USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 689 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 LYS NZ :NH3+ 152:sc= -0.183 (180deg=-0.712) USER MOD Set 1.2: A 74 CYS SG : rot -22:sc= -0.122 USER MOD Single : A 8 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00564) USER MOD Single : A 10 MET CE :methyl -131:sc= -4.76! (180deg=-9.24!) USER MOD Single : A 11 SER OG : rot -80:sc= 1.21 USER MOD Single : A 12 TYR OH : rot 180:sc=-0.00077 USER MOD Single : A 15 LYS NZ :NH3+ 142:sc= 1.27 (180deg=-0.331) USER MOD Single : A 17 GLN : amide:sc= 0.592 K(o=0.59,f=-0.67) USER MOD Single : A 19 SER OG : rot 68:sc= 0.377 USER MOD Single : A 23 ASN : amide:sc= -6.32! C(o=-6.3!,f=-8.8!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.0132 X(o=-0.013,f=0) USER MOD Single : A 38 GLN : amide:sc= -1.24 K(o=-1.2,f=-1.7!) USER MOD Single : A 39 SER OG : rot -80:sc= 1.09 USER MOD Single : A 43 SER OG : rot 180:sc= 0.00965 USER MOD Single : A 45 LYS NZ :NH3+ -133:sc= -0.145 (180deg=-0.694) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.248 K(o=-0.25,f=-3.8!) USER MOD Single : A 58 THR OG1 : rot -28:sc= -0.347 USER MOD Single : A 60 LYS NZ :NH3+ -177:sc= 0.801 (180deg=0.703) USER MOD Single : A 62 SER OG : rot 180:sc= -0.731 USER MOD Single : A 63 THR OG1 : rot 159:sc= 0.57 USER MOD Single : A 70 TYR OH : rot -21:sc= 0.719 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.264 USER MOD Single : A 73 SER OG : rot -52:sc= 1.25 USER MOD Single : B 203 THR OG1 : rot 180:sc= -0.0111 USER MOD Single : B 208 LYS NZ :NH3+ 174:sc= 1.34 (180deg=1.09) USER MOD Single : B 210 LYS NZ :NH3+ 146:sc= 0.801 (180deg=-0.295) USER MOD Single : B 211 TYR OH : rot 180:sc= -0.0506 USER MOD ----------------------------------------------------------------- ATOM 104 N LYS A 8 -15.008 5.502 -3.874 1.00 0.00 N ATOM 105 CA LYS A 8 -14.780 5.174 -5.276 1.00 0.00 C ATOM 106 C LYS A 8 -13.515 4.331 -5.442 1.00 0.00 C ATOM 107 O LYS A 8 -12.525 4.516 -4.727 1.00 0.00 O ATOM 108 CB LYS A 8 -14.696 6.442 -6.130 1.00 0.00 C ATOM 109 CG LYS A 8 -13.427 7.253 -5.950 1.00 0.00 C ATOM 110 CD LYS A 8 -13.237 8.189 -7.127 1.00 0.00 C ATOM 111 CE LYS A 8 -11.912 8.939 -7.058 1.00 0.00 C ATOM 112 NZ LYS A 8 -11.859 9.883 -5.911 1.00 0.00 N ATOM 0 HA LYS A 8 -15.630 4.586 -5.622 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.784 6.162 -7.180 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -15.551 7.077 -5.897 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.480 7.826 -5.024 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.569 6.586 -5.863 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.281 7.618 -8.054 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.057 8.906 -7.155 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.095 8.222 -6.974 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.759 9.489 -7.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -10.954 10.395 -5.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.642 10.563 -5.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.944 9.352 -5.021 1.00 0.00 H new ATOM 126 N PRO A 9 -13.538 3.395 -6.399 1.00 0.00 N ATOM 127 CA PRO A 9 -12.439 2.453 -6.617 1.00 0.00 C ATOM 128 C PRO A 9 -11.176 3.135 -7.111 1.00 0.00 C ATOM 129 O PRO A 9 -11.228 4.094 -7.885 1.00 0.00 O ATOM 130 CB PRO A 9 -12.987 1.493 -7.675 1.00 0.00 C ATOM 131 CG PRO A 9 -14.050 2.261 -8.379 1.00 0.00 C ATOM 132 CD PRO A 9 -14.641 3.191 -7.356 1.00 0.00 C ATOM 0 HA PRO A 9 -12.144 1.957 -5.692 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.204 1.178 -8.366 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.390 0.590 -7.217 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.636 2.819 -9.219 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -14.810 1.593 -8.783 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -14.961 4.131 -7.806 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.515 2.754 -6.874 1.00 0.00 H new ATOM 140 N MET A 10 -10.046 2.643 -6.633 1.00 0.00 N ATOM 141 CA MET A 10 -8.751 3.175 -7.003 1.00 0.00 C ATOM 142 C MET A 10 -8.393 2.730 -8.418 1.00 0.00 C ATOM 143 O MET A 10 -8.287 1.532 -8.688 1.00 0.00 O ATOM 144 CB MET A 10 -7.689 2.713 -6.004 1.00 0.00 C ATOM 145 CG MET A 10 -6.381 3.467 -6.142 1.00 0.00 C ATOM 146 SD MET A 10 -6.470 5.154 -5.519 1.00 0.00 S ATOM 147 CE MET A 10 -5.898 4.964 -3.838 1.00 0.00 C ATOM 0 H MET A 10 -10.003 1.863 -5.977 1.00 0.00 H new ATOM 0 HA MET A 10 -8.790 4.264 -6.982 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.071 2.840 -4.991 1.00 0.00 H new ATOM 0 HB3 MET A 10 -7.505 1.648 -6.144 1.00 0.00 H new ATOM 0 HG2 MET A 10 -5.600 2.929 -5.606 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.090 3.489 -7.192 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.591 5.462 -3.159 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.845 3.904 -3.589 1.00 0.00 H new ATOM 0 HE3 MET A 10 -4.908 5.410 -3.738 1.00 0.00 H new ATOM 157 N SER A 11 -8.227 3.690 -9.320 1.00 0.00 N ATOM 158 CA SER A 11 -7.976 3.385 -10.724 1.00 0.00 C ATOM 159 C SER A 11 -6.531 2.942 -10.937 1.00 0.00 C ATOM 160 O SER A 11 -5.728 2.992 -10.010 1.00 0.00 O ATOM 161 CB SER A 11 -8.292 4.605 -11.598 1.00 0.00 C ATOM 162 OG SER A 11 -7.461 5.706 -11.266 1.00 0.00 O ATOM 0 H SER A 11 -8.262 4.686 -9.105 1.00 0.00 H new ATOM 0 HA SER A 11 -8.630 2.563 -11.015 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.156 4.348 -12.648 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.338 4.885 -11.471 1.00 0.00 H new ATOM 0 HG SER A 11 -7.812 6.151 -10.467 1.00 0.00 H new ATOM 168 N TYR A 12 -6.204 2.521 -12.156 1.00 0.00 N ATOM 169 CA TYR A 12 -4.865 2.020 -12.470 1.00 0.00 C ATOM 170 C TYR A 12 -3.785 3.038 -12.125 1.00 0.00 C ATOM 171 O TYR A 12 -2.859 2.733 -11.371 1.00 0.00 O ATOM 172 CB TYR A 12 -4.774 1.627 -13.954 1.00 0.00 C ATOM 173 CG TYR A 12 -3.360 1.391 -14.455 1.00 0.00 C ATOM 174 CD1 TYR A 12 -2.408 0.766 -13.661 1.00 0.00 C ATOM 175 CD2 TYR A 12 -2.977 1.805 -15.723 1.00 0.00 C ATOM 176 CE1 TYR A 12 -1.119 0.562 -14.110 1.00 0.00 C ATOM 177 CE2 TYR A 12 -1.692 1.602 -16.183 1.00 0.00 C ATOM 178 CZ TYR A 12 -0.768 0.979 -15.373 1.00 0.00 C ATOM 179 OH TYR A 12 0.512 0.775 -15.829 1.00 0.00 O ATOM 0 H TYR A 12 -6.849 2.516 -12.946 1.00 0.00 H new ATOM 0 HA TYR A 12 -4.693 1.136 -11.856 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -5.359 0.721 -14.114 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.233 2.413 -14.554 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.682 0.432 -12.671 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.698 2.295 -16.361 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.392 0.079 -13.475 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.412 1.930 -17.173 1.00 0.00 H new ATOM 0 HH TYR A 12 0.595 1.127 -16.740 1.00 0.00 H new ATOM 189 N GLU A 13 -3.910 4.239 -12.662 1.00 0.00 N ATOM 190 CA GLU A 13 -2.906 5.275 -12.456 1.00 0.00 C ATOM 191 C GLU A 13 -2.779 5.624 -10.979 1.00 0.00 C ATOM 192 O GLU A 13 -1.731 6.078 -10.520 1.00 0.00 O ATOM 193 CB GLU A 13 -3.271 6.510 -13.266 1.00 0.00 C ATOM 194 CG GLU A 13 -3.317 6.245 -14.757 1.00 0.00 C ATOM 195 CD GLU A 13 -3.959 7.378 -15.520 1.00 0.00 C ATOM 196 OE1 GLU A 13 -5.195 7.354 -15.694 1.00 0.00 O ATOM 197 OE2 GLU A 13 -3.236 8.303 -15.936 1.00 0.00 O ATOM 0 H GLU A 13 -4.697 4.524 -13.245 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.941 4.898 -12.794 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.242 6.880 -12.938 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.545 7.298 -13.064 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.304 6.088 -15.127 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.870 5.325 -14.943 1.00 0.00 H new ATOM 204 N GLU A 14 -3.842 5.380 -10.232 1.00 0.00 N ATOM 205 CA GLU A 14 -3.840 5.643 -8.811 1.00 0.00 C ATOM 206 C GLU A 14 -3.206 4.480 -8.074 1.00 0.00 C ATOM 207 O GLU A 14 -2.360 4.678 -7.214 1.00 0.00 O ATOM 208 CB GLU A 14 -5.259 5.854 -8.308 1.00 0.00 C ATOM 209 CG GLU A 14 -5.923 7.126 -8.788 1.00 0.00 C ATOM 210 CD GLU A 14 -7.350 7.234 -8.293 1.00 0.00 C ATOM 211 OE1 GLU A 14 -7.617 8.060 -7.392 1.00 0.00 O ATOM 212 OE2 GLU A 14 -8.213 6.482 -8.798 1.00 0.00 O ATOM 0 H GLU A 14 -4.718 4.999 -10.591 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.263 6.549 -8.625 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.868 5.005 -8.617 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.246 5.857 -7.218 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.352 7.988 -8.442 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.913 7.153 -9.878 1.00 0.00 H new ATOM 219 N LYS A 15 -3.642 3.271 -8.413 1.00 0.00 N ATOM 220 CA LYS A 15 -3.065 2.058 -7.882 1.00 0.00 C ATOM 221 C LYS A 15 -1.556 2.025 -8.062 1.00 0.00 C ATOM 222 O LYS A 15 -0.819 1.763 -7.115 1.00 0.00 O ATOM 223 CB LYS A 15 -3.677 0.840 -8.562 1.00 0.00 C ATOM 224 CG LYS A 15 -5.076 0.505 -8.077 1.00 0.00 C ATOM 225 CD LYS A 15 -5.457 -0.906 -8.481 1.00 0.00 C ATOM 226 CE LYS A 15 -6.667 -1.415 -7.718 1.00 0.00 C ATOM 227 NZ LYS A 15 -7.273 -2.593 -8.392 1.00 0.00 N ATOM 0 H LYS A 15 -4.409 3.113 -9.067 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.284 2.037 -6.814 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.707 1.013 -9.638 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.029 -0.021 -8.396 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.124 0.604 -6.993 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.791 1.214 -8.494 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.667 -0.932 -9.550 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.613 -1.573 -8.306 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.373 -1.685 -6.704 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.408 -0.620 -7.