1.00 20.14 H new ATOM 898 N VAL A 57 9.932 -5.894 6.937 1.00 31.24 N ATOM 899 CA VAL A 57 9.769 -7.340 6.946 1.00 40.53 C ATOM 900 C VAL A 57 8.659 -7.656 7.966 1.00 41.42 C ATOM 901 O VAL A 57 8.636 -7.060 9.045 1.00 63.21 O ATOM 902 CB VAL A 57 11.110 -8.042 7.252 1.00 73.25 C ATOM 903 CG1 VAL A 57 10.904 -9.516 7.603 1.00 41.14 C ATOM 904 CG2 VAL A 57 12.053 -8.012 6.038 1.00 3.24 C ATOM 0 H VAL A 57 9.914 -5.501 7.878 1.00 31.24 H new ATOM 0 HA VAL A 57 9.472 -7.722 5.969 1.00 40.53 H new ATOM 0 HB VAL A 57 11.542 -7.499 8.093 1.00 73.25 H new ATOM 0 HG11 VAL A 57 11.869 -9.978 7.812 1.00 41.14 H new ATOM 0 HG12 VAL A 57 10.265 -9.595 8.483 1.00 41.14 H new ATOM 0 HG13 VAL A 57 10.431 -10.027 6.764 1.00 41.14 H new ATOM 0 HG21 VAL A 57 12.987 -8.515 6.290 1.00 3.24 H new ATOM 0 HG22 VAL A 57 11.581 -8.522 5.198 1.00 3.24 H new ATOM 0 HG23 VAL A 57 12.261 -6.978 5.764 1.00 3.24 H new ATOM 914 N ILE A 58 7.754 -8.580 7.635 1.00 41.03 N ATOM 915 CA ILE A 58 6.656 -9.092 8.455 1.00 14.01 C ATOM 916 C ILE A 58 6.546 -10.563 8.074 1.00 34.21 C ATOM 917 O ILE A 58 6.579 -10.868 6.880 1.00 74.41 O ATOM 918 CB ILE A 58 5.298 -8.373 8.204 1.00 42.45 C ATOM 919 CG1 ILE A 58 5.394 -6.846 8.482 1.00 3.54 C ATOM 920 CG2 ILE A 58 4.229 -9.016 9.101 1.00 71.13 C ATOM 921 CD1 ILE A 58 4.094 -6.035 8.385 1.00 24.31 C ATOM 0 H ILE A 58 7.772 -9.023 6.716 1.00 41.03 H new ATOM 0 HA ILE A 58 6.867 -8.925 9.511 1.00 14.01 H new ATOM 0 HB ILE A 58 5.027 -8.489 7.154 1.00 42.45 H new ATOM 0 HG12 ILE A 58 5.804 -6.709 9.483 1.00 3.54 H new ATOM 0 HG13 ILE A 58 6.112 -6.419 7.782 1.00 3.54 H new ATOM 0 HG21 ILE A 58 3.271 -8.523 8.936 1.00 71.13 H new ATOM 0 HG22 ILE A 58 4.138 -10.075 8.857 1.00 71.13 H new ATOM 0 HG23 ILE A 58 4.518 -8.908 10.146 1.00 71.13 H new ATOM 0 HD11 ILE A 58 4.302 -4.987 8.602 1.00 24.31 H new ATOM 0 HD12 ILE A 58 3.684 -6.123 7.379 1.00 24.31 H new ATOM 0 HD13 ILE A 58 3.372 -6.418 9.106 1.00 24.31 H new ATOM 933 N GLU A 59 6.450 -11.469 9.051 1.00 23.14 N ATOM 934 CA GLU A 59 6.452 -12.927 8.865 1.00 12.32 C ATOM 935 C GLU A 59 7.645 -13.378 7.999 1.00 2.10 C ATOM 936 O GLU A 59 7.600 -14.408 7.328 1.00 51.03 O ATOM 937 CB GLU A 59 5.089 -13.414 8.328 1.00 73.13 C ATOM 938 CG GLU A 59 3.949 -13.159 9.324 1.00 43.51 C ATOM 939 CD GLU A 59 2.576 -13.600 8.818 1.00 33.41 C ATOM 940 OE1 GLU A 59 2.350 -13.784 7.598 1.00 20.11 O ATOM 941 OE2 GLU A 59 1.644 -13.666 9.649 1.00 23.30 O ATOM 0 H GLU A 59 6.365 -11.199 10.031 1.00 23.14 H new ATOM 0 HA GLU A 59 6.589 -13.403 9.836 1.00 12.32 H new ATOM 0 HB2 GLU A 59 4.868 -12.907 7.388 1.00 73.13 H new ATOM 0 HB3 GLU A 59 5.146 -14.480 8.109 1.00 73.13 H new ATOM 0 HG2 GLU A 59 4.168 -13.683 10.254 1.00 43.51 H new ATOM 0 HG3 GLU A 59 3.915 -12.095 9.558 1.00 43.51 H new ATOM 948 N GLY A 60 8.722 -12.586 7.961 1.00 34.32 N ATOM 949 CA GLY A 60 9.897 -12.806 7.134 1.00 51.22 C ATOM 950 C GLY A 60 9.761 -12.289 5.693 1.00 25.22 C ATOM 951 O GLY A 60 10.780 -12.178 5.004 1.00 65.32 O ATOM 0 H GLY A 60 8.795 -11.743 8.531 1.00 34.32 H new ATOM 0 HA2 GLY A 60 10.753 -12.320 7.603 1.00 51.22 H new ATOM 0 HA3 GLY A 60 10.112 -13.874 7.106 1.00 51.22 H new ATOM 955 N VAL A 61 8.563 -11.935 5.221 1.00 1.23 N ATOM 956 CA VAL A 61 8.326 -11.408 3.874 1.00 34.10 C ATOM 957 C VAL A 61 8.664 -9.917 3.890 1.00 1.15 C ATOM 958 O VAL A 61 8.302 -9.239 4.844 1.00 11.24 O ATOM 959 CB VAL A 61 6.851 -11.607 3.441 1.00 45.42 C ATOM 960 CG1 VAL A 61 6.722 -11.622 1.903 1.00 21.11 C ATOM 961 CG2 VAL A 61 6.234 -12.904 3.963 1.00 35.41 C ATOM 0 H VAL A 61 7.711 -12.008 5.777 1.00 1.23 H new ATOM 0 HA VAL A 61 8.951 -11.944 3.159 1.00 34.10 H new ATOM 0 HB VAL A 61 6.314 -10.763 3.875 1.00 45.42 H new ATOM 0 HG11 VAL A 61 5.677 -11.763 1.627 1.00 21.11 H new ATOM 0 HG12 VAL A 61 7.080 -10.675 1.499 1.00 21.11 H new ATOM 0 HG13 VAL A 61 7.318 -12.439 1.496 1.00 21.11 H new ATOM 0 HG21 VAL A 61 5.201 -12.979 3.622 1.00 35.41 H new ATOM 0 HG22 VAL A 61 6.802 -13.755 3.587 1.00 35.41 H new ATOM 0 HG23 VAL A 61 6.258 -12.905 5.053 1.00 35.41 H new ATOM 971 N ARG A 62 9.332 -9.421 2.841 1.00 5.30 N ATOM 972 CA ARG A 62 9.783 -8.027 2.663 1.00 20.20 C ATOM 973 C ARG A 62 8.641 -7.005 2.784 1.00 43.22 C ATOM 974 O ARG A 62 8.371 -6.540 3.886 1.00 73.12 O ATOM 975 CB ARG A 62 10.644 -7.907 1.384 1.00 14.42 C ATOM 976 CG ARG A 62 9.966 -8.358 0.083 1.00 31.44 C ATOM 977 CD ARG A 62 10.918 -9.057 -0.899 1.00 4.32 C ATOM 978 NE ARG A 62 10.635 -10.497 -0.947 1.00 21.15 N ATOM 979 CZ ARG A 62 11.295 -11.520 -0.400 1.00 53.01 C ATOM 980 NH1 ARG A 62 12.479 -11.355 0.176 1.00 45.43 N ATOM 981 NH2 ARG A 62 10.716 -12.714 -0.426 1.00 62.54 N ATOM 0 H ARG A 62 9.588 -10.010 2.049 1.00 5.30 H new ATOM 0 HA ARG A 62 10.435 -7.759 3.495 1.00 20.20 H new ATOM 0 HB2 ARG A 62 10.951 -6.867 1.271 1.00 14.42 H new ATOM 0 HB3 ARG A 62 11.552 -8.495 1.522 1.00 14.42 H new ATOM 0 HG2 ARG A 62 9.147 -9.035 0.326 1.00 31.44 H new ATOM 0 HG3 ARG A 62 9.526 -7.489 -0.407 1.00 31.44 H new ATOM 0 HD2 ARG A 62 10.807 -8.625 -1.893 1.00 4.32 H new ATOM 0 HD3 ARG A 62 11.951 -8.893 -0.593 1.00 4.32 H new ATOM 0 HE ARG A 62 9.805 -10.756 -1.481 1.00 21.15 H new ATOM 0 HH11 ARG A 62 12.906 -10.429 0.208 1.00 45.43 H new ATOM 0 HH12 ARG A 62 12.962 -12.154 0.587 1.00 45.43 H new ATOM 0 HH21 