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.596 -3.274 -7.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.083 -2.285 -8.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.565 -3.045 -9.005 1.00 0.00 H new ATOM 241 N ARG A 16 -1.104 2.292 -9.279 1.00 0.00 N ATOM 242 CA ARG A 16 0.319 2.288 -9.566 1.00 0.00 C ATOM 243 C ARG A 16 1.025 3.350 -8.760 1.00 0.00 C ATOM 244 O ARG A 16 2.088 3.092 -8.195 1.00 0.00 O ATOM 245 CB ARG A 16 0.583 2.491 -11.062 1.00 0.00 C ATOM 246 CG ARG A 16 2.009 2.892 -11.413 1.00 0.00 C ATOM 247 CD ARG A 16 2.337 2.466 -12.829 1.00 0.00 C ATOM 248 NE ARG A 16 2.347 1.014 -12.971 1.00 0.00 N ATOM 249 CZ ARG A 16 2.946 0.371 -13.970 1.00 0.00 C ATOM 250 NH1 ARG A 16 3.581 1.049 -14.919 1.00 0.00 N ATOM 251 NH2 ARG A 16 2.918 -0.953 -14.018 1.00 0.00 N ATOM 0 H ARG A 16 -1.699 2.513 -10.077 1.00 0.00 H new ATOM 0 HA ARG A 16 0.714 1.313 -9.282 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.341 1.567 -11.587 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.097 3.257 -11.435 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.126 3.971 -11.313 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.707 2.430 -10.715 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.606 2.893 -13.515 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.311 2.865 -13.112 1.00 0.00 H new ATOM 0 HE ARG A 16 1.866 0.459 -12.263 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.611 2.068 -14.884 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.038 0.551 -15.682 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.437 -1.480 -13.289 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.377 -1.445 -14.784 1.00 0.00 H new ATOM 265 N GLN A 17 0.438 4.537 -8.684 1.00 0.00 N ATOM 266 CA GLN A 17 1.048 5.582 -7.903 1.00 0.00 C ATOM 267 C GLN A 17 1.033 5.186 -6.432 1.00 0.00 C ATOM 268 O GLN A 17 1.998 5.414 -5.729 1.00 0.00 O ATOM 269 CB GLN A 17 0.381 6.947 -8.139 1.00 0.00 C ATOM 270 CG GLN A 17 1.106 8.078 -7.437 1.00 0.00 C ATOM 271 CD GLN A 17 2.528 8.243 -7.931 1.00 0.00 C ATOM 272 OE1 GLN A 17 2.819 8.029 -9.109 1.00 0.00 O ATOM 273 NE2 GLN A 17 3.433 8.582 -7.029 1.00 0.00 N ATOM 0 H GLN A 17 -0.437 4.788 -9.144 1.00 0.00 H new ATOM 0 HA GLN A 17 2.083 5.699 -8.225 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.347 7.151 -9.209 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.651 6.909 -7.789 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.560 9.008 -7.592 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.116 7.889 -6.364 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.152 8.751 -6.063 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.412 8.675 -7.299 1.00 0.00 H new ATOM 282 N LEU A 18 -0.037 4.520 -6.012 1.00 0.00 N ATOM 283 CA LEU A 18 -0.197 4.058 -4.642 1.00 0.00 C ATOM 284 C LEU A 18 0.901 3.099 -4.260 1.00 0.00 C ATOM 285 O LEU A 18 1.527 3.253 -3.217 1.00 0.00 O ATOM 286 CB LEU A 18 -1.551 3.378 -4.437 1.00 0.00 C ATOM 287 CG LEU A 18 -2.520 4.097 -3.491 1.00 0.00 C ATOM 288 CD1 LEU A 18 -2.937 3.211 -2.336 1.00 0.00 C ATOM 289 CD2 LEU A 18 -1.921 5.377 -2.950 1.00 0.00 C ATOM 0 H LEU A 18 -0.822 4.285 -6.619 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.143 4.939 -4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.034 3.270 -5.408 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.377 2.372 -4.054 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.403 4.341 -4.082 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.623 3.756 -1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.432 2.320 -2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.056 2.918 -1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.636 5.860 -2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.009 5.147 -2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.687 6.047 -3.777 1.00 0.00 H new ATOM 301 N SER A 19 1.137 2.112 -5.112 1.00 0.00 N ATOM 302 CA SER A 19 2.191 1.154 -4.865 1.00 0.00 C ATOM 303 C SER A 19 3.522 1.891 -4.736 1.00 0.00 C ATOM 304 O SER A 19 4.418 1.472 -4.002 1.00 0.00 O ATOM 305 CB SER A 19 2.257 0.131 -5.992 1.00 0.00 C ATOM 306 OG SER A 19 0.961 -0.337 -6.331 1.00 0.00 O ATOM 0 H SER A 19 0.613 1.959 -5.974 1.00 0.00 H new ATOM 0 HA SER A 19 1.982 0.622 -3.937 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.726 0.579 -6.868 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.883 -0.708 -5.690 1.00 0.00 H new ATOM 0 HG SER A 19 0.447 0.391 -6.739 1.00 0.00 H new ATOM 312 N LEU A 20 3.622 3.008 -5.452 1.00 0.00 N ATOM 313 CA LEU A 20 4.797 3.868 -5.392 1.00 0.00 C ATOM 314 C LEU A 20 4.825 4.717 -4.107 1.00 0.00 C ATOM 315 O LEU A 20 5.827 4.723 -3.401 1.00 0.00 O ATOM 316 CB LEU A 20 4.857 4.769 -6.628 1.00 0.00 C ATOM 317 CG LEU A 20 5.017 4.036 -7.960 1.00 0.00 C ATOM 318 CD1 LEU A 20 4.921 5.009 -9.127 1.00 0.00 C ATOM 319 CD2 LEU A 20 6.336 3.292 -7.994 1.00 0.00 C ATOM 0 H LEU A 20 2.895 3.340 -6.086 1.00 0.00 H new ATOM 0 HA LEU A 20 5.676 3.223 -5.375 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.946 5.366 -6.667 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.689 5.464 -6.512 1.00 0.00 H new ATOM 0 HG LEU A 20 4.207 3.313 -8.055 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.038 4.465 -10.065 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.948 5.501 -9.111 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.708 5.758 -9.042 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.437 2.774 -8.948 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.156 4.000 -7.876 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.365 2.565 -7.182 1.00 0.00 H new ATOM 331 N ASP A 21 3.740 5.442 -3.801 1.00 0.00 N ATOM 332 CA ASP A 21 3.660 6.225 -2.579 1.00 0.00 C ATOM 333 C ASP A 21 3.934 5.338 -1.367 1.00 0.00 C ATOM 334 O ASP A 21 4.610 5.739 -0.415 1.00 0.00 O ATOM 335 CB ASP A 21 2.306 6.899 -2.435 1.00 0.00 C ATOM 336 CG ASP A 21 1.676 7.369 -3.731 1.00 0.00 C ATOM 337 OD1 ASP A 21 0.532 6.977 -4.025 1.00 0.00 O ATOM 338 OD2 ASP A 21 2.309 8.191 -4.438 1.00 0.00 O ATOM 0 H ASP A 21 2.909 5.497 -4.390 1.00 0.00 H new ATOM 0 HA ASP A 21 4.418 7.006 -2.634 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.622 6.203 -1.949 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.414 7.756 -1.771 1.00 0.00 H new ATOM 343 N ILE A 22 3.435 4.115 -1.441 1.00 0.00 N ATOM 344 CA ILE A 22 3.641 3.119 -0.397 1.00 0.00 C ATOM 345 C ILE A 22 5.099 2.655 -0.353 1.00 0.00 C ATOM 346 O ILE A 22 5.664 2.466 0.720 1.00 0.00 O ATOM 347 CB ILE A 22 2.699 1.905 -0.590 1.00 0.00 C ATOM 348 CG1 ILE A 22 1.244 2.306 -0.333 1.00 0.00 C ATOM 349 CG2 ILE A 22 3.090 0.766 0.333 1.00 0.00 C ATOM 350 CD1 ILE A 22 0.239 1.294 -0.838 1.00 0.00 C ATOM 0 H ILE A 22 2.875 3.783 -2.226 1.00 0.00 H new ATOM 0 HA ILE A 22 3.403 3.592 0.556 1.00 0.00 H new ATOM 0 HB ILE A 22 2.796 1.567 -1.622 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.098 2.447 0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.051 3.267 -0.810 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.414 -0.075 0.179 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.112 0.455 0.115 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.025 1.099 1.369 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.770 1.644 -0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.357 1.170 -1.914 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.405 0.338 -0.342 1.00 0.00 H new ATOM 362 N ASN A 23 5.716 2.488 -1.514 1.00 0.00 N ATOM 363 CA ASN A 23 7.105 2.038 -1.563 1.00 0.00 C ATOM 364 C ASN A 23 8.067 3.165 -1.185 1.00 0.00 C ATOM 365 O ASN A 23 9.207 2.901 -0.805 1.00 0.00 O ATOM 366 CB ASN A 23 7.464 1.444 -2.940 1.00 0.00 C ATOM 367 CG ASN A 23 8.128 2.425 -3.904 1.00 0.00 C ATOM 368 OD1 ASN A 23 7.468 3.079 -4.698 1.00 0.00 O ATOM 369 ND2 ASN A 23 9.447 2.515 -3.856 1.00 0.00 N ATOM 0 H ASN A 23 5.287 2.654 -2.424 1.00 0.00 H new ATOM 0 HA ASN A 23 7.212 1.243 -0.825 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.130 0.594 -2.792 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.555 1.059 -3.403 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.939 3.142 -4.492 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.972 1.957 -3.183 1.00 0.00 H new ATOM 376 N LYS A 24 7.611 4.415 -1.282 1.00 0.00 N ATOM 377 CA LYS A 24 8.415 5.558 -0.851 1.00 0.00 C ATOM 378 C LYS A 24 8.640 5.512 0.650 1.00 0.00 C ATOM 379 O LYS A 24 9.647 6.007 1.158 1.00 0.00 O ATOM 380 CB LYS A 24 7.732 6.871 -1.210 1.00 0.00 C ATOM 381 CG LYS A 24 7.609 7.104 -2.700 1.00 0.00 C ATOM 382 CD LYS A 24 6.769 8.334 -2.992 1.00 0.00 C ATOM 383 CE LYS A 24 6.155 8.281 -4.377 1.00 0.00 C ATOM 384 NZ LYS A 24 7.179 8.331 -5.453 1.00 0.00 N ATOM 0 H LYS A 24 6.693 4.660 -1.654 1.00 0.00 H new ATOM 0 HA LYS A 24 9.373 5.501 -1.367 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.737 6.886 -0.765 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.292 7.695 -0.767 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.601 7.225 -3.136 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.158 6.231 -3.172 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.978 8.419 -2.247 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.388 9.227 -2.903 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.571 7.366 -4.478 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.464 9.116 -4.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.710 8.292 -6.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.721 9.215 -5.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.824 7.521 -5.357 1.00 0.00 H new ATOM 398 N LEU A 25 7.679 4.929 1.355 1.00 0.00 N ATOM 399 CA LEU A 25 7.770 4.774 2.791 1.00 0.00 C ATOM 400 C LEU A 25 8.998 3.961 3.169 1.00 0.00 C ATOM 401 O LEU A 25 9.408 3.052 2.442 1.00 0.00 O ATOM 402 CB LEU A 25 6.532 4.066 3.330 1.00 0.00 C ATOM 403 CG LEU A 25 5.189 4.600 2.851 1.00 0.00 C ATOM 404 CD1 LEU A 25 4.093 3.659 3.302 1.00 0.00 C ATOM 405 CD2 LEU A 25 4.933 5.995 3.399 1.00 0.00 C ATOM 0 H LEU A 25 6.823 4.555 0.946 1.00 0.00 H new ATOM 0 HA LEU A 25 7.845 5.770 3.227 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.597 3.012 3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.553 4.120 4.418 1.00 0.00 H new ATOM 0 HG LEU A 25 5.201 4.662 1.763 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.128 4.035 2.962 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.266 2.670 2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.094 3.594 4.390 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.968 6.354 3.043 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.928 5.963 4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.719 6.669 3.059 1.00 0.00 H new ATOM 417 N PRO A 26 9.622 4.311 4.294 1.00 0.00 N ATOM 418 CA PRO A 26 10.663 3.484 4.894 1.00 0.00 C ATOM 419 C PRO A 26 10.127 2.097 5.251 1.00 0.00 C ATOM 420 O PRO A 26 8.915 1.931 5.429 1.00 0.00 O ATOM 421 CB PRO A 26 11.076 4.235 6.162 1.00 0.00 C ATOM 422 CG PRO A 26 10.480 5.606 6.059 1.00 0.00 C ATOM 423 CD PRO A 26 9.383 5.563 5.027 1.00 0.00 C ATOM 0 HA PRO A 26 11.497 3.326 4.211 1.00 0.00 H new ATOM 0 HB2 PRO A 26 10.714 3.721 7.052 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.162 4.289 6.244 1.00 0.00 H new ATOM 0 HG2 PRO A 26 10.083 5.922 7.024 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.242 6.332 5.775 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.398 5.569 5.493 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.427 6.427 4.364 1.00 0.00 H new ATOM 431 N GLY A 27 11.024 1.118 5.358 1.00 0.00 N ATOM 432 CA GLY A 27 10.624 -0.272 5.563 1.00 0.00 C ATOM 433 C GLY A 27 9.572 -0.451 6.644 1.00 0.00 C ATOM 434 O GLY A 27 8.575 -1.149 6.437 1.00 0.00 O ATOM 0 H GLY A 27 12.032 1.262 5.306 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.240 -0.673 4.625 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.504 -0.860 5.824 1.00 0.00 H new ATOM 438 N GLU A 28 9.782 0.206 7.782 1.00 0.00 N ATOM 439 CA GLU A 28 8.856 0.133 8.911 1.00 0.00 C ATOM 440 C GLU A 28 7.442 0.531 8.497 1.00 0.00 C ATOM 441 O GLU A 28 6.459 -0.077 8.923 1.00 0.00 O ATOM 442 CB GLU A 28 9.326 1.059 10.037 1.00 0.00 C ATOM 443 CG GLU A 28 8.475 0.980 11.292 1.00 0.00 C ATOM 444 CD GLU A 28 8.603 -0.356 11.994 1.00 0.00 C ATOM 445 OE1 GLU A 28 7.711 -1.214 11.822 1.00 0.00 O ATOM 446 OE2 GLU A 28 9.598 -0.559 12.718 1.00 0.00 O ATOM 0 H GLU A 28 10.594 0.801 7.948 1.00 0.00 H new ATOM 0 HA GLU A 28 8.841 -0.900 9.259 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.356 0.811 10.292 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.326 2.087 9.673 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.767 1.776 11.976 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.431 1.151 11.031 1.00 0.00 H new ATOM 453 N LYS A 29 7.345 1.536 7.642 1.00 0.00 N ATOM 454 CA LYS A 29 6.062 2.115 7.297 1.00 0.00 C ATOM 455 C LYS A 29 5.277 1.237 6.329 1.00 0.00 C ATOM 456 O LYS A 29 4.049 1.262 6.325 1.00 0.00 O ATOM 457 CB LYS A 29 6.240 3.522 6.731 1.00 0.00 C ATOM 458 CG LYS A 29 6.465 4.620 7.784 1.00 0.00 C ATOM 459 CD LYS A 29 5.837 4.335 9.144 1.00 0.00 C ATOM 460 CE LYS A 29 6.187 5.447 10.117 1.00 0.00 C ATOM 461 NZ LYS A 29 6.067 6.790 9.491 1.00 0.00 N ATOM 0 H LYS A 29 8.143 1.967 7.175 1.00 0.00 H new ATOM 0 HA LYS A 29 5.479 2.180 8.216 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.087 3.517 6.045 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.357 3.776 6.145 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.537 4.763 7.917 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.063 5.559 7.403 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.755 4.254 9.045 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.195 3.379 9.527 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.529 5.391 10.984 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.205 5.305 10.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.842 7.495 10.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.966 7.041 9.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.309 6.775 8.780 1.00 0.00 H new ATOM 475 N LEU A 30 5.953 0.427 5.528 1.00 0.00 N ATOM 476 CA LEU A 30 5.223 -0.531 4.708 1.00 0.00 C ATOM 477 C LEU A 30 4.651 -1.633 5.599 1.00 0.00 C ATOM 478 O LEU A 30 3.794 -2.407 5.182 1.00 0.00 O ATOM 479 CB LEU A 30 6.073 -1.139 3.590 1.00 0.00 C ATOM 480 CG LEU A 30 6.500 -0.195 2.472 1.00 0.00 C ATOM 481 CD1 LEU A 30 7.871 0.368 2.748 1.00 0.00 C ATOM 482 CD2 LEU A 30 6.490 -0.908 1.125 1.00 0.00 C ATOM 0 H LEU A 30 6.968 0.410 5.428 1.00 0.00 H new ATOM 0 HA LEU A 30 4.417 0.014 4.217 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.970 -1.566 4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.515 -1.963 3.146 1.00 0.00 H new ATOM 0 HG LEU A 30 5.784 0.626 2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.158 1.039 1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.856 0.919 3.688 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.592 -0.447 2.817 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.798 -0.214 0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.180 -1.751 1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.484 -1.270 0.912 1.00 0.00 H new ATOM 494 N GLY A 31 5.115 -1.679 6.846 1.00 0.00 N ATOM 495 CA GLY A 31 4.554 -2.599 7.819 1.00 0.00 C ATOM 496 C GLY A 31 3.133 -2.224 8.191 1.00 0.00 C ATOM 497 O GLY A 31 2.379 -3.033 8.730 1.00 0.00 O ATOM 0 H GLY A 31 5.872 -1.093 7.200 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.569 -3.611 7.414 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.175 -2.605 8.715 1.00 0.00 H new ATOM 501 N ARG A 32 2.775 -0.988 7.899 1.00 0.00 N ATOM 502 CA ARG A 32 1.420 -0.502 8.116 1.00 0.00 C ATOM 503 C ARG A 32 0.487 -0.956 6.999 1.00 0.00 C ATOM 504 O ARG A 32 -0.580 -1.501 7.266 1.00 0.00 O ATOM 505 CB ARG A 32 1.419 1.019 8.208 1.00 0.00 C ATOM 506 CG ARG A 32 0.047 1.648 7.996 1.00 0.00 C ATOM 507 CD ARG A 32 -0.560 2.141 9.294 1.00 0.00 C ATOM 508 NE ARG A 32 0.320 3.075 10.000 1.00 0.00 N ATOM 509 CZ ARG A 32 -0.115 4.063 10.783 1.00 0.00 C ATOM 510 NH1 ARG A 32 -1.420 4.268 10.939 1.00 0.00 N ATOM 511 NH2 ARG A 32 0.757 4.846 11.405 1.00 0.00 N ATOM 0 H ARG A 32 3.410 -0.293 7.506 1.00 0.00 H new ATOM 0 HA ARG A 32 1.057 -0.921 9.054 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.796 1.315 9.187 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.110 1.419 7.466 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.134 2.480 7.298 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.620 0.917 7.539 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.512 2.630 9.085 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.774 1.289 9.939 1.00 0.00 H new ATOM 0 HE ARG A 32 1.327 2.963 9.886 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.091 3.669 10.459 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.749 5.025 11.539 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.758 4.692 11.284 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.426 5.602 12.004 1.00 0.00 H new ATOM 525 N VAL A 33 0.883 -0.723 5.748 1.00 0.00 N ATOM 526 CA VAL A 33 0.065 -1.122 4.604 1.00 0.00 C ATOM 527 C VAL A 33 -0.157 -2.621 4.583 1.00 0.00 C ATOM 528 O VAL A 33 -1.260 -3.068 4.287 1.00 0.00 O ATOM 529 CB VAL A 33 0.661 -0.668 3.258 1.00 0.00 C ATOM 530 CG1 VAL A 33 0.326 0.788 2.999 1.00 0.00 C ATOM 531 CG2 VAL A 33 2.159 -0.869 3.230 1.00 0.00 C ATOM 0 H VAL A 33 1.760 -0.263 5.502 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.893 -0.617 4.730 1.00 0.00 H new ATOM 0 HB VAL A 33 0.221 -1.280 2.471 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.753 1.095 2.045 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.756 0.912 2.969 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.740 1.404 3.797 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.552 -0.540 2.268 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.619 -0.287 4.029 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.387 -1.925 3.373 1.00 0.00 H new ATOM 541 N VAL A 34 0.869 -3.401 4.914 1.00 0.00 N ATOM 542 CA VAL A 34 0.691 -4.838 5.004 1.00 0.00 C ATOM 543 C VAL A 34 -0.327 -5.160 6.092 1.00 0.00 C ATOM 544 O VAL A 34 -1.201 -5.990 5.897 1.00 0.00 O ATOM 545 CB VAL A 34 2.016 -5.598 5.259 1.00 0.00 C ATOM 546 CG1 VAL A 34 3.071 -5.191 4.251 1.00 0.00 C ATOM 547 CG2 VAL A 34 2.529 -5.390 6.671 1.00 0.00 C ATOM 0 H VAL A 34 1.811 -3.067 5.119 1.00 0.00 H new ATOM 0 HA VAL A 34 0.323 -5.180 4.037 1.00 0.00 H new ATOM 0 HB VAL A 34 1.804 -6.660 5.139 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.993 -5.737 4.449 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.721 -5.422 3.245 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.259 -4.120 4.333 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.460 -5.941 6.805 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.708 -4.328 6.840 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.788 -5.751 7.384 1.00 0.00 H new ATOM 557 N HIS A 35 -0.243 -4.449 7.213 1.00 0.00 N ATOM 558 CA HIS A 35 -1.190 -4.629 8.303 1.00 0.00 C ATOM 559 C HIS A 35 -2.598 -4.249 7.851 1.00 0.00 C ATOM 560 O HIS A 35 -3.559 -4.955 8.146 1.00 0.00 O ATOM 561 CB HIS A 35 -0.767 -3.807 9.527 1.00 0.00 C ATOM 562 CG HIS A 35 -1.778 -3.800 10.638 1.00 0.00 C ATOM 563 ND1 HIS A 35 -1.837 -4.768 11.616 1.00 0.00 N ATOM 564 CD2 HIS A 35 -2.777 -2.927 10.917 1.00 0.00 C ATOM 565 CE1 HIS A 35 -2.827 -4.494 12.445 1.00 0.00 C ATOM 566 NE2 HIS A 35 -3.413 -3.382 12.044 1.00 0.00 N ATOM 0 H HIS A 35 0.472 -3.743 7.388 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.195 -5.681 8.589 1.00 0.00 H new ATOM 0 HB2 HIS A 35 0.175 -4.202 9.909 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -0.579 -2.780 9.215 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.026 -2.038 10.356 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -3.110 -5.081 13.306 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.209 -2.934 12.498 1.00 0.00 H new ATOM 575 N ILE A 36 -2.717 -3.136 7.133 1.00 0.00 N ATOM 576 CA ILE A 36 -4.002 -2.728 6.588 1.00 0.00 C ATOM 577 C ILE A 36 -4.512 -3.776 5.608 1.00 0.00 C ATOM 578 O ILE A 36 -5.548 -4.386 5.836 1.00 0.00 O ATOM 579 CB ILE A 36 -3.950 -1.359 5.873 1.00 0.00 C ATOM 580 CG1 ILE A 36 -3.600 -0.242 6.849 1.00 0.00 C ATOM 581 CG2 ILE A 36 -5.300 -1.081 5.233 1.00 0.00 C ATOM 582 CD1 ILE A 36 -3.316 1.077 6.171 1.00 0.00 C ATOM 0 H ILE A 36 -1.944 -2.507 6.918 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.678 -2.632 7.437 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.174 -1.393 5.108 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.423 -0.112 7.551 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.728 -0.538 7.432 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.271 -0.116 4.726 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.528 -1.864 4.510 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.071 -1.063 6.003 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.074 1.828 6.923 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.474 0.962 5.489 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.195 1.395 5.611 1.00 0.00 H new ATOM 594 N ILE A 37 -3.769 -3.993 4.533 1.00 0.00 N ATOM 595 CA ILE A 37 -4.149 -4.965 3.519 1.00 0.00 C ATOM 596 C ILE A 37 -4.474 -6.337 4.124 1.00 0.00 C ATOM 597 O ILE A 37 -5.550 -6.858 3.904 1.00 0.00 O ATOM 598 CB ILE A 37 -3.061 -5.121 2.455 1.00 0.00 C ATOM 599 CG1 ILE A 37 -3.087 -3.937 1.505 1.00 0.00 C ATOM 600 CG2 ILE A 37 -3.270 -6.404 1.689 1.00 0.00 C ATOM 601 CD1 ILE A 37 -1.735 -3.334 1.261 1.00 0.00 C ATOM 0 H ILE A 37 -2.894 -3.506 4.340 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.052 -4.575 3.049 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.089 -5.156 2.946 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.511 -4.255 0.553 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.750 -3.172 1.909 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.491 -6.508 0.933 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.224 -7.249 2.376 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.246 -6.383 1.204 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.830 -2.494 0.573 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.317 -2.985 2.205 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.075 -4.085 0.827 1.00 0.00 H new ATOM 613 N GLN A 38 -3.553 -6.908 4.897 1.00 0.00 N ATOM 614 CA GLN A 38 -3.734 -8.255 5.454 1.00 0.00 C ATOM 615 C GLN A 38 -4.995 -8.349 6.319 1.00 0.00 C ATOM 616 O GLN A 38 -5.667 -9.379 6.342 1.00 0.00 O ATOM 617 CB GLN A 38 -2.520 -8.653 6.298 1.00 0.00 C ATOM 618 CG GLN A 38 -1.287 -9.016 5.486 1.00 0.00 C ATOM 619 CD GLN A 38 -0.012 -8.999 6.309 1.00 0.00 C ATOM 620 OE1 GLN A 38 0.109 -8.258 7.282 1.00 0.00 O ATOM 621 NE2 GLN A 38 0.955 -9.810 5.917 1.00 0.00 N ATOM 0 H GLN A 38 -2.672 -6.462 5.154 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.840 -8.937 4.611 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.271 -7.829 6.967 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.791 -9.502 6.925 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.422 -10.008 5.054 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.187 -8.318 4.655 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.818 -10.411 5.104 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.838 -9.835 6.427 1.00 0.00 H new ATOM 630 N SER A 39 -5.295 -7.285 7.056 1.00 0.00 N ATOM 631 CA SER A 39 -6.467 -7.260 7.912 1.00 0.00 C ATOM 632 C SER A 39 -7.744 -7.061 7.095 1.00 0.00 C ATOM 633 O SER A 39 -8.780 -7.673 7.368 1.00 0.00 O ATOM 634 CB SER A 39 -6.325 -6.149 8.955 1.00 0.00 C ATOM 635 OG SER A 39 -6.255 -4.869 8.354 1.00 0.00 O ATOM 0 H SER A 39 -4.740 -6.430 7.075 1.00 0.00 H new ATOM 0 HA SER A 39 -6.542 -8.222 8.419 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.172 -6.183 9.640 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.428 -6.321 9.549 1.00 0.00 H new ATOM 0 HG SER A 39 -5.346 -4.713 8.022 1.00 0.00 H new ATOM 641 N ARG A 40 -7.661 -6.196 6.096 1.00 0.00 N ATOM 642 CA ARG A 40 -8.796 -5.899 5.236 1.00 0.00 C ATOM 643 C ARG A 40 -9.020 -7.029 4.235 1.00 0.00 C ATOM 644 O ARG A 40 -10.139 -7.252 3.772 1.00 0.00 O ATOM 645 CB ARG A 40 -8.569 -4.569 4.506 1.00 0.00 C ATOM 646 CG ARG A 40 -8.314 -3.398 5.445 1.00 0.00 C ATOM 647 CD ARG A 40 -9.035 -2.137 5.003 1.00 0.00 C ATOM 648 NE ARG A 40 -10.479 -2.331 4.895 1.00 0.00 N ATOM 649 CZ ARG A 40 -11.386 -1.409 5.213 1.00 0.00 C ATOM 650 NH1 ARG A 40 -11.006 -0.239 5.718 1.00 0.00 N ATOM 651 NH2 ARG A 40 -12.673 -1.669 5.044 1.00 0.00 N ATOM 0 H ARG A 40 -6.811 -5.683 5.860 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.689 -5.810 5.854 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.720 -4.674 3.830 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.441 -4.348 3.890 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.637 -3.665 6.451 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.243 -3.203 5.496 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.831 -1.337 5.714 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.641 -1.815 4.039 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.815 -3.232 4.554 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.015 -0.044 5.864 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.705 0.463 5.960 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.966 -2.572 4.672 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.371 -0.966 5.286 1.00 0.00 H new ATOM 665 N GLU A 41 -7.947 -7.729 3.899 1.00 0.00 N ATOM 666 CA GLU A 41 -8.002 -8.840 2.957 1.00 0.00 C ATOM 667 C GLU A 41 -7.590 -10.150 3.638 1.00 0.00 C ATOM 668 O GLU A 41 -6.397 -10.464 3.684 1.00 0.00 O ATOM 669 CB GLU A 41 -7.048 -8.565 1.794 1.00 0.00 C ATOM 670 CG GLU A 41 -7.198 -7.175 1.198 1.00 0.00 C ATOM 671 CD GLU A 41 -8.515 -6.992 0.476 1.00 0.00 C ATOM 672 OE1 GLU A 41 -9.029 -5.854 0.443 1.00 0.00 O ATOM 673 OE2 GLU A 41 -9.063 -7.988 -0.040 1.00 0.00 O ATOM 0 H GLU A 41 -7.015 -7.545 4.270 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.025 -8.936 2.594 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.022 -8.694 2.139 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.218 -9.306 1.013 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.116 -6.432 1.992 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.378 -6.991 0.504 1.00 0.00 H new ATOM 680 N PRO A 42 -8.541 -10.960 4.164 1.00 0.00 N ATOM 681 CA PRO A 42 -8.190 -12.188 4.915 1.00 0.00 C ATOM 682 C PRO A 42 -7.560 -13.297 4.056 1.00 0.00 C ATOM 683 O PRO A 42 -7.305 -14.396 4.550 1.00 0.00 O ATOM 684 CB PRO A 42 -9.534 -12.656 5.492 1.00 0.00 C ATOM 685 CG PRO A 42 -10.559 -12.100 4.566 1.00 0.00 C ATOM 686 CD PRO A 42 -10.026 -10.769 4.103 1.00 0.00 C ATOM 0 HA PRO A 42 -7.427 -11.974 5.664 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.589 -13.744 5.536 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.678 -12.289 6.508 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.725 -12.769 3.721 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.517 -11.982 5.071 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.361 -10.529 3.094 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.355 -9.956 4.750 1.00 0.00 H new ATOM 694 N SER A 43 -7.297 -13.017 2.788 1.00 0.00 N ATOM 695 CA SER A 43 -6.897 -14.045 1.846 1.00 0.00 C ATOM 696 C SER A 43 -5.382 -14.070 1.656 1.00 0.00 C ATOM 697 O SER A 43 -4.823 -15.068 1.205 1.00 0.00 O ATOM 698 CB SER A 43 -7.595 -13.782 0.505 1.00 0.00 C ATOM 699 OG SER A 43 -7.428 -12.427 0.115 1.00 0.00 O ATOM 0 H SER A 43 -7.355 -12.080 2.389 1.00 0.00 H new ATOM 0 HA SER A 43 -7.192 -15.018 2.239 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.184 -14.440 -0.261 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.657 -14.014 0.589 1.00 0.00 H new ATOM 0 HG SER A 43 -7.877 -12.276 -0.743 1.00 0.00 H new ATOM 705 N LEU A 44 -4.718 -12.980 2.014 1.00 0.00 N ATOM 706 CA LEU A 44 -3.285 -12.860 1.776 1.00 0.00 C ATOM 707 C LEU A 44 -2.492 -12.880 3.073 1.00 0.00 C ATOM 708 O LEU A 44 -1.335 -12.460 3.116 1.00 0.00 O ATOM 709 CB LEU A 44 -2.986 -11.593 0.975 1.00 0.00 C ATOM 710 CG LEU A 44 -3.555 -10.300 1.532 1.00 0.00 C ATOM 711 CD1 LEU A 44 -2.563 -9.655 2.476 1.00 0.00 C ATOM 712 CD2 LEU A 44 -3.918 -9.366 0.390 1.00 0.00 C ATOM 0 H LEU A 44 -5.144 -12.171 2.467 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.971 -13.727 1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.904 -11.485 0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.369 -11.728 -0.037 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.461 -10.517 2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.983 -8.729 2.868 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.351 -10.335 3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.640 -9.436 1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.326 -8.439 0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.026 -9.145 -0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.663 -9.843 -0.247 1.00 0.00 H new ATOM 724 N LYS A 45 -3.100 -13.406 4.126 1.00 0.00 N ATOM 725 CA LYS A 45 -2.430 -13.489 5.417 1.00 0.00 C ATOM 726 C LYS A 45 -1.422 -14.641 5.433 1.00 0.00 C ATOM 727 O LYS A 45 -0.851 -14.965 6.473 1.00 0.00 O ATOM 728 CB LYS A 45 -3.444 -13.626 6.561 1.00 0.00 C ATOM 729 CG LYS A 45 -4.330 -14.856 6.466 1.00 0.00 C ATOM 730 CD LYS A 45 -5.435 -14.854 7.513 1.00 0.00 C ATOM 731 CE LYS A 45 -4.952 -15.400 8.854 1.00 0.00 C ATOM 732 NZ LYS A 45 -4.457 -16.801 8.745 1.00 0.00 N ATOM 0 H LYS A 45 -4.049 -13.779 4.114 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.883 -12.559 5.571 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.905 -13.653 7.508 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.076 -12.738 6.579 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.774 -14.905 5.472 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.720 -15.751 6.587 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.805 -13.838 7.647 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.273 -15.454 7.157 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.155 -14.763 9.238 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.768 -15.360 9.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.864 -17.374 9.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.742 -17.199 7.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.420 -16.809 8.819 1.00 0.00 H new ATOM 746 N ASN A 46 -1.223 -15.267 4.275 1.00 0.00 N ATOM 747 CA ASN A 46 -0.200 -16.297 4.127 1.00 0.00 C ATOM 748 C ASN A 46 1.157 -15.631 3.915 1.00 0.00 C ATOM 749 O ASN A 46 2.204 -16.209 4.207 1.00 0.00 O ATOM 750 CB ASN A 46 -0.515 -17.235 2.949 1.00 0.00 C ATOM 751 CG ASN A 46 -1.968 -17.660 2.897 1.00 0.00 C ATOM 752 OD1 ASN A 46 -2.393 -18.581 3.596 1.00 0.00 O ATOM 753 ND2 ASN A 46 -2.736 -17.010 2.036 1.00 0.00 N ATOM 0 H ASN A 46 -1.757 -15.078 3.427 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.181 -16.899 5.035 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.256 -16.735 2.016 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.114 -18.122 3.021 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.718 -17.267 1.934 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.346 -16.253 1.475 1.00 0.00 H new ATOM 760 N SER A 47 1.122 -14.401 3.411 1.00 0.00 N ATOM 761 CA SER A 47 2.324 -13.604 3.227 1.00 0.00 C ATOM 762 C SER A 47 2.755 -12.987 4.551 1.00 0.00 C ATOM 763 O SER A 47 1.976 -12.300 5.213 1.00 0.00 O ATOM 764 CB SER A 47 2.073 -12.519 2.178 1.00 0.00 C ATOM 765 OG SER A 47 1.710 -13.096 0.936 1.00 0.00 O ATOM 0 H SER A 47 0.263 -13.933 3.121 1.00 0.00 H new ATOM 0 HA SER A 47 3.129 -14.248 2.874 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.281 -11.852 2.520 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.970 -11.912 2.054 1.00 0.00 H new ATOM 0 HG SER A 47 1.552 -12.386 0.279 1.00 0.00 H new ATOM 771 N ASN A 48 3.993 -13.250 4.932 1.00 0.00 N ATOM 772 CA ASN A 48 4.539 -12.739 6.184 1.00 0.00 C ATOM 773 C ASN A 48 5.078 -11.334 5.966 1.00 0.00 C ATOM 774 O ASN A 48 5.721 -11.100 4.958 1.00 0.00 O ATOM 775 CB ASN A 48 5.657 -13.660 6.690 1.00 0.00 C ATOM 776 CG ASN A 48 5.336 -14.264 8.043 1.00 0.00 C ATOM 777 OD1 ASN A 48 4.613 -13.675 8.843 1.00 0.00 O ATOM 778 ND2 ASN A 48 5.876 -15.440 8.311 1.00 0.00 N ATOM 0 H ASN A 48 4.645 -13.818 4.391 1.00 0.00 H new ATOM 0 HA ASN A 48 3.748 -12.709 6.934 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.821 -14.459 5.967 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.587 -13.096 6.758 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.698 -15.890 9.209 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.471 -15.897 7.620 1.00 0.00 H new ATOM 785 N PRO A 49 4.823 -10.374 6.877 1.00 0.00 N ATOM 786 CA PRO A 49 5.138 -8.949 6.630 1.00 0.00 C ATOM 787 C PRO A 49 6.571 -8.701 6.152 1.00 0.00 C ATOM 788 O PRO A 49 6.787 -7.904 5.242 1.00 0.00 O ATOM 789 CB PRO A 49 4.891 -8.293 7.991 1.00 0.00 C ATOM 790 CG PRO A 49 3.896 -9.182 8.663 1.00 0.00 C ATOM 791 CD PRO A 49 4.230 -10.579 8.220 1.00 0.00 C ATOM 0 HA PRO A 49 4.528 -8.545 5.822 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.812 -8.221 8.569 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.505 -7.280 7.879 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.959 -9.090 9.747 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.878 -8.915 8.379 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.932 -11.061 8.901 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.343 -11.211 8.177 1.00 0.00 H new ATOM 799 N ASP A 50 7.529 -9.430 6.715 1.00 0.00 N ATOM 800 CA ASP A 50 8.948 -9.219 6.402 1.00 0.00 C ATOM 801 C ASP A 50 9.275 -9.767 5.018 1.00 0.00 C ATOM 802 O ASP A 50 10.345 -9.514 4.465 1.00 0.00 O ATOM 803 CB ASP A 50 9.845 -9.900 7.445 1.00 0.00 C ATOM 804 CG ASP A 50 9.681 -9.328 8.839 1.00 0.00 C ATOM 805 OD1 ASP A 50 8.703 -9.695 9.525 1.00 0.00 O ATOM 806 OD2 ASP A 50 10.540 -8.528 9.268 1.00 0.00 O ATOM 0 H ASP A 50 7.354 -10.173 7.391 1.00 0.00 H new ATOM 0 HA ASP A 50 9.138 -8.146 6.420 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.619 -10.966 7.468 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.886 -9.801 7.139 1.00 0.00 H new ATOM 811 N GLU A 51 8.334 -10.520 4.478 1.00 0.00 N ATOM 812 CA GLU A 51 8.465 -11.144 3.169 1.00 0.00 C ATOM 813 C GLU A 51 7.181 -10.948 2.374 1.00 0.00 C ATOM 814 O GLU A 51 6.808 -11.780 1.545 1.00 0.00 O ATOM 815 CB GLU A 51 8.774 -12.632 3.322 1.00 0.00 C ATOM 816 CG GLU A 51 10.240 -12.920 3.578 1.00 0.00 C ATOM 817 CD GLU A 51 11.092 -12.682 2.350 1.00 0.00 C ATOM 818 OE1 GLU A 51 11.883 -11.718 2.338 1.00 0.00 O ATOM 819 OE2 GLU A 51 10.967 -13.462 1.382 1.00 0.00 O ATOM 0 H GLU A 51 7.446 -10.719 4.939 1.00 0.00 H new ATOM 0 HA GLU A 51 9.289 -10.674 2.631 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.183 -13.035 4.144 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.461 -13.155 2.418 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.596 -12.289 4.393 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.354 -13.954 3.902 1.00 0.00 H new ATOM 826 N ILE A 52 6.502 -9.843 2.665 1.00 0.00 N ATOM 827 CA ILE A 52 5.162 -9.589 2.156 1.00 0.00 C ATOM 828 C ILE A 52 5.125 -9.509 0.630 1.00 0.00 C ATOM 829 O ILE A 52 6.085 -9.085 -0.018 1.00 0.00 O ATOM 830 CB ILE A 52 4.595 -8.271 2.732 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.108 -8.125 2.419 1.00 0.00 C ATOM 832 CG2 ILE A 52 5.332 -7.101 2.132 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.235 -9.232 2.958 1.00 0.00 C ATOM 0 H ILE A 52 6.867 -9.099 3.260 1.00 0.00 H new ATOM 0 HA ILE A 52 4.550 -10.433 2.475 1.00 0.00 H new ATOM 0 HB ILE A 52 4.726 -8.292 3.814 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.758 -7.176 2.824 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.982 -8.076 1.337 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.932 -6.172 2.538 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.392 -7.176 2.374 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.205 -7.108 1.049 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.197 -9.042 2.686 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.552 -10.185 2.534 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.324 -9.270 4.044 1.00 0.00 H new ATOM 845 N GLU A 53 4.012 -9.949 