ARG A 62 9.797 -12.826 -0.854 1.00 62.54 H new ATOM 0 HH22 ARG A 62 11.190 -13.520 -0.018 1.00 62.54 H new ATOM 995 N CYS A 63 7.904 -6.731 1.704 1.00 12.20 N ATOM 996 CA CYS A 63 6.726 -5.860 1.674 1.00 55.32 C ATOM 997 C CYS A 63 7.103 -4.380 1.784 1.00 53.05 C ATOM 998 O CYS A 63 8.249 -4.033 2.078 1.00 73.44 O ATOM 999 CB CYS A 63 5.705 -6.287 2.736 1.00 21.52 C ATOM 1000 SG CYS A 63 5.618 -8.111 2.795 1.00 31.12 S ATOM 0 H CYS A 63 8.121 -7.126 0.789 1.00 12.20 H new ATOM 0 HA CYS A 63 6.249 -5.976 0.701 1.00 55.32 H new ATOM 0 HB2 CYS A 63 5.992 -5.894 3.711 1.00 21.52 H new ATOM 0 HB3 CYS A 63 4.725 -5.873 2.501 1.00 21.52 H new ATOM 0 HG CYS A 63 5.109 -8.485 3.931 1.00 31.12 H new ATOM 1006 N LEU A 64 6.133 -3.518 1.488 1.00 0.43 N ATOM 1007 CA LEU A 64 6.310 -2.088 1.279 1.00 20.54 C ATOM 1008 C LEU A 64 5.175 -1.389 2.011 1.00 11.21 C ATOM 1009 O LEU A 64 4.010 -1.614 1.680 1.00 74.41 O ATOM 1010 CB LEU A 64 6.248 -1.806 -0.229 1.00 23.44 C ATOM 1011 CG LEU A 64 6.392 -0.319 -0.603 1.00 21.32 C ATOM 1012 CD1 LEU A 64 7.838 0.175 -0.467 1.00 2.00 C ATOM 1013 CD2 LEU A 64 5.935 -0.178 -2.056 1.00 4.13 C ATOM 0 H LEU A 64 5.162 -3.812 1.383 1.00 0.43 H new ATOM 0 HA LEU A 64 7.268 -1.731 1.656 1.00 20.54 H new ATOM 0 HB2 LEU A 64 7.037 -2.371 -0.725 1.00 23.44 H new ATOM 0 HB3 LEU A 64 5.299 -2.176 -0.617 1.00 23.44 H new ATOM 0 HG LEU A 64 5.789 0.285 0.075 1.00 21.32 H new ATOM 0 HD11 LEU A 64 7.890 1.229 -0.741 1.00 2.00 H new ATOM 0 HD12 LEU A 64 8.169 0.052 0.564 1.00 2.00 H new ATOM 0 HD13 LEU A 64 8.484 -0.404 -1.127 1.00 2.00 H new ATOM 0 HD21 LEU A 64 6.020 0.864 -2.365 1.00 4.13 H new ATOM 0 HD22 LEU A 64 6.562 -0.799 -2.696 1.00 4.13 H new ATOM 0 HD23 LEU A 64 4.897 -0.498 -2.144 1.00 4.13 H new ATOM 1025 N ALA A 65 5.510 -0.606 3.031 1.00 52.43 N ATOM 1026 CA ALA A 65 4.564 0.245 3.727 1.00 53.22 C ATOM 1027 C ALA A 65 4.399 1.547 2.934 1.00 61.24 C ATOM 1028 O ALA A 65 5.374 2.033 2.349 1.00 71.31 O ATOM 1029 CB ALA A 65 5.114 0.552 5.112 1.00 41.31 C ATOM 0 H ALA A 65 6.460 -0.547 3.399 1.00 52.43 H new ATOM 0 HA ALA A 65 3.597 -0.250 3.820 1.00 53.22 H new ATOM 0 HB1 ALA A 65 4.413 1.192 5.648 1.00 41.31 H new ATOM 0 HB2 ALA A 65 5.251 -0.378 5.663 1.00 41.31 H new ATOM 0 HB3 ALA A 65 6.072 1.063 5.018 1.00 41.31 H new ATOM 1035 N VAL A 66 3.205 2.141 2.960 1.00 0.02 N ATOM 1036 CA VAL A 66 2.874 3.352 2.213 1.00 5.03 C ATOM 1037 C VAL A 66 2.044 4.257 3.128 1.00 3.23 C ATOM 1038 O VAL A 66 1.022 3.835 3.677 1.00 44.31 O ATOM 1039 CB VAL A 66 2.136 3.041 0.892 1.00 4.32 C ATOM 1040 CG1 VAL A 66 2.354 4.199 -0.097 1.00 21.15 C ATOM 1041 CG2 VAL A 66 2.586 1.731 0.229 1.00 40.25 C ATOM 0 H VAL A 66 2.426 1.785 3.513 1.00 0.02 H new ATOM 0 HA VAL A 66 3.792 3.861 1.919 1.00 5.03 H new ATOM 0 HB VAL A 66 1.082 2.924 1.145 1.00 4.32 H new ATOM 0 HG11 VAL A 66 1.835 3.983 -1.031 1.00 21.15 H new ATOM 0 HG12 VAL A 66 1.962 5.122 0.331 1.00 21.15 H new ATOM 0 HG13 VAL A 66 3.420 4.314 -0.293 1.00 21.15 H new ATOM 0 HG21 VAL A 66 2.025 1.578 -0.693 1.00 40.25 H new ATOM 0 HG22 VAL A 66 3.651 1.785 0.001 1.00 40.25 H new ATOM 0 HG23 VAL A 66 2.402 0.898 0.908 1.00 40.25 H new ATOM 1051 N ASP A 67 2.508 5.488 3.319 1.00 0.20 N ATOM 1052 CA ASP A 67 1.830 6.550 4.061 1.00 53.31 C ATOM 1053 C ASP A 67 0.683 7.062 3.202 1.00 4.30 C ATOM 1054 O ASP A 67 0.889 7.347 2.017 1.00 32.31 O ATOM 1055 CB ASP A 67 2.812 7.701 4.311 1.00 41.21 C ATOM 1056 CG ASP A 67 2.770 8.282 5.715 1.00 40.44 C ATOM 1057 OD1 ASP A 67 1.700 8.811 6.083 1.00 15.02 O ATOM 1058 OD2 ASP A 67 3.832 8.273 6.386 1.00 51.42 O ATOM 0 H ASP A 67 3.408 5.788 2.944 1.00 0.20 H new ATOM 0 HA ASP A 67 1.462 6.171 5.015 1.00 53.31 H new ATOM 0 HB2 ASP A 67 3.823 7.347 4.110 1.00 41.21 H new ATOM 0 HB3 ASP A 67 2.605 8.498 3.597 1.00 41.21 H new ATOM 1063 N LEU A 68 -0.517 7.215 3.765 1.00 75.24 N ATOM 1064 CA LEU A 68 -1.648 7.742 3.002 1.00 32.32 C ATOM 1065 C LEU A 68 -1.543 9.242 2.697 1.00 24.51 C ATOM 1066 O LEU A 68 -2.304 9.746 1.874 1.00 54.31 O ATOM 1067 CB LEU A 68 -2.991 7.397 3.659 1.00 33.33 C ATOM 1068 CG LEU A 68 -3.776 6.394 2.801 1.00 43.44 C ATOM 1069 CD1 LEU A 68 -5.000 5.894 3.566 1.00 13.40 C ATOM 1070 CD2 LEU A 68 -4.220 6.977 1.450 1.00 3.11 C ATOM 0 H LEU A 68 -0.729 6.984 4.736 1.00 75.24 H new ATOM 0 HA LEU A 68 -1.605 7.238 2.037 1.00 32.32 H new ATOM 0 HB2 LEU A 68 -2.819 6.978 4.650 1.00 33.33 H new ATOM 0 HB3 LEU A 68 -3.579 8.305 3.794 1.00 33.33 H new ATOM 0 HG LEU A 68 -3.097 5.568 2.589 1.00 43.44 H new ATOM 0 HD11 LEU A 68 -5.550 5.183 2.949 1.00 13.40 H new ATOM 0 HD12 LEU A 68 -4.679 5.404 4.485 1.00 13.40 H new ATOM 0 HD13 LEU A 68 -5.646 6.737 3.811 1.00 13.40 H new ATOM 0 HD21 LEU A 68 -4.770 6.220 0.890 1.00 3.11 H new ATOM 0 HD22 LEU A 68 -4.863 7.841 1.620 1.00 3.11 H new ATOM 0 HD23 LEU A 68 -3.343 7.284 0.880 1.00 3.11 H new ATOM 1082 N LYS A 69 -0.592 9.966 3.305 1.00 44.12 N ATOM 1083 CA LYS A 69 -0.460 11.401 3.027 1.00 12.14 C ATOM 1084 C LYS A 69 -0.073 11.618 1.566 1.00 72.22 C ATOM 1085 O LYS A 69 -0.545 12.574 0.962 1.00 63.24 O ATOM 1086 CB LYS A 69 0.526 12.081 3.998 1.00 31.43 C ATOM 1087 CG LYS A 69 0.153 13.522 4.392 1.00 53.43 C ATOM 1088 CD LYS A 69 0.604 14.524 3.336 1.00 13.44 C ATOM 1089 CE LYS A 69 0.411 16.005 3.602 1.00 71.22 C ATOM 1090 NZ LYS A 69 -0.959 16.424 3.960 1.00 13.21 N ATOM 0 H LYS A 69 0.080 9.593 3.975 1.00 44.12 H new ATOM 0 HA LYS A 69 -1.427 11.876 3.193 1.00 12.14 H new ATOM 0 HB2 LYS A 69 0.596 11.478 4.903 1.00 31.43 H new ATOM 0 HB3 LYS A 69 1.516 12.088 3.542 1.00 31.43 H new ATOM 0 HG2 LYS A 69 -0.926 13.596 4.528 1.00 53.43 H new ATOM 0 HG3 LYS A 69 0.612 13.769 5.349 1.00 53.43 H new ATOM 0 HD2 LYS A 69 1.666 14.357 3.155 1.00 13.44 H new ATOM 0 HD3 LYS A 69 0.082 14.285 2.410 1.00 13.44 H new ATOM 0 HE2 LYS A 69 1.082 16.300 4.408 1.00 71.22 H new ATOM 0 HE3 LYS A 69 0.718 16.557 2.714 1.00 71.22 H new ATOM 0 HZ1 LYS A 69 -0.927 17.354 4.424 1.00 13.21 H new ATOM 0 HZ2 LYS A 69 -1.539 16.486 3.099 1.00 13.21 H new ATOM 0 HZ3 LYS A 69 -1.377 15.727 4.609 1.00 13.21 H new ATOM 1104 N LEU A 70 0.712 10.720 0.955 1.00 14.54 N ATOM 1105 CA LEU A 70 1.092 10.852 -0.455 1.00 31.33 C ATOM 1106 C LEU A 70 -0.151 11.044 -1.354 1.00 62.13 C ATOM 1107 O LEU A 70 -0.055 11.746 -2.356 1.00 0.45 O ATOM 1108 CB LEU A 70 1.983 9.674 -0.890 1.00 32.44 C ATOM 1109 CG LEU A 70 2.215 9.564 -2.414 1.00 61.13 C ATOM 1110 CD1 LEU A 70 3.100 10.707 -2.929 1.00 4.04 C ATOM 1111 CD2 LEU A 70 2.870 8.224 -2.757 1.00 32.10 C ATOM 0 H LEU A 70 1.095 9.895 1.417 1.00 14.54 H new ATOM 0 HA LEU A 70 1.691 11.755 -0.576 1.00 31.33 H new ATOM 0 HB2 LEU A 70 2.950 9.766 -0.395 1.00 32.44 H new ATOM 0 HB3 LEU A 70 1.532 8.746 -0.538 1.00 32.44 H new ATOM 0 HG LEU A 70 1.242 9.632 -2.900 1.00 61.13 H new ATOM 0 HD11 LEU A 70 3.244 10.600 -4.004 1.00 4.04 H new ATOM 0 HD12 LEU A 70 2.618 11.662 -2.721 1.00 4.04 H new ATOM 0 HD13 LEU A 70 4.068 10.672 -2.429 1.00 4.04 H new ATOM 0 HD21 LEU A 70 3.027 8.161 -3.834 1.00 32.10 H new ATOM 0 HD22 LEU A 70 3.829 8.146 -2.245 1.00 32.10 H new ATOM 0 HD23 LEU A 70 2.221 7.409 -2.437 1.00 32.10 H new ATOM 1123 N LYS A 71 -1.322 10.492 -1.010 1.00 11.33 N ATOM 1124 CA LYS A 71 -2.550 10.604 -1.799 1.00 12.10 C ATOM 1125 C LYS A 71 -3.073 12.033 -1.783 1.00 60.43 C ATOM 1126 O LYS A 71 -3.618 12.479 -2.786 1.00 2.04 O ATOM 1127 CB LYS A 71 -3.615 9.633 -1.243 1.00 32.20 C ATOM 1128 CG LYS A 71 -4.929 9.547 -2.050 1.00 62.24 C ATOM 1129 CD LYS A 71 -4.780 8.652 -3.285 1.00 73.14 C ATOM 1130 CE LYS A 71 -5.995 8.715 -4.213 1.00 2.00 C ATOM 1131 NZ LYS A 71 -5.764 8.005 -5.493 1.00 63.33 N ATOM 0 H LYS A 71 -1.442 9.945 -0.158 1.00 11.33 H new ATOM 0 HA LYS A 71 -2.329 10.338 -2.833 1.00 12.10 H new ATOM 0 HB2 LYS A 71 -3.178 8.636 -1.188 1.00 32.20 H new ATOM 0 HB3 LYS A 71 -3.856 9.932 -0.223 1.00 32.20 H new ATOM 0 HG2 LYS A 71 -5.723 9.157 -1.412 1.00 62.24 H new ATOM 0 HG3 LYS A 71 -5.231 10.547 -2.360 1.00 62.24 H new ATOM 0 HD2 LYS A 71 -3.890 8.950 -3.839 1.00 73.14 H new ATOM 0 HD3 LYS A 71 -4.626 7.622 -2.965 1.00 73.14 H new ATOM 0 HE2 LYS A 71 -6.857 8.279 -3.709 1.00 2.00 H new ATOM 0 HE3 LYS A 71 -6.239 9.757 -4.418 1.00 2.00 H new ATOM 0 HZ1 LYS A 71 -6.523 8.242 -6.164 1.00 63.33 H new ATOM 0 HZ2 LYS A 71 -4.848 8.295 -5.890 1.00 63.33 H new ATOM 0 HZ3 LYS A 71 -5.759 6.979 -5.325 1.00 63.33 H new ATOM 1145 N ASP A 72 -2.888 12.771 -0.696 1.00 52.53 N ATOM 1146 CA ASP A 72 -3.237 14.184 -0.633 1.00 12.34 C ATOM 1147 C ASP A 72 -2.402 14.970 -1.639 1.00 41.13 C ATOM 1148 O ASP A 72 -2.940 15.737 -2.440 1.00 23.31 O ATOM 1149 CB ASP A 72 -2.979 14.711 0.780 1.00 21.20 C ATOM 1150 CG ASP A 72 -3.024 16.233 0.848 1.00 22.24 C ATOM 1151 OD1 ASP A 72 -3.985 16.865 0.365 1.00 4.24 O ATOM 1152 OD2 ASP A 72 -2.082 16.812 1.439 1.00 45.21 O ATOM 0 H ASP A 72 -2.491 12.405 0.169 1.00 52.53 H new ATOM 0 HA ASP A 72 -4.292 14.306 -0.877 1.00 12.34 H new ATOM 0 HB2 ASP A 72 -3.723 14.297 1.461 1.00 21.20 H new ATOM 0 HB3 ASP A 72 -2.005 14.363 1.123 1.00 21.20 H new ATOM 1157 N THR A 73 -1.083 14.781 -1.594 1.00 62.33 N ATOM 1158 CA THR A 73 -0.146 15.645 -2.302 1.00 2.32 C ATOM 1159 C THR A 73 0.068 15.211 -3.772 1.00 55.44 C ATOM 1160 O THR A 73 0.287 16.060 -4.636 1.00 44.12 O ATOM 1161 CB THR A 73 1.143 15.730 -1.452 1.00 21.14 C ATOM 1162 OG1 THR A 73 1.857 16.921 -1.701 1.00 52.02 O ATOM 1163 CG2 THR A 73 2.070 14.541 -1.686 1.00 73.34 C ATOM 0 H THR A 73 -0.639 14.028 -1.068 1.00 62.33 H new ATOM 0 HA THR A 73 -0.551 16.651 -2.407 1.00 2.32 H new ATOM 0 HB THR A 73 0.812 15.718 -0.413 1.00 21.14 H new ATOM 0 HG1 THR A 73 2.664 16.941 -1.145 1.00 52.02 H new ATOM 0 HG21 THR A 73 2.961 14.647 -1.067 1.00 73.34 H new ATOM 0 HG22 THR A 73 1.552 13.619 -1.423 1.00 73.34 H new ATOM 0 HG23 THR A 73 2.360 14.507 -2.736 1.00 73.34 H new ATOM 1171 N ASN A 74 0.005 13.913 -4.090 1.00 3.34 N ATOM 1172 CA ASN A 74 0.116 13.330 -5.429 1.00 40.43 C ATOM 1173 C ASN A 74 -0.763 12.071 -5.483 1.00 34.30 C ATOM 1174 O ASN A 74 -0.257 10.946 -5.367 1.00 71.12 O ATOM 1175 CB ASN A 74 1.584 13.028 -5.801 1.00 43.05 C ATOM 1176 CG ASN A 74 1.726 12.346 -7.167 1.00 22.25 C ATOM 1177 OD1 ASN A 74 0.782 12.208 -7.937 1.00 74.21 O ATOM 1178 ND2 ASN A 74 2.913 11.904 -7.538 1.00 13.41 N ATOM 0 H ASN A 74 -0.133 13.199 -3.375 1.00 3.34 H new ATOM 0 HA ASN A 74 -0.236 14.047 -6.171 1.00 40.43 H new ATOM 0 HB2 ASN A 74 2.151 13.959 -5.805 1.00 43.05 H new ATOM 0 HB3 ASN A 74 2.024 12.390 -5.035 1.00 43.05 H new ATOM 0 HD21 ASN A 74 3.030 11.459 -8.448 1.00 13.41 H new ATOM 0 HD22 ASN A 74 3.714 12.008 -6.914 1.00 