0.075 1.00 0.00 N ATOM 846 CA GLU A 53 3.735 -9.795 -1.325 1.00 0.00 C ATOM 847 C GLU A 53 2.259 -9.411 -1.492 1.00 0.00 C ATOM 848 O GLU A 53 1.371 -10.248 -1.328 1.00 0.00 O ATOM 849 CB GLU A 53 4.058 -11.110 -2.012 1.00 0.00 C ATOM 850 CG GLU A 53 4.642 -10.956 -3.388 1.00 0.00 C ATOM 851 CD GLU A 53 3.583 -10.648 -4.413 1.00 0.00 C ATOM 852 OE1 GLU A 53 2.896 -11.592 -4.857 1.00 0.00 O ATOM 853 OE2 GLU A 53 3.420 -9.472 -4.765 1.00 0.00 O ATOM 0 H GLU A 53 3.274 -10.426 0.594 1.00 0.00 H new ATOM 0 HA GLU A 53 4.340 -9.008 -1.775 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.759 -11.669 -1.392 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.148 -11.705 -2.080 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.384 -10.158 -3.381 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.162 -11.872 -3.667 1.00 0.00 H new ATOM 860 N ILE A 54 2.006 -8.134 -1.772 1.00 0.00 N ATOM 861 CA ILE A 54 0.643 -7.603 -1.833 1.00 0.00 C ATOM 862 C ILE A 54 0.173 -7.485 -3.277 1.00 0.00 C ATOM 863 O ILE A 54 0.915 -7.032 -4.148 1.00 0.00 O ATOM 864 CB ILE A 54 0.538 -6.208 -1.165 1.00 0.00 C ATOM 865 CG1 ILE A 54 0.981 -6.281 0.298 1.00 0.00 C ATOM 866 CG2 ILE A 54 -0.895 -5.677 -1.260 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.203 -4.925 0.936 1.00 0.00 C ATOM 0 H ILE A 54 2.732 -7.443 -1.962 1.00 0.00 H new ATOM 0 HA ILE A 54 0.010 -8.305 -1.290 1.00 0.00 H new ATOM 0 HB ILE A 54 1.199 -5.522 -1.694 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.228 -6.823 0.870 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.904 -6.857 0.360 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.952 -4.697 -0.786 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.182 -5.591 -2.308 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.572 -6.365 -0.753 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.515 -5.057 1.972 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.978 -4.388 0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.276 -4.353 0.906 1.00 0.00 H new ATOM 879 N ASP A 55 -1.062 -7.887 -3.521 1.00 0.00 N ATOM 880 CA ASP A 55 -1.648 -7.779 -4.847 1.00 0.00 C ATOM 881 C ASP A 55 -2.668 -6.649 -4.870 1.00 0.00 C ATOM 882 O ASP A 55 -3.776 -6.782 -4.332 1.00 0.00 O ATOM 883 CB ASP A 55 -2.318 -9.093 -5.251 1.00 0.00 C ATOM 884 CG ASP A 55 -2.672 -9.136 -6.723 1.00 0.00 C ATOM 885 OD1 ASP A 55 -1.979 -9.839 -7.489 1.00 0.00 O ATOM 886 OD2 ASP A 55 -3.645 -8.474 -7.118 1.00 0.00 O ATOM 0 H ASP A 55 -1.680 -8.292 -2.818 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.853 -7.563 -5.561 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.652 -9.924 -5.017 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.223 -9.233 -4.659 1.00 0.00 H new ATOM 891 N PHE A 56 -2.301 -5.547 -5.507 1.00 0.00 N ATOM 892 CA PHE A 56 -3.140 -4.355 -5.531 1.00 0.00 C ATOM 893 C PHE A 56 -4.432 -4.610 -6.296 1.00 0.00 C ATOM 894 O PHE A 56 -5.393 -3.849 -6.194 1.00 0.00 O ATOM 895 CB PHE A 56 -2.385 -3.180 -6.153 1.00 0.00 C ATOM 896 CG PHE A 56 -2.545 -1.925 -5.355 1.00 0.00 C ATOM 897 CD1 PHE A 56 -1.993 -1.835 -4.104 1.00 0.00 C ATOM 898 CD2 PHE A 56 -3.266 -0.852 -5.833 1.00 0.00 C ATOM 899 CE1 PHE A 56 -2.150 -0.710 -3.346 1.00 0.00 C ATOM 900 CE2 PHE A 56 -3.424 0.287 -5.065 1.00 0.00 C ATOM 901 CZ PHE A 56 -2.861 0.339 -3.821 1.00 0.00 C ATOM 0 H PHE A 56 -1.423 -5.452 -6.017 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.395 -4.105 -4.501 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.326 -3.429 -6.229 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.747 -3.013 -7.168 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.425 -2.666 -3.712 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.711 -0.901 -6.816 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.705 -0.657 -2.363 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.987 1.127 -5.445 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.984 1.223 -3.213 1.00 0.00 H new ATOM 911 N GLU A 57 -4.457 -5.700 -7.043 1.00 0.00 N ATOM 912 CA GLU A 57 -5.597 -6.037 -7.870 1.00 0.00 C ATOM 913 C GLU A 57 -6.608 -6.877 -7.105 1.00 0.00 C ATOM 914 O GLU A 57 -7.743 -7.060 -7.549 1.00 0.00 O ATOM 915 CB GLU A 57 -5.119 -6.774 -9.119 1.00 0.00 C ATOM 916 CG GLU A 57 -4.201 -5.940 -9.989 1.00 0.00 C ATOM 917 CD GLU A 57 -4.929 -4.796 -10.657 1.00 0.00 C ATOM 918 OE1 GLU A 57 -5.448 -3.911 -9.946 1.00 0.00 O ATOM 919 OE2 GLU A 57 -4.982 -4.776 -11.901 1.00 0.00 O ATOM 0 H GLU A 57 -3.691 -6.372 -7.092 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.098 -5.115 -8.164 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.598 -7.683 -8.819 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.985 -7.081 -9.706 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.387 -5.545 -9.381 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.750 -6.575 -10.751 1.00 0.00 H new ATOM 926 N THR A 58 -6.205 -7.370 -5.950 1.00 0.00 N ATOM 927 CA THR A 58 -7.073 -8.213 -5.149 1.00 0.00 C ATOM 928 C THR A 58 -7.684 -7.424 -4.009 1.00 0.00 C ATOM 929 O THR A 58 -8.722 -7.802 -3.460 1.00 0.00 O ATOM 930 CB THR A 58 -6.310 -9.426 -4.590 1.00 0.00 C ATOM 931 OG1 THR A 58 -5.208 -8.998 -3.774 1.00 0.00 O ATOM 932 CG2 THR A 58 -5.796 -10.284 -5.727 1.00 0.00 C ATOM 0 H THR A 58 -5.284 -7.202 -5.545 1.00 0.00 H new ATOM 0 HA THR A 58 -7.870 -8.574 -5.799 1.00 0.00 H new ATOM 0 HB THR A 58 -6.996 -10.010 -3.976 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.896 -8.121 -4.080 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.257 -11.140 -5.322 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.636 -10.635 -6.327 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.124 -9.695 -6.352 1.00 0.00 H new ATOM 940 N LEU A 59 -7.040 -6.317 -3.672 1.00 0.00 N ATOM 941 CA LEU A 59 -7.497 -5.469 -2.584 1.00 0.00 C ATOM 942 C LEU A 59 -8.830 -4.830 -2.930 1.00 0.00 C ATOM 943 O LEU A 59 -9.058 -4.412 -4.068 1.00 0.00 O ATOM 944 CB LEU A 59 -6.472 -4.376 -2.292 1.00 0.00 C ATOM 945 CG LEU A 59 -5.022 -4.850 -2.237 1.00 0.00 C ATOM 946 CD1 LEU A 59 -4.087 -3.686 -1.978 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.852 -5.906 -1.167 1.00 0.00 C ATOM 0 H LEU A 59 -6.196 -5.985 -4.139 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.619 -6.093 -1.699 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.558 -3.605 -3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.722 -3.909 -1.339 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.769 -5.287 -3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.059 -4.046 -1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.188 -2.953 -2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.341 -3.220 -1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.813 -6.233 -1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.126 -5.489 -0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.495 -6.757 -1.391 1.00 0.00 H new ATOM 959 N LYS A 60 -9.714 -4.783 -1.955 1.00 0.00 N ATOM 960 CA LYS A 60 -10.988 -4.116 -2.110 1.00 0.00 C ATOM 961 C LYS A 60 -10.781 -2.598 -2.028 1.00 0.00 C ATOM 962 O LYS A 60 -9.893 -2.148 -1.300 1.00 0.00 O ATOM 963 CB LYS A 60 -11.957 -4.624 -1.037 1.00 0.00 C ATOM 964 CG LYS A 60 -11.653 -4.143 0.365 1.00 0.00 C ATOM 965 CD LYS A 60 -12.654 -4.693 1.369 1.00 0.00 C ATOM 966 CE LYS A 60 -12.738 -6.224 1.306 1.00 0.00 C ATOM 967 NZ LYS A 60 -11.403 -6.864 1.436 1.00 0.00 N ATOM 0 H LYS A 60 -9.570 -5.204 -1.037 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.422 -4.339 -3.085 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.968 -4.313 -1.302 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.946 -5.714 -1.043 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.646 -4.451 0.647 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.672 -3.053 0.390 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.367 -4.385 2.375 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.638 -4.266 1.173 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.391 -6.584 2.101 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.192 -6.523 0.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.501 -7.895 1.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.771 -6.503 0.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.001 -6.642 2.369 1.00 0.00 H new ATOM 981 N PRO A 61 -11.547 -1.801 -2.816 1.00 0.00 N ATOM 982 CA PRO A 61 -11.426 -0.336 -2.867 1.00 0.00 C ATOM 983 C PRO A 61 -11.070 0.318 -1.531 1.00 0.00 C ATOM 984 O PRO A 61 -10.157 1.144 -1.464 1.00 0.00 O ATOM 985 CB PRO A 61 -12.819 0.107 -3.300 1.00 0.00 C ATOM 986 CG PRO A 61 -13.398 -1.035 -4.067 1.00 0.00 C ATOM 987 CD PRO A 61 -12.572 -2.267 -3.770 1.00 0.00 C ATOM 0 HA PRO A 61 -10.614 -0.040 -3.531 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.437 0.349 -2.435 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.768 1.004 -3.917 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.438 -1.196 -3.783 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -13.389 -0.819 -5.135 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.183 -3.061 -3.340 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.118 -2.669 -4.676 1.00 0.00 H new ATOM 995 N SER A 62 -11.786 -0.056 -0.475 1.00 0.00 N ATOM 996 CA SER A 62 -11.591 0.542 0.844 1.00 0.00 C ATOM 997 C SER A 62 -10.152 0.384 1.337 1.00 0.00 C ATOM 998 O SER A 62 -9.575 1.327 1.879 1.00 0.00 O ATOM 999 CB SER A 62 -12.571 -0.062 1.849 1.00 0.00 C ATOM 1000 OG SER A 62 -12.588 -1.473 1.757 1.00 0.00 O ATOM 0 H SER A 62 -12.510 -0.774 -0.506 1.00 0.00 H new ATOM 0 HA SER A 62 -11.787 1.610 0.753 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.291 0.236 2.859 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.572 0.330 1.667 1.00 0.00 H new ATOM 0 HG SER A 62 -13.221 -1.836 2.411 1.00 0.00 H new ATOM 1006 N THR A 63 -9.569 -0.792 1.131 1.00 0.00 N ATOM 1007 CA THR A 63 -8.188 -1.032 1.532 1.00 0.00 C ATOM 1008 C THR A 63 -7.270 -0.106 0.761 1.00 0.00 C ATOM 1009 O THR A 63 -6.486 0.625 1.352 1.00 0.00 O ATOM 1010 CB THR A 63 -7.756 -2.497 1.284 1.00 0.00 C ATOM 1011 OG1 THR A 63 -8.836 -3.383 1.601 1.00 0.00 O ATOM 1012 CG2 THR A 63 -6.544 -2.866 2.127 1.00 0.00 C ATOM 0 H THR A 63 -10.028 -1.590 0.691 1.00 0.00 H new ATOM 0 HA THR A 63 -8.118 -0.838 2.602 1.00 0.00 H new ATOM 0 HB THR A 63 -7.490 -2.593 0.231 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.704 -4.238 1.140 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.265 -3.901 1.930 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.711 -2.211 1.872 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.787 -2.750 3.183 1.00 0.00 H new ATOM 1020 N LEU A 64 -7.424 -0.103 -0.557 1.00 0.00 N ATOM 1021 CA LEU A 64 -6.588 0.708 -1.436 1.00 0.00 C ATOM 1022 C LEU A 64 -6.687 2.184 -1.069 1.00 0.00 C ATOM 1023 O LEU A 64 -5.695 2.906 -1.081 1.00 0.00 O ATOM 1024 CB LEU A 64 -7.018 0.500 -2.890 1.00 0.00 C ATOM 1025 CG LEU A 64 -7.106 -0.954 -3.315 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -8.277 -1.130 -4.236 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -5.843 -1.378 -4.019 1.00 0.00 C ATOM 0 H LEU A 64 -8.127 -0.658 -1.045 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.551 0.396 -1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.990 0.969 -3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.312 1.015 -3.542 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.234 -1.574 -2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.344 -2.173 -4.544 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.193 -0.845 -3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.146 -0.500 -5.116 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.925 -2.424 -4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.695 -0.760 -4.904 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.994 -1.258 -3.346 1.00 0.00 H new ATOM 1039 N ARG A 65 -7.884 2.623 -0.724 1.00 0.00 N ATOM 1040 CA ARG A 65 -8.098 4.016 -0.367 1.00 0.00 C ATOM 1041 C ARG A 65 -7.613 4.311 1.057 1.00 0.00 C ATOM 1042 O ARG A 65 -7.396 5.472 1.414 1.00 0.00 O ATOM 1043 CB ARG A 65 -9.571 4.398 -0.538 1.00 0.00 C ATOM 1044 CG ARG A 65 -10.073 4.292 -1.978 1.00 0.00 C ATOM 1045 CD ARG A 65 -9.229 5.120 -2.943 1.00 0.00 C ATOM 1046 NE ARG A 65 -9.886 5.296 -4.244 1.00 0.00 N ATOM 1047 CZ ARG A 65 -9.504 6.192 -5.164 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -8.614 7.129 -4.863 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -10.048 6.183 -6.374 1.00 0.00 N ATOM 0 H ARG A 65 -8.720 2.040 -0.683 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.506 4.629 -1.046 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.180 3.755 0.097 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.715 5.420 -0.187 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.060 3.248 -2.290 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.110 4.626 -2.026 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.031 6.097 -2.503 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.264 4.634 -3.088 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.684 4.698 -4.461 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.215 7.171 -3.925 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.329 7.807 -5.569 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.761 5.492 -6.608 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.754 6.867 -7.071 1.00 0.00 H new ATOM 1063 N GLU A 66 -7.432 3.271 1.870 1.00 0.00 N ATOM 1064 CA GLU A 66 -6.820 3.438 3.183 1.00 0.00 C ATOM 1065 C GLU A 66 -5.316 3.500 3.049 1.00 0.00 C ATOM 1066 O GLU A 66 -4.668 4.359 3.643 1.00 0.00 O ATOM 1067 CB GLU A 66 -7.196 2.303 4.129 1.00 0.00 C ATOM 1068 CG GLU A 66 -8.482 2.571 4.893 1.00 0.00 C ATOM 1069 CD GLU A 66 -8.388 3.843 5.718 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -9.109 4.817 5.412 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -7.574 3.884 6.665 1.00 0.00 O ATOM 0 H GLU A 66 -7.698 2.313 1.644 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.195 4.371 3.603 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.304 1.381 3.557 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.384 2.144 4.839 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.312 2.652 4.192 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.699 1.727 5.548 1.00 0.00 H new ATOM 1078 N LEU A 67 -4.777 2.579 2.260 1.00 0.00 N ATOM 1079 CA LEU A 67 -3.352 2.536 1.968 1.00 0.00 C ATOM 1080 C LEU A 67 -2.880 3.917 1.513 1.00 0.00 C ATOM 1081 O LEU A 67 -1.818 4.401 1.904 1.00 0.00 O ATOM 1082 CB LEU A 67 -3.094 1.516 0.858 1.00 0.00 C ATOM 1083 CG LEU A 67 -3.765 0.175 1.070 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -3.410 -0.787 -0.042 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -3.394 -0.382 2.430 1.00 0.00 C ATOM 0 H LEU A 67 -5.316 1.842 1.805 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.805 2.246 2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.436 1.934 -0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.019 1.360 0.768 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.846 0.313 1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.904 -1.743 0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.740 -0.377 -0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.330 -0.935 -0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.881 -1.346 2.573 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.313 -0.509 2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.721 0.309 3.207 1.00 0.00 H new ATOM 1097 N GLU A 68 -3.721 4.540 0.692 1.00 0.00 N ATOM 1098 CA GLU A 68 -3.462 5.851 0.118 1.00 0.00 C ATOM 1099 C GLU A 68 -3.434 6.954 1.169 1.00 0.00 C ATOM 1100 O GLU A 68 -2.401 7.587 1.390 1.00 0.00 O ATOM 1101 CB GLU A 68 -4.541 6.164 -0.906 1.00 0.00 C ATOM 1102 CG GLU A 68 -4.367 7.499 -1.583 1.00 0.00 C ATOM 1103 CD GLU A 68 -5.150 8.617 -0.924 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -6.324 8.392 -0.563 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -4.602 9.729 -0.779 1.00 0.00 O ATOM 0 H GLU A 68 -4.614 4.140 0.404 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.477 5.819 -0.347 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.548 5.381 -1.664 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.514 6.140 -0.414 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.309 7.760 -1.587 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.678 7.413 -2.624 1.00 0.00 H new ATOM 1112 N ARG A 69 -4.592 7.197 1.787 1.00 0.00 N ATOM 1113 CA ARG A 69 -4.734 8.221 2.826 1.00 0.00 C ATOM 1114 C ARG A 69 -3.670 8.037 3.892 1.00 0.00 C ATOM 1115 O ARG A 69 -3.256 8.984 4.564 1.00 0.00 O ATOM 1116 CB ARG A 69 -6.121 8.128 3.455 1.00 0.00 C ATOM 1117 CG ARG A 69 -6.346 9.135 4.557 1.00 0.00 C ATOM 1118 CD ARG A 69 -7.329 8.614 5.590 1.00 0.00 C ATOM 1119 NE ARG A 69 -6.969 7.280 6.080 1.00 0.00 N ATOM 1120 CZ ARG A 69 -6.082 7.051 7.051 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -5.420 8.060 7.604 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -5.859 5.812 7.467 1.00 0.00 N ATOM 0 H ARG A 69 -5.455 6.692 1.583 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.610 9.205 2.373 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.874 8.273 2.680 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.264 7.124 3.855 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.397 9.367 5.040 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.722 10.065 4.131 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.371 9.308 6.430 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.327 8.581 5.154 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.426 6.475 5.651 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -5.588 9.015 7.287 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.743 7.880 8.346 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.365 5.033 7.045 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -5.181 5.637 8.209 1.00 0.00 H new ATOM 1136 N TYR A 70 -3.207 6.816 4.010 1.00 0.00 N ATOM 1137 CA TYR A 70 -2.174 6.505 4.960 1.00 0.00 C ATOM 1138 C TYR A 70 -0.819 7.035 4.491 1.00 0.00 C ATOM 1139 O TYR A 70 -0.187 7.818 5.191 1.00 0.00 O ATOM 1140 CB TYR A 70 -2.084 5.003 5.200 1.00 0.00 C ATOM 1141 CG TYR A 70 -0.730 4.605 5.663 1.00 0.00 C ATOM 1142 CD1 TYR A 70 0.048 3.789 4.881 1.00 0.00 C ATOM 1143 CD2 TYR A 70 -0.205 5.097 6.852 1.00 0.00 C ATOM 1144 CE1 TYR A 70 1.310 3.466 5.255 1.00 0.00 C ATOM 1145 CE2 TYR A 70 1.070 4.770 7.243 1.00 0.00 C