13.41 H new ATOM 1185 N PRO A 75 -2.087 12.234 -5.653 1.00 2.20 N ATOM 1186 CA PRO A 75 -3.018 11.118 -5.694 1.00 60.21 C ATOM 1187 C PRO A 75 -2.751 10.146 -6.840 1.00 33.44 C ATOM 1188 O PRO A 75 -2.980 8.947 -6.656 1.00 71.33 O ATOM 1189 CB PRO A 75 -4.418 11.739 -5.794 1.00 31.21 C ATOM 1190 CG PRO A 75 -4.169 13.152 -6.312 1.00 13.20 C ATOM 1191 CD PRO A 75 -2.815 13.495 -5.704 1.00 40.12 C ATOM 0 HA PRO A 75 -2.908 10.509 -4.797 1.00 60.21 H new ATOM 0 HB2 PRO A 75 -5.056 11.173 -6.473 1.00 31.21 H new ATOM 0 HB3 PRO A 75 -4.917 11.753 -4.825 1.00 31.21 H new ATOM 0 HG2 PRO A 75 -4.145 13.186 -7.401 1.00 13.20 H new ATOM 0 HG3 PRO A 75 -4.946 13.845 -5.989 1.00 13.20 H new ATOM 0 HD2 PRO A 75 -2.286 14.230 -6.310 1.00 40.12 H new ATOM 0 HD3 PRO A 75 -2.928 13.925 -4.709 1.00 40.12 H new ATOM 1199 N GLU A 76 -2.254 10.635 -7.980 1.00 14.22 N ATOM 1200 CA GLU A 76 -1.901 9.852 -9.161 1.00 75.13 C ATOM 1201 C GLU A 76 -0.806 8.838 -8.837 1.00 55.54 C ATOM 1202 O GLU A 76 -0.870 7.677 -9.250 1.00 43.03 O ATOM 1203 CB GLU A 76 -1.415 10.820 -10.248 1.00 41.21 C ATOM 1204 CG GLU A 76 -1.135 10.130 -11.586 1.00 72.52 C ATOM 1205 CD GLU A 76 -1.604 10.966 -12.780 1.00 64.41 C ATOM 1206 OE1 GLU A 76 -1.324 12.181 -12.867 1.00 51.43 O ATOM 1207 OE2 GLU A 76 -2.281 10.376 -13.659 1.00 0.45 O ATOM 0 H GLU A 76 -2.080 11.632 -8.107 1.00 14.22 H new ATOM 0 HA GLU A 76 -2.774 9.298 -9.505 1.00 75.13 H new ATOM 0 HB2 GLU A 76 -2.166 11.596 -10.397 1.00 41.21 H new ATOM 0 HB3 GLU A 76 -0.507 11.316 -9.905 1.00 41.21 H new ATOM 0 HG2 GLU A 76 -0.066 9.939 -11.677 1.00 72.52 H new ATOM 0 HG3 GLU A 76 -1.635 9.162 -11.605 1.00 72.52 H new ATOM 1214 N GLY A 77 0.191 9.294 -8.079 1.00 74.13 N ATOM 1215 CA GLY A 77 1.300 8.485 -7.611 1.00 74.41 C ATOM 1216 C GLY A 77 0.798 7.323 -6.769 1.00 5.01 C ATOM 1217 O GLY A 77 0.992 6.166 -7.135 1.00 71.42 O ATOM 0 H GLY A 77 0.245 10.264 -7.769 1.00 74.13 H new ATOM 0 HA2 GLY A 77 1.865 8.106 -8.462 1.00 74.41 H new ATOM 0 HA3 GLY A 77 1.982 9.099 -7.023 1.00 74.41 H new ATOM 1221 N PHE A 78 0.113 7.626 -5.664 1.00 21.43 N ATOM 1222 CA PHE A 78 -0.413 6.585 -4.782 1.00 41.53 C ATOM 1223 C PHE A 78 -1.339 5.630 -5.534 1.00 71.51 C ATOM 1224 O PHE A 78 -1.257 4.426 -5.336 1.00 32.10 O ATOM 1225 CB PHE A 78 -1.152 7.194 -3.598 1.00 12.20 C ATOM 1226 CG PHE A 78 -1.591 6.155 -2.581 1.00 22.43 C ATOM 1227 CD1 PHE A 78 -0.689 5.684 -1.608 1.00 54.51 C ATOM 1228 CD2 PHE A 78 -2.904 5.652 -2.599 1.00 25.44 C ATOM 1229 CE1 PHE A 78 -1.143 4.857 -0.566 1.00 21.23 C ATOM 1230 CE2 PHE A 78 -3.354 4.811 -1.569 1.00 51.51 C ATOM 1231 CZ PHE A 78 -2.481 4.437 -0.536 1.00 61.42 C ATOM 0 H PHE A 78 -0.089 8.579 -5.361 1.00 21.43 H new ATOM 0 HA PHE A 78 0.440 6.017 -4.411 1.00 41.53 H new ATOM 0 HB2 PHE A 78 -0.507 7.924 -3.109 1.00 12.20 H new ATOM 0 HB3 PHE A 78 -2.027 7.734 -3.960 1.00 12.20 H new ATOM 0 HD1 PHE A 78 0.354 5.959 -1.662 1.00 54.51 H new ATOM 0 HD2 PHE A 78 -3.569 5.914 -3.409 1.00 25.44 H new ATOM 0 HE1 PHE A 78 -0.462 4.545 0.212 1.00 21.23 H new ATOM 0 HE2 PHE A 78 -4.372 4.452 -1.572 1.00 51.51 H new ATOM 0 HZ PHE A 78 -2.839 3.827 0.280 1.00 61.42 H new ATOM 1241 N ASN A 79 -2.200 6.151 -6.410 1.00 3.11 N ATOM 1242 CA ASN A 79 -3.077 5.368 -7.278 1.00 34.20 C ATOM 1243 C ASN A 79 -2.298 4.297 -8.042 1.00 60.24 C ATOM 1244 O ASN A 79 -2.577 3.108 -7.897 1.00 53.03 O ATOM 1245 CB ASN A 79 -3.799 6.330 -8.226 1.00 22.41 C ATOM 1246 CG ASN A 79 -4.242 5.671 -9.517 1.00 1.31 C ATOM 1247 OD1 ASN A 79 -5.218 4.929 -9.517 1.00 5.45 O ATOM 1248 ND2 ASN A 79 -3.574 5.970 -10.615 1.00 63.42 N ATOM 0 H ASN A 79 -2.308 7.157 -6.538 1.00 3.11 H new ATOM 0 HA ASN A 79 -3.811 4.835 -6.674 1.00 34.20 H new ATOM 0 HB2 ASN A 79 -4.670 6.745 -7.719 1.00 22.41 H new ATOM 0 HB3 ASN A 79 -3.138 7.165 -8.459 1.00 22.41 H new ATOM 0 HD21 ASN A 79 -3.864 5.579 -11.511 1.00 63.42 H new ATOM 0 HD22 ASN A 79 -2.767 6.592 -10.568 1.00 63.42 H new ATOM 1255 N GLN A 80 -1.293 4.712 -8.812 1.00 52.14 N ATOM 1256 CA GLN A 80 -0.446 3.787 -9.557 1.00 2.22 C ATOM 1257 C GLN A 80 0.285 2.808 -8.632 1.00 23.45 C ATOM 1258 O GLN A 80 0.618 1.694 -9.041 1.00 40.14 O ATOM 1259 CB GLN A 80 0.579 4.581 -10.376 1.00 34.15 C ATOM 1260 CG GLN A 80 0.007 5.189 -11.664 1.00 14.32 C ATOM 1261 CD GLN A 80 0.910 4.869 -12.853 1.00 3.00 C ATOM 1262 OE1 GLN A 80 0.658 3.921 -13.593 1.00 43.41 O ATOM 1263 NE2 GLN A 80 1.979 5.617 -13.065 1.00 62.52 N ATOM 0 H GLN A 80 -1.045 5.694 -8.935 1.00 52.14 H new ATOM 0 HA GLN A 80 -1.088 3.204 -10.217 1.00 2.22 H new ATOM 0 HB2 GLN A 80 0.984 5.381 -9.756 1.00 34.15 H new ATOM 0 HB3 GLN A 80 1.411 3.925 -10.633 1.00 34.15 H new ATOM 0 HG2 GLN A 80 -0.994 4.798 -11.844 1.00 14.32 H new ATOM 0 HG3 GLN A 80 -0.088 6.269 -11.552 1.00 14.32 H new ATOM 0 HE21 GLN A 80 2.183 6.403 -12.447 1.00 62.52 H new ATOM 0 HE22 GLN A 80 2.600 5.409 -13.847 1.00 62.52 H new ATOM 1272 N LEU A 81 0.581 3.209 -7.396 1.00 60.31 N ATOM 1273 CA LEU A 81 1.238 2.351 -6.421 1.00 21.10 C ATOM 1274 C LEU A 81 0.297 1.258 -5.935 1.00 51.44 C ATOM 1275 O LEU A 81 0.714 0.105 -5.818 1.00 54.23 O ATOM 1276 CB LEU A 81 1.713 3.188 -5.232 1.00 13.12 C ATOM 1277 CG LEU A 81 3.064 2.671 -4.705 1.00 20.45 C ATOM 1278 CD1 LEU A 81 3.990 3.817 -4.323 1.00 15.31 C ATOM 1279 CD2 LEU A 81 2.886 1.778 -3.489 1.00 14.45 C ATOM 0 H LEU A 81 0.369 4.143 -7.045 1.00 60.31 H new ATOM 0 HA LEU A 81 2.094 1.879 -6.902 1.00 21.10 H new ATOM 0 HB2 LEU A 81 1.810 4.232 -5.531 1.00 13.12 H new ATOM 0 HB3 LEU A 81 0.969 3.152 -4.436 1.00 13.12 H new ATOM 0 HG LEU A 81 3.507 2.096 -5.518 1.00 20.45 H new ATOM 0 HD11 LEU A 81 4.934 3.415 -3.955 1.00 15.31 H new ATOM 0 HD12 LEU A 81 4.177 4.440 -5.197 1.00 15.31 H new ATOM 0 HD13 LEU A 81 3.523 4.418 -3.542 1.00 15.31 H new ATOM 0 HD21 LEU A 81 3.861 1.432 -3.146 1.00 14.45 H new ATOM 0 HD22 LEU A 81 2.399 2.341 -2.692 1.00 14.45 H new ATOM 0 HD23 LEU A 81 2.270 0.919 -3.755 1.00 14.45 H new ATOM 1291 N MET A 82 -0.966 1.615 -5.678 1.00 45.52 N ATOM 1292 CA MET A 82 -2.001 0.659 -5.334 1.00 51.34 C ATOM 1293 C MET A 82 -2.147 -0.344 -6.480 1.00 54.24 C ATOM 1294 O MET A 82 -2.158 -1.553 -6.243 1.00 34.21 O ATOM 1295 CB MET A 82 -3.360 1.328 -5.048 1.00 34.45 C ATOM 1296 CG MET A 82 -3.391 2.251 -3.826 1.00 42.34 C ATOM 1297 SD MET A 82 -2.980 1.516 -2.220 1.00 2.32 S ATOM 1298 CE MET A 82 -4.359 0.390 -1.926 1.00 35.44 C ATOM 0 H MET A 82 -1.291 2.581 -5.705 1.00 45.52 H new ATOM 0 HA MET A 82 -1.699 0.157 -4.415 1.00 51.34 H new ATOM 0 HB2 MET A 82 -3.655 1.904 -5.925 1.00 34.45 H new ATOM 0 HB3 MET A 82 -4.109 0.548 -4.913 1.00 34.45 H new ATOM 0 HG2 MET A 82 -2.700 3.074 -4.007 1.00 42.34 H new ATOM 0 HG3 MET A 82 -4.389 2.683 -3.754 1.00 42.34 H new ATOM 0 HE1 MET A 82 -4.218 -0.117 -0.971 1.00 35.44 H new ATOM 0 HE2 MET A 82 -5.291 0.955 -1.902 1.00 35.44 H new ATOM 0 HE3 MET A 82 -4.402 -0.349 -2.726 1.00 35.44 H new ATOM 1308 N HIS A 83 -2.221 0.143 -7.726 1.00 53.43 N ATOM 1309 CA HIS A 83 -2.448 -0.682 -8.911 1.00 22.55 C ATOM 1310 C HIS A 83 -1.381 -1.767 -9.074 1.00 14.10 C ATOM 1311 O HIS A 83 -1.680 -2.879 -9.511 1.00 0.42 O ATOM 1312 CB HIS A 83 -2.478 0.203 -10.165 1.00 71.22 C ATOM 1313 CG HIS A 83 -3.004 -0.491 -11.403 1.00 33.44 C ATOM 1314 ND1 HIS A 83 -2.780 -0.112 -12.708 1.00 3.23 N ATOM 1315 CD2 HIS A 83 -3.797 -1.607 -11.437 1.00 75.34 C ATOM 1316 CE1 HIS A 83 -3.432 -0.975 -13.504 1.00 11.23 C ATOM 1317 NE2 HIS A 83 -4.075 -1.903 -12.776 1.00 24.14 N ATOM 0 H HIS A 83 -2.123 1.136 -7.938 1.00 53.43 H new ATOM 0 HA HIS A 83 -3.409 -1.180 -8.781 1.00 22.55 H new ATOM 0 HB2 HIS A 83 -3.095 1.078 -9.963 1.00 71.22 H new ATOM 0 HB3 HIS A 83 -1.469 0.564 -10.365 1.00 71.22 H new ATOM 0 HD2 HIS A 83 -4.147 -2.162 -10.579 1.00 75.34 H new ATOM 0 HE1 HIS A 83 -3.439 -0.929 -14.583 1.00 11.23 H new ATOM 0 HE2 HIS A 83 -4.650 -2.669 -13.128 1.00 24.14 H new ATOM 1325 N PHE A 84 -0.139 -1.455 -8.702 1.00 64.21 N ATOM 1326 CA PHE A 84 0.969 -2.404 -8.721 1.00 1.01 C ATOM 1327 C PHE A 84 0.657 -3.664 -7.898 1.00 73.42 C ATOM 1328 O PHE A 84 1.080 -4.770 -8.256 1.00 2.32 O ATOM 1329 CB PHE A 84 2.238 -1.704 -8.228 1.00 32.13 C ATOM 1330 CG PHE A 84 3.454 -2.603 -8.193 1.00 52.11 C ATOM 1331 CD1 PHE A 84 3.671 -3.485 -7.115 1.00 62.34 C ATOM 1332 CD2 PHE A 84 4.382 -2.538 -9.244 1.00 20.42 C ATOM 1333 CE1 PHE A 84 4.823 -4.285 -7.088 1.00 42.54 C ATOM 1334 CE2 PHE A 84 5.554 -3.305 -9.195 1.00 24.11 C ATOM 1335 CZ PHE A 84 5.776 -4.170 -8.113 1.00 51.52 C ATOM 0 H PHE A 84 0.126 -0.526 -8.376 1.00 64.21 H new ATOM 0 HA PHE A 84 1.126 -2.743 -9.745 1.00 1.01 H new ATOM 0 HB2 PHE A 84 2.446 -0.851 -8.874 1.00 32.13 H new ATOM 0 HB3 PHE A 84 2.060 -1.310 -7.228 1.00 32.13 H new ATOM 0 HD1 PHE A 84 2.952 -3.545 -6.312 1.00 62.34 H new ATOM 0 HD2 PHE A 84 4.193 -1.896 -10.092 1.00 20.42 H new ATOM 0 HE1 PHE A 84 4.976 -4.987 -6.282 1.00 42.54 H new ATOM 0 HE2 PHE A 84 6.284 -3.230 -9.988 1.00 24.11 H new ATOM 0 HZ PHE A 84 6.685 -4.751 -8.068 1.00 51.52 H new ATOM 1345 N ALA A 85 -0.093 -3.524 -6.802 1.00 11.11 N ATOM 1346 CA ALA A 85 -0.557 -4.674 -6.038 1.00 0.00 C ATOM 1347 C ALA A 85 -1.475 -5.559 -6.872 1.00 43.54 C ATOM 1348 O ALA A 85 -1.266 -6.771 -6.925 1.00 13.25 O ATOM 1349 CB ALA A 85 -1.262 -4.250 -4.755 1.00 42.05 C ATOM 0 H ALA A 85 -0.390 -2.623 -6.427 1.00 11.11 H new ATOM 0 HA ALA A 85 0.327 -5.251 -5.766 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.594 -5.135 -4.212 1.00 42.05 H new ATOM 0 HB2 ALA A 85 -0.573 -3.680 -4.132 1.00 42.05 H new ATOM 0 HB3 ALA A 85 -2.125 -3.631 -5.001 1.00 42.05 H new ATOM 1355 N THR A 86 -2.481 -4.974 -7.519 1.00 24.12 N ATOM 1356 CA THR A 86 -3.448 -5.689 -8.343 1.00 41.01 C ATOM 1357 C THR A 86 -2.751 -6.372 -9.526 1.00 52.34 C ATOM 1358 O THR A 86 -3.126 -7.471 -9.939 1.00 23.43 O ATOM 1359 CB THR A 86 -4.496 -4.674 -8.848 1.00 22.24 C ATOM 1360 OG1 THR A 86 -4.717 -3.637 -7.912 1.00 0.41 O ATOM 1361 CG2 THR A 86 -5.831 -5.307 -9.231 1.00 20.20 C ATOM 0 H THR A 86 -2.648 -3.968 -7.483 1.00 24.12 H new ATOM 0 HA THR A 86 -3.934 -6.466 -7.753 1.00 41.01 H new ATOM 0 HB THR A 86 -4.062 -4.257 -9.757 1.00 22.24 H new ATOM 0 HG1 THR A 86 -5.385 -3.013 -8.266 1.00 0.41 H new ATOM 0 HG21 THR A 86 -6.515 -4.532 -9.576 1.00 20.20 H new ATOM 0 HG22 THR A 86 -5.674 -6.033 -10.028 1.00 20.20 H new ATOM 0 HG23 THR A 86 -6.258 -5.808 -8.363 1.00 20.20 H new ATOM 1369 N GLU A 87 -1.713 -5.728 -10.061 1.00 33.22 N ATOM 1370 CA GLU A 87 -0.858 -6.250 -11.107 1.00 1.13 C ATOM 1371 C GLU A 87 -0.264 -7.581 -10.670 1.00 23.20 C ATOM 1372 O GLU A 87 -0.548 -8.591 -11.310 1.00 22.33 O ATOM 1373 CB GLU A 87 0.206 -5.195 -11.468 1.00 23.10 C ATOM 1374 CG GLU A 87 -0.184 -4.275 -12.634 1.00 4.31 C ATOM 1375 CD GLU A 87 -0.294 -5.004 -13.975 1.00 32.12 C ATOM 1376 OE1 GLU A 87 0.225 -6.136 -14.093 1.00 13.20 O ATOM 1377 OE2 GLU A 87 -0.861 -4.432 -14.932 1.00 51.22 O ATOM 0 H GLU A 87 -1.441 -4.792 -9.760 1.00 33.22 H new ATOM 0 HA GLU A 87 -1.431 -6.449 -12.013 1.00 1.13 H new ATOM 0 HB2 GLU A 87 0.406 -4.582 -10.589 1.00 23.10 H new ATOM 0 HB3 GLU A 87 1.136 -5.705 -11.719 1.00 23.10 H new ATOM 0 HG2 GLU A 87 -1.139 -3.800 -12.408 1.00 4.31 H new ATOM 0 HG3 GLU A 87 0.555 -3.479 -12.722 1.00 4.31 H new ATOM 1384 N ASN A 88 0.509 -7.641 -9.581 1.00 14.24 N ATOM 1385 CA ASN A 88 1.300 -8.835 -9.306 1.00 60.15 C ATOM 1386 C ASN A 88 0.542 -9.779 -8.374 1.00 43.03 C ATOM 1387 O ASN A 88 1.015 -10.861 -8.046 1.00 20.54 O ATOM 1388 CB ASN A 88 2.657 -8.345 -8.827 1.00 12.03 C ATOM 1389 CG ASN A 88 3.302 -7.561 -9.961 1.00 61.33 C ATOM 1390 OD1 ASN A 88 3.755 -8.113 -10.959 1.00 15.12 O ATOM 1391 ND2 ASN A 88 3.245 -6.241 -9.885 1.00 12.00 N ATOM 0 H ASN A 88 0.601 -6.894 -8.893 1.00 14.24 H new ATOM 0 HA ASN A 88 1.474 -9.458 -10.183 1.00 60.15 H new ATOM 0 HB2 ASN A 88 2.545 -7.715 -7.944 1.00 12.03 H new ATOM 0 HB3 ASN A 88 3.287 -9.187 -8.540 1.00 12.03 H new ATOM 0 HD21 ASN A 88 3.580 -5.671 -10.661 1.00 12.00 H new ATOM 0 HD22 ASN A 88 2.866 -5.794 -9.050 1.00 12.00 H new ATOM 1398 N GLN A 89 -0.662 -9.354 -7.994 1.00 60.33 N ATOM 1399 CA GLN A 89 -1.710 -10.025 -7.223 1.00 12.31 C ATOM 1400 C GLN A 89 -1.349 -10.092 -5.739 1.00 60.35 C ATOM 1401 O GLN A 89 -1.688 -11.059 -5.045 1.00 55.22 O ATOM 1402 CB GLN A 89 -2.085 -11.414 -7.766 1.00 74.11 C ATOM 1403 CG GLN A 89 -2.446 -11.485 -9.255 1.00 32.44 C ATOM 1404 CD GLN A 89 -1.335 -12.157 -10.050 1.00 4.04 C ATOM 1405 OE1 GLN A 89 -1.167 -13.382 -10.009 1.00 1.12 O ATOM 1406 NE2 GLN A 89 -0.555 -11.369 -10.767 1.00 4.15 N ATOM 0 H GLN A 89 -0.963 -8.414 -8.251 1.00 60.33 H new ATOM 0 HA GLN A 89 -2.602 -9.409 -7.338 1.00 12.31 H new ATOM 0 HB2 GLN A 89 -1.250 -12.090 -7.584 1.00 74.11 H new ATOM 0 HB3 GLN A 89 -2.931 -11.790 -7.190 1.00 74.11 H new ATOM 0 HG2 GLN A 89 -3.376 -12.039 -9.382 1.00 32.44 H new ATOM 0 HG3 GLN A 89 -2.618 -10.480 -9.640 1.00 32.44 H new ATOM 0 HE21 GLN A 89 -0.720 -10.363 -10.780 1.00 4.15 H new ATOM 0 HE22 GLN A 89 0.213 -11.767 -11.308 1.00 4.15 H new ATOM 1415 N LEU A 90 -0.566 -9.124 -5.254 1.00 52.23 N ATOM 1416 CA LEU A 90 -0.088 -9.142 -3.905 1.00 34.43 C ATOM 1417 C LEU A 90 -1.212 -8.899 -2.922 1.00 12.00 C ATOM 1418 O LEU A 90 -2.185 -8.207 -3.222 1.00 32.52 O ATOM 1419 CB LEU A 90 0.984 -8.085 -3.763 1.00 60.14 C ATOM 1420 CG LEU A 90 2.070 -8.163 -4.848 1.00 11.43 C ATOM 1421 CD1 LEU A 90 2.449 -9.534 -5.403 1.00 64.41 C ATOM 1422 CD2 LEU A 90 2.124 -6.938 -5.726 1.00 65.14 C ATOM 0 H LEU A 90 -0.258 -8.318 -5.798 1.00 52.23 H new ATOM 0 HA LEU A 90 0.327 -10.125 -3.681 1.00 34.43 H new ATOM 0 HB2 LEU A 90 0.518 -7.100 -3.796 1.00 60.14 H new ATOM 0 HB3 LEU A 90 1.452 -8.183 -2.784 1.00 60.14 H new ATOM 0 HG LEU A 90 3.016 -8.085 -4.311 1.00 11.43 H new ATOM 0 HD11 LEU A 90 3.227 -9.419 -6.158 1.00 64.41 H new ATOM 0 HD12 LEU A 90 2.819 -10.164 -4.594 1.00 64.41 H new ATOM 0 HD13 LEU A 90 1.572 -9.999 -5.854 1.00 64.41 H new ATOM 0 HD21 LEU A 90 2.911 -7.058 -6.470 1.00 65.14 H new ATOM 0 HD22 LEU A 90 1.166 -6.809 -6.229 1.00 65.14 H new ATOM 0 HD23 LEU A 90 2.334 -6.061 -5.114 1.00 65.14 H new ATOM 1434 N ASN A 91 -1.034 -9.448 -1.730 1.00 41.12 N ATOM 1435 CA ASN A 91 -1.948 -9.268 -0.628 1.00 32.32 C ATOM 1436 C ASN A 91 -1.839 -7.821 -0.137 1.00 44.54 C ATOM 1437 O ASN A 91 -0.801 -7.426 0.394 1.00 40.25 O ATOM 1438 CB ASN A 91 -1.605 -10.288 0.464 1.00 5.33 C ATOM 1439 CG ASN A 91 -2.785 -10.534 1.383 1.00 14.42 C ATOM 1440 OD1 ASN A 91 -3.732 -9.760 1.404 1.00 23.42 O ATOM 1441 ND2 ASN A 91 -2.785 -11.628 2.113 1.00 14.34 N ATOM 0 H ASN A 91 -0.235 -10.040 -1.504 1.00 41.12 H new ATOM 0 HA ASN A 91 -2.982 -9.440 -0.928 1.00 32.32 H new ATOM 0 HB2 ASN A 91 -1.299 -11.227 0.003 1.00 5.33 H new ATOM 0 HB3 ASN A 91 -0.757 -9.928 1.047 1.00 5.33 H new ATOM 0 HD21 ASN A 91 -3.584 -11.843 2.710 1.00 14.34 H new ATOM 0 HD22 ASN A 91 -1.986 -12.262 2.082 1.00 14.34 H new ATOM 1448 N ILE A 92 -2.852 -6.996 -0.392 1.00 53.14 N ATOM 1449 CA ILE A 92 -2.928 -5.643 0.156 1.00 42.42 C ATOM 1450 C ILE A 92 -3.345 -5.812 1.609 1.00 53.23 C ATOM 1451 O ILE A 92 -4.397 -6.407 1.865 1.00 24.13 O ATOM 1452 CB ILE A 92 -3.931 -4.739 -0.601 1.00 34.54 C ATOM 1453 CG1 ILE A 92 -3.641 -4.739 -2.115 1.00 22.22 C ATOM 1454 CG2 ILE A 92 -3.860 -3.301 -0.040 1.00 72.22 C ATOM 1455 CD1 ILE A 92 -4.617 -3.884 -2.929 1.00 74.23 C ATOM 0 H ILE A 92 -3.644 -7.246 -0.984 1.00 53.14 H new ATOM 0 HA ILE A 92 -1.965 -5.142 0.055 1.00 42.42 H new ATOM 0 HB ILE A 92 -4.936 -5.134 -0.453 1.00 34.54 H new ATOM 0 HG12 ILE A 92 -2.627 -4.375 -2.282 1.00 22.22 H new ATOM 0 HG13 ILE A 92 -3.676 -5.764 -2.483 1.00 22.22 H new ATOM 0 HG21 ILE A 92 -4.567 -2.667 -0.575 1.00 72.22 H new ATOM 0 HG22 ILE A 92 -4.112 -3.311 1.020 1.00 72.22 H new ATOM 0 HG23 ILE A 92 -2.851 -2.909 -0.170 1.00 72.22 H new ATOM 0 HD11 ILE A 92 -4.350 -3.933 -3.985 1.00 74.23 H new ATOM 0 HD12 ILE A 92 -5.631 -4.260 -2.793 1.00 74.23 H new ATOM 0 HD13 ILE A 92 -4.565 -2.850 -2.589 1.00 74.23 H new ATOM 1467 N LEU A 93 -2.533 -5.322 2.536 1.00 20.31 N ATOM 1468 CA LEU A 93 -2.816 -5.250 3.944 1.00 4.54 C ATOM 1469 C LEU A 93 -2.974 -3.798 4.380 1.00 5.45 C ATOM 1470 O LEU A 93 -2.716 -2.859 3.621 1.00 54.13 O ATOM 1471 CB LEU A 93 -1.679 -5.864 4.766 1.00 5.43 C ATOM 1472 CG LEU A 93 -1.105 -7.194 4.297 1.00 65.34 C ATOM 1473 CD1 LEU A 93 0.062 -7.606 5.184 1.00 22.54 C ATOM 1474 CD2 LEU A 93 -2.119 -8.333 4.195 1.00 75.33 C ATOM 0 H LEU A 93 -1.613 -4.947 2.303 1.00 20.31 H new ATOM 0 HA LEU A 93 -3.739 -5.804 4.117 1.00 4.54 H new ATOM 0 HB2 LEU A 93 -0.864 -5.141 4.803 1.00 5.43 H new ATOM 0 HB3 LEU A 93 -2.036 -5.994 5.788 1.00 5.43 H new ATOM 0 HG LEU A 93 -0.766 -7.018 3.276 1.00 65.34 H new ATOM 0 HD11 LEU A 93 0.463 -8.559 4.838 1.00 22.54 H new ATOM 0 HD12 LEU A 93 0.841 -6.845 5.137 1.00 22.54 H new ATOM 0 HD13 LEU A 93 -0.282 -7.710 6.213 1.00 22.54 H new ATOM 0 HD21 LEU A 93 -1.617 -9.238 3.854 1.00 75.33 H new ATOM 0 HD22 LEU A 93 -2.564 -8.512 5.174 1.00 75.33 H new ATOM 0 HD23 LEU A 93 -2.900 -8.062 3.485 1.00 75.33 H new ATOM 1486 N ASP A 94 -3.330 -3.643 5.647 1.00 63.52 N ATOM 1487 CA ASP A 94 -3.435 -2.368 6.359 1.00 42.55 C ATOM 1488 C ASP A 94 -2.261 -2.205 7.334 1.00 74.34 C ATOM 1489 O ASP A 94 -1.308 -2.985 7.316 1.00 62.15 O ATOM 1490 CB ASP A 94 -4.777 -2.244 7.101 1.00 4.55 C ATOM 1491 CG ASP A 94 -4.761 -2.865 8.498 1.00 21.34 C ATOM 1492 OD1 ASP A 94 -4.582 -4.093 8.633 1.00 34.15 O ATOM 1493 OD2 ASP A 94 -4.857 -2.103 9.479 1.00 15.04 O ATOM 0 H ASP A 94 -3.566 -4.439 6.239 1.00 63.52 H new ATOM 0 HA ASP A 94 -3.393 -1.568 5.620 1.00 42.55 H new ATOM 0 HB2 ASP A 94 -5.041 -1.190 7.184 1.00 4.55 H new ATOM 0 HB3 ASP A 94 -5.557 -2.723 6.508 1.00 4.55 H new ATOM 1498 N ALA A 95 -2.336 -1.178 8.183 1.00 3.22 N ATOM 1499 CA ALA A 95 -1.329 -0.862 9.186 1.00 15.10 C ATOM 1500 C ALA A 95 -1.156 -1.951 10.248 1.00 0.33 C ATOM 1501 O ALA A 95 -0.045 -2.141 10.755 1.00 0.01 O ATOM 1502 CB ALA A 95 -1.662 0.477 9.855 1.00 52.02 C ATOM 0 H ALA A 95 -3.122 -0.528 8.188 1.00 3.22 H new ATOM 0 HA ALA A 95 -0.377 -0.796 8.659 1.00 15.10 H new ATOM 0 HB1 ALA A 95 -0.905 0.708 10.604 1.00 52.02 H new ATOM 0 HB2 ALA A 95 -1.680 1.265 9.102 1.00 52.02 H new ATOM 0 HB3 ALA A 95 -2.639 0.411 10.334 1.00 52.02 H new ATOM 1508 N GLU A 96 -2.226 -2.654 10.612 1.00 13.21 N ATOM 1509 CA GLU A 96 -2.167 -3.816 11.495 1.00 40.32 C ATOM 1510 C GLU A 96 -1.647 -5.034 10.731 1.00 22.22 C ATOM 1511 O GLU A 96 -0.893 -5.843 11.280 1.00 15.32 O ATOM 1512 CB GLU A 96 -3.558 -4.092 12.065 1.00 21.10 C ATOM 1513 CG GLU A 96 -4.045 -2.948 12.966 1.00 42.34 C ATOM 1514 CD GLU A 96 -5.425 -3.221 13.559 1.00 41.03 C ATOM 1515 OE1 GLU A 96 -6.348 -3.596 12.804 1.00 40.44 O ATOM 1516 OE2 GLU A 96 -5.601 -2.998 14.782 1.00 25.24 O ATOM 0 H GLU A 96 -3.170 -2.430 10.298 1.00 13.21 H new ATOM 0 HA GLU A 96 -1.481 -3.612 12.317 1.00 40.32 H new ATOM 0 HB2 GLU A 96 -4.264 -4.235 11.247 1.00 21.10 H new ATOM 0 HB3 GLU A 96 -3.539 -5.021 12.636 1.00 21.10 H new ATOM 0 HG2 GLU A 96 -3.329 -2.796 13.774 1.00 42.34 H new ATOM 0 HG3 GLU A 96 -4.077 -2.023 12.389 1.00 42.34 H new ATOM 1523 N GLY A 97 -1.991 -5.130 9.450 1.00 11.52 N ATOM 1524 CA GLY A 97 -1.561 -6.169 8.535 1.00 33.30 C ATOM 1525 C GLY A 97 -2.679 -7.176 8.246 1.00 51.32 C ATOM 1526 O GLY A 97 -2.393 -8.310 7.858 1.00 73.33 O ATOM 0 H GLY A 97 -2.607 -4.450 9.006 1.00 11.52 H new ATOM 0 HA2 GLY A 97 -1.231 -5.716 7.600 1.00 33.30 H new ATOM 0 HA3 GLY A 97 -0.702 -6.691 8.957 1.00 33.30 H new ATOM 1530 N ASN A 98 -3.937 -6.774 8.457 1.00 65.55 N ATOM 1531 CA ASN A 98 -5.145 -7.465 8.011 1.00 12.04 C ATOM 1532 C ASN A 98 -5.229 -7.349 6.490 1.00 13.12 C ATOM 1533 O ASN A 98 -4.994 -6.261 5.969 1.00 2.02 O ATOM 1534 CB ASN A 98 -6.402 -6.771 8.569 1.00 75.23 C ATOM 1535 CG ASN A 98 -6.413 -6.527 10.069 1.00 75.13 C ATOM 1536 OD1 ASN A 98 -6.488 -7.466 10.854 1.00 31.12 O ATOM 1537 ND2 ASN A 98 -6.435 -5.271 10.470 1.00 52.35 N ATOM 0 H ASN A 98 -4.147 -5.917 8.968 1.00 65.55 H new ATOM 0 HA ASN A 98 -5.099 -8.500 8.351 1.00 12.04 H new ATOM 0 HB2 ASN A 98 -6.519 -5.813 8.063 1.00 75.23 H new ATOM 0 HB3 ASN A 98 -7.272 -7.376 8.312 1.00 75.23 H new ATOM 0 HD21 ASN A 98 -6.517 -5.054 11.463 1.00 52.35 H new ATOM 0 HD22 ASN A 98 -6.370 -4.516 9.787 1.00 52.35 H new ATOM 1544 N SER A 99 -5.620 -8.405 5.773 1.00 45.13 N ATOM 1545 CA SER A 99 -5.772 -8.357 4.321 1.00 0.52 C ATOM 1546 C SER A 99 -7.059 -7.609 3.922 1.00 61.23 C ATOM 1547 O SER A 99 -8.161 -8.007 4.316 1.00 44.35 O ATOM 1548 CB SER A 99 -5.661 -9.773 3.757 1.00 71.14 C ATOM 1549 OG SER A 99 -6.420 -10.735 4.475 1.00 75.21 O ATOM 0 H SER A 99 -5.839 -9.313 6.183 1.00 45.13 H new ATOM 0 HA SER A 99 -4.966 -7.776 3.873 1.00 0.52 H new ATOM 0 HB2 SER A 99 -5.989 -9.767 2.717 1.00 71.14 H new ATOM 0 HB3 SER A 99 -4.613 -10.074 3.759 1.00 71.14 H new ATOM 0 HG SER A 99 -6.306 -11.616 4.062 1.00 75.21 H new ATOM 1555 N ILE A 100 -6.946 -6.523 3.154 1.00 40.12 N ATOM 1556 CA ILE A 100 -8.032 -5.604 2.784 1.00 24.43 C ATOM 1557 C ILE A 100 -8.068 -5.381 1.262 1.00 13.30 C ATOM 1558 O ILE A 100 -7.245 -5.930 0.530 1.00 53.33 O ATOM 1559 CB ILE A 100 -7.888 -4.278 3.573 1.00 24.12 C ATOM 1560 CG1 ILE A 100 -6.490 -3.635 3.403 1.00 4.42 C ATOM 1561 CG2 ILE A 100 -8.203 -4.509 5.064 1.00 44.42 C ATOM 1562 CD1 ILE A 100 -6.498 -2.131 3.678 1.00 23.54 C ATOM 0 H ILE A 100 -6.051 -6.244 2.752 1.00 40.12 H new ATOM 0 HA ILE A 100 -8.990 -6.049 3.055 1.00 24.43 H new ATOM 0 HB ILE A 100 -8.610 -3.575 3.158 1.00 24.12 H new ATOM 0 HG12 ILE A 100 -5.786 -4.121 4.079 1.00 4.42 H new ATOM 0 HG13 ILE A 100 -6.133 -3.813 2.389 1.00 4.42 H new ATOM 0 HG21 ILE A 100 -8.098 -3.570 5.608 1.00 44.42 H new ATOM 0 HG22 ILE A 100 -9.224 -4.876 5.168 1.00 44.42 H new ATOM 0 HG23 ILE A 100 -7.510 -5.244 5.473 1.00 44.42 H new ATOM 0 HD11 ILE A 100 -5.493 -1.731 3.544 1.00 23.54 H new ATOM 0 HD12 ILE A 100 -7.180 -1.638 2.985 1.00 23.54 H new ATOM 0 HD13 ILE A 100 -6.827 -1.950 4.701 1.00 23.54 H new ATOM 1574 N ASP A 101 -9.024 -4.591 0.762 1.00 52.11 N ATOM 1575 CA ASP A 101 -9.098 -4.182 -0.645 1.00 12.43 C ATOM 1576 C ASP A 101 -8.701 -2.726 -0.772 1.00 62.23 C ATOM 1577 O ASP A 101 -8.741 -1.968 0.194 1.00 1.13 O ATOM 1578 CB ASP A 101 -10.507 -4.344 -1.241 1.00 14.23 C ATOM 1579 CG ASP A 101 -10.542 -5.387 -2.355 1.00 72.24 C ATOM 1580 OD1 ASP A 101 -9.714 -5.278 -3.291 1.00 35.10 O ATOM 1581 OD2 ASP A 101 -11.382 -6.313 -2.279 1.00 23.34 O ATOM 0 H ASP A 101 -9.780 -4.212 1.332 1.00 52.11 H new ATOM 0 HA ASP A 101 -8.418 -4.833 -1.195 1.00 12.43 H new ATOM 0 HB2 ASP A 101 -11.203 -4.632 -0.453 1.00 14.23 H new ATOM 0 HB3 ASP A 101 -10.847 -3.385 -1.632 1.00 14.23 H new ATOM 1586 N ALA A 102 -8.413 -2.319 -2.003 1.00 20.22 N ATOM 1587 CA ALA A 102 -7.974 -0.958 -2.298 1.00 4.31 C ATOM 1588 C ALA A 102 -9.116 0.056 -2.180 1.00 74.42 C ATOM 1589 O ALA A 102 -8.870 1.239 -1.943 1.00 40.23 O ATOM 1590 CB ALA A 102 -7.361 -0.912 -3.694 1.00 21.11 C ATOM 0 H ALA A 102 -8.477 -2.921 -2.824 1.00 20.22 H new ATOM 0 HA ALA A 102 -7.224 -0.679 -1.558 1.00 4.31 H new ATOM 0 HB1 ALA A 102 -7.033 0.104 -3.914 1.00 21.11 H new ATOM 0 HB2 ALA A 102 -6.506 -1.587 -3.738 1.00 21.11 H new ATOM 0 HB3 ALA A 102 -8.105 -1.220 -4.428 1.00 21.11 H new ATOM 1596 N ALA A 103 -10.368 -0.394 -2.314 1.00 35.32 N ATOM 1597 CA ALA A 103 -11.540 0.447 -2.108 1.00 71.15 C ATOM 1598 C ALA A 103 -11.598 0.980 -0.680 1.00 55.24 C ATOM 1599 O ALA A 103 -12.061 2.094 -0.468 1.00 60.12 O ATOM 1600 CB ALA A 103 -12.802 -0.360 -2.401 1.00 22.44 C ATOM 0 H ALA A 103 -10.592 -1.356 -2.569 1.00 35.32 H new ATOM 0 HA ALA A 103 -11.472 1.298 -2.786 1.00 71.15 H new ATOM 0 HB1 ALA A 103 -13.679 0.268 -2.247 1.00 22.44 H new ATOM 0 HB2 ALA A 103 -12.780 -0.707 -3.434 1.00 22.44 H new ATOM 0 HB3 ALA A 103 -12.849 -1.219 -1.731 1.00 22.44 H new ATOM 1606 N GLN A 104 -11.100 0.216 0.295 1.00 44.01 N ATOM 1607 CA GLN A 104 -11.042 0.655 1.680 1.00 0.50 C ATOM 1608 C GLN A 104 -10.000 1.762 1.901 1.00 44.33 C ATOM 1609 O GLN A 104 -9.878 2.224 3.032 1.00 53.43 O ATOM 1610 CB GLN A 104 -10.775 -0.553 2.592 1.00 21.23 C ATOM 1611 CG GLN A 104 -12.002 -1.480 2.709 1.00 62.33 C ATOM 1612 CD GLN A 104 -12.215 -1.951 4.147 1.00 24.44 C ATOM 1613 OE1 GLN A 104 -12.202 -1.144 5.072 1.00 72.23 O ATOM 1614 NE2 GLN A 104 -12.420 -3.241 4.368 1.00 13.13 N ATOM 0 H GLN A 104 -10.728 -0.721 0.141 1.00 44.01 H new ATOM 0 HA GLN A 104 -12.007 1.092 1.936 1.00 0.50 H new ATOM 0 HB2 GLN A 104 -9.930 -1.120 2.202 1.00 21.23 H new ATOM 0 HB3 GLN A 104 -10.492 -0.201 3.584 1.00 21.23 H new ATOM 0 HG2 GLN A 104 -12.891 -0.953 2.362 1.00 62.33 H new ATOM 0 HG3 GLN A 104 -11.869 -2.344 2.058 1.00 62.33 H new ATOM 0 HE21 GLN A 104 -12.428 -3.897 3.587 1.00 13.13 H new ATOM 0 HE22 GLN A 104 -12.570 -3.578 5.319 1.00 13.13 H new ATOM 1623 N VAL A 105 -9.267 2.195 0.866 1.00 71.13 N ATOM 1624 CA VAL A 105 -8.107 3.071 0.970 1.00 33.53 C ATOM 1625 C VAL A 105 -8.348 4.364 0.182 1.00 24.23 C ATOM 1626 O VAL A 105 -8.376 5.449 0.763 1.00 53.14 O ATOM 1627 CB VAL A 105 -6.840 2.303 0.523 1.00 63.54 C ATOM 1628 CG1 VAL A 105 -5.569 3.097 0.830 1.00 14.03 C ATOM 1629 CG2 VAL A 105 -6.694 0.919 1.181 1.00 53.51 C ATOM 0 H VAL A 105 -9.478 1.932 -0.097 1.00 71.13 H new ATOM 0 HA VAL A 105 -7.948 3.372 2.005 1.00 33.53 H new ATOM 0 HB VAL A 105 -6.965 2.167 -0.551 1.00 63.54 H new ATOM 0 HG11 VAL A 105 -4.698 2.529 0.504 1.00 14.03 H new ATOM 0 HG12 VAL A 105 -5.599 4.050 0.303 1.00 14.03 H new ATOM 0 HG13 VAL A 105 -5.503 3.278 1.903 1.00 14.03 H new ATOM 0 HG21 VAL A 105 -5.784 0.439 0.821 1.00 53.51 H new ATOM 0 HG22 VAL A 105 -6.639 1.035 2.263 1.00 53.51 H new ATOM 0 HG23 VAL A 105 -7.555 0.302 0.925 1.00 53.51 H new ATOM 1639 N THR A 106 -8.546 4.280 -1.136 1.00 63.23 N ATOM 1640 CA THR A 106 -8.622 5.438 -2.036 1.00 11.44 C ATOM 1641 C THR A 106 -9.984 6.163 -1.987 1.00 3.44 C ATOM 1642 O THR A 106 -10.344 6.883 -2.926 1.00 53.02 O ATOM 1643 CB THR A 106 -8.189 5.031 -3.462 1.00 20.40 C ATOM 1644 OG1 THR A 106 -8.885 3.885 -3.915 1.00 1.41 O ATOM 1645 CG2 THR A 106 -6.679 4.758 -3.542 1.00 24.32 C ATOM 0 H THR A 106 -8.660 3.389 -1.619 1.00 63.23 H new ATOM 0 HA THR A 106 -7.915 6.186 -1.678 1.00 11.44 H new ATOM 0 HB THR A 106 -8.435 5.876 -4.105 1.00 20.40 H new ATOM 0 HG1 THR A 106 -8.587 3.658 -4.820 1.00 1.41 H new ATOM 0 HG21 THR A 106 -6.414 4.475 -4.561 1.00 24.32 H new ATOM 0 HG22 THR A 106 -6.131 5.658 -3.261 1.00 24.32 H new ATOM 0 HG23 THR A 106 -6.419 3.948 -2.861 1.00 24.32 H new