ATOM 1146 CZ TYR A 70 1.828 3.955 6.441 1.00 0.00 C ATOM 1147 OH TYR A 70 3.103 3.638 6.820 1.00 0.00 O ATOM 0 H TYR A 70 -3.532 6.022 3.458 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.437 6.994 5.898 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -2.825 4.707 5.943 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -2.326 4.471 4.280 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.350 3.399 3.956 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.806 5.743 7.475 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.912 2.826 4.627 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.471 5.150 8.171 1.00 0.00 H new ATOM 0 HH TYR A 70 3.390 2.825 6.354 1.00 0.00 H new ATOM 1157 N VAL A 71 -0.362 6.605 3.321 1.00 0.00 N ATOM 1158 CA VAL A 71 0.962 6.998 2.856 1.00 0.00 C ATOM 1159 C VAL A 71 1.045 8.490 2.689 1.00 0.00 C ATOM 1160 O VAL A 71 2.042 9.101 3.049 1.00 0.00 O ATOM 1161 CB VAL A 71 1.364 6.313 1.540 1.00 0.00 C ATOM 1162 CG1 VAL A 71 1.428 4.829 1.727 1.00 0.00 C ATOM 1163 CG2 VAL A 71 0.397 6.622 0.419 1.00 0.00 C ATOM 0 H VAL A 71 -0.878 5.995 2.687 1.00 0.00 H new ATOM 0 HA VAL A 71 1.663 6.670 3.624 1.00 0.00 H new ATOM 0 HB VAL A 71 2.344 6.703 1.266 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.714 4.356 0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.166 4.590 2.493 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.451 4.459 2.037 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.721 6.117 -0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.599 6.274 0.692 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.371 7.698 0.247 1.00 0.00 H new ATOM 1173 N THR A 72 -0.021 9.085 2.195 1.00 0.00 N ATOM 1174 CA THR A 72 -0.043 10.511 1.992 1.00 0.00 C ATOM 1175 C THR A 72 0.050 11.230 3.347 1.00 0.00 C ATOM 1176 O THR A 72 0.494 12.366 3.424 1.00 0.00 O ATOM 1177 CB THR A 72 -1.306 10.948 1.215 1.00 0.00 C ATOM 1178 OG1 THR A 72 -1.123 12.255 0.664 1.00 0.00 O ATOM 1179 CG2 THR A 72 -2.525 10.953 2.112 1.00 0.00 C ATOM 0 H THR A 72 -0.879 8.602 1.929 1.00 0.00 H new ATOM 0 HA THR A 72 0.820 10.790 1.387 1.00 0.00 H new ATOM 0 HB THR A 72 -1.464 10.229 0.411 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.929 12.519 0.173 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.398 11.264 1.538 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.690 9.951 2.508 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.367 11.647 2.937 1.00 0.00 H new ATOM 1187 N SER A 73 -0.330 10.551 4.430 1.00 0.00 N ATOM 1188 CA SER A 73 -0.211 11.128 5.755 1.00 0.00 C ATOM 1189 C SER A 73 1.252 11.126 6.197 1.00 0.00 C ATOM 1190 O SER A 73 1.696 12.005 6.935 1.00 0.00 O ATOM 1191 CB SER A 73 -1.081 10.356 6.750 1.00 0.00 C ATOM 1192 OG SER A 73 -0.399 9.238 7.292 1.00 0.00 O ATOM 0 H SER A 73 -0.719 9.608 4.409 1.00 0.00 H new ATOM 0 HA SER A 73 -0.561 12.160 5.726 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.386 11.021 7.558 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.991 10.020 6.252 1.00 0.00 H new ATOM 0 HG SER A 73 -0.029 8.696 6.564 1.00 0.00 H new ATOM 1198 N CYS A 74 1.999 10.136 5.716 1.00 0.00 N ATOM 1199 CA CYS A 74 3.408 9.998 6.048 1.00 0.00 C ATOM 1200 C CYS A 74 4.270 10.840 5.112 1.00 0.00 C ATOM 1201 O CYS A 74 5.213 11.507 5.537 1.00 0.00 O ATOM 1202 CB CYS A 74 3.812 8.526 5.963 1.00 0.00 C ATOM 1203 SG CYS A 74 5.519 8.193 6.457 1.00 0.00 S ATOM 0 H CYS A 74 1.645 9.413 5.090 1.00 0.00 H new ATOM 0 HA CYS A 74 3.566 10.356 7.065 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.143 7.941 6.594 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.668 8.180 4.939 1.00 0.00 H new ATOM 0 HG CYS A 74 6.223 9.280 6.346 1.00 0.00 H new ATOM 1209 N LEU A 75 3.926 10.800 3.837 1.00 0.00 N ATOM 1210 CA LEU A 75 4.681 11.487 2.796 1.00 0.00 C ATOM 1211 C LEU A 75 4.435 12.995 2.809 1.00 0.00 C ATOM 1212 O LEU A 75 5.375 13.778 2.658 1.00 0.00 O ATOM 1213 CB LEU A 75 4.313 10.891 1.437 1.00 0.00 C ATOM 1214 CG LEU A 75 4.386 9.370 1.390 1.00 0.00 C ATOM 1215 CD1 LEU A 75 3.795 8.843 0.091 1.00 0.00 C ATOM 1216 CD2 LEU A 75 5.815 8.889 1.568 1.00 0.00 C ATOM 0 H LEU A 75 3.114 10.290 3.490 1.00 0.00 H new ATOM 0 HA LEU A 75 5.744 11.341 2.988 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.302 11.205 1.175 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.980 11.301 0.679 1.00 0.00 H new ATOM 0 HG LEU A 75 3.794 8.977 2.217 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.857 7.755 0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.751 9.148 0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.353 9.248 -0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.840 7.800 1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.437 9.294 0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.196 9.228 2.532 1.00 0.00 H new ATOM 1228 N ARG A 76 3.180 13.413 2.973 1.00 0.00 N ATOM 1229 CA ARG A 76 2.871 14.833 3.019 1.00 0.00 C ATOM 1230 C ARG A 76 3.387 15.453 4.310 1.00 0.00 C ATOM 1231 O ARG A 76 4.048 16.491 4.293 1.00 0.00 O ATOM 1232 CB ARG A 76 1.372 15.107 2.896 1.00 0.00 C ATOM 1233 CG ARG A 76 0.748 14.637 1.593 1.00 0.00 C ATOM 1234 CD ARG A 76 -0.629 15.245 1.403 1.00 0.00 C ATOM 1235 NE ARG A 76 -0.578 16.705 1.365 1.00 0.00 N ATOM 1236 CZ ARG A 76 -1.604 17.494 1.673 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -2.777 16.968 2.002 1.00 0.00 N ATOM 1238 NH2 ARG A 76 -1.459 18.811 1.643 1.00 0.00 N ATOM 0 H ARG A 76 2.375 12.795 3.074 1.00 0.00 H new ATOM 0 HA ARG A 76 3.370 15.287 2.163 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.858 14.622 3.726 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.202 16.179 2.999 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.391 14.913 0.757 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.673 13.550 1.592 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.066 14.873 0.476 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.282 14.925 2.215 1.00 0.00 H new ATOM 0 HE ARG A 76 0.298 17.146 1.085 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.895 15.955 2.020 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.561 17.577 2.237 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.561 19.219 1.384 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.245 19.416 1.879 1.00 0.00 H new ATOM 1409 N TRP B 202 2.102 -4.759 -9.353 1.00 0.00 N ATOM 1410 CA TRP B 202 2.718 -4.710 -8.032 1.00 0.00 C ATOM 1411 C TRP B 202 2.863 -6.129 -7.509 1.00 0.00 C ATOM 1412 O TRP B 202 1.883 -6.746 -7.097 1.00 0.00 O ATOM 1413 CB TRP B 202 1.859 -3.874 -7.082 1.00 0.00 C ATOM 1414 CG TRP B 202 2.578 -3.363 -5.862 1.00 0.00 C ATOM 1415 CD1 TRP B 202 3.875 -2.938 -5.773 1.00 0.00 C ATOM 1416 CD2 TRP B 202 2.010 -3.179 -4.563 1.00 0.00 C ATOM 1417 NE1 TRP B 202 4.143 -2.502 -4.496 1.00 0.00 N ATOM 1418 CE2 TRP B 202 3.013 -2.640 -3.736 1.00 0.00 C ATOM 1419 CE3 TRP B 202 0.749 -3.418 -4.021 1.00 0.00 C ATOM 1420 CZ2 TRP B 202 2.787 -2.332 -2.394 1.00 0.00 C ATOM 1421 CZ3 TRP B 202 0.530 -3.113 -2.691 1.00 0.00 C ATOM 1422 CH2 TRP B 202 1.538 -2.574 -1.893 1.00 0.00 C ATOM 0 HA TRP B 202 3.701 -4.244 -8.098 1.00 0.00 H new ATOM 0 HB2 TRP B 202 1.457 -3.023 -7.632 1.00 0.00 H new ATOM 0 HB3 TRP B 202 1.009 -4.475 -6.760 1.00 0.00 H new ATOM 0 HD1 TRP B 202 4.585 -2.944 -6.587 1.00 0.00 H new ATOM 0 HE1 TRP B 202 5.037 -2.136 -4.169 1.00 0.00 H new ATOM 0 HE3 TRP B 202 -0.042 -3.833 -4.628 1.00 0.00 H new ATOM 0 HZ2 TRP B 202 3.569 -1.918 -1.775 1.00 0.00 H new ATOM 0 HZ3 TRP B 202 -0.443 -3.296 -2.260 1.00 0.00 H new ATOM 0 HH2 TRP B 202 1.328 -2.343 -0.859 1.00 0.00 H new ATOM 1433 N THR B 203 4.076 -6.657 -7.576 1.00 0.00 N ATOM 1434 CA THR B 203 4.328 -8.039 -7.199 1.00 0.00 C ATOM 1435 C THR B 203 5.688 -8.171 -6.502 1.00 0.00 C ATOM 1436 O THR B 203 6.283 -7.157 -6.112 1.00 0.00 O ATOM 1437 CB THR B 203 4.273 -8.968 -8.433 1.00 0.00 C ATOM 1438 OG1 THR B 203 3.512 -8.341 -9.477 1.00 0.00 O ATOM 1439 CG2 THR B 203 3.617 -10.299 -8.083 1.00 0.00 C ATOM 0 H THR B 203 4.903 -6.148 -7.889 1.00 0.00 H new ATOM 0 HA THR B 203 3.546 -8.342 -6.503 1.00 0.00 H new ATOM 0 HB THR B 203 5.295 -9.150 -8.766 1.00 0.00 H new ATOM 0 HG1 THR B 203 3.480 -8.932 -10.258 1.00 0.00 H new ATOM 0 HG21 THR B 203 3.590 -10.935 -8.968 1.00 0.00 H new ATOM 0 HG22 THR B 203 4.191 -10.792 -7.299 1.00 0.00 H new ATOM 0 HG23 THR B 203 2.600 -10.122 -7.732 1.00 0.00 H new ATOM 1447 N LEU B 204 6.147 -9.424 -6.349 1.00 0.00 N ATOM 1448 CA LEU B 204 7.380 -9.779 -5.629 1.00 0.00 C ATOM 1449 C LEU B 204 8.480 -8.729 -5.762 1.00 0.00 C ATOM 1450 O LEU B 204 8.963 -8.201 -4.757 1.00 0.00 O ATOM 1451 CB LEU B 204 7.941 -11.121 -6.133 1.00 0.00 C ATOM 1452 CG LEU B 204 7.207 -12.394 -5.683 1.00 0.00 C ATOM 1453 CD1 LEU B 204 5.857 -12.532 -6.367 1.00 0.00 C ATOM 1454 CD2 LEU B 204 8.062 -13.618 -5.964 1.00 0.00 C ATOM 0 H LEU B 204 5.661 -10.235 -6.731 1.00 0.00 H new ATOM 0 HA LEU B 204 7.093 -9.846 -4.580 1.00 0.00 H new ATOM 0 HB2 LEU B 204 7.945 -11.099 -7.223 1.00 0.00 H new ATOM 0 HB3 LEU B 204 8.980 -11.197 -5.812 1.00 0.00 H new ATOM 0 HG LEU B 204 7.031 -12.315 -4.610 1.00 0.00 H new ATOM 0 HD11 LEU B 204 5.367 -13.443 -6.024 1.00 0.00 H new ATOM 0 HD12 LEU B 204 5.235 -11.671 -6.121 1.00 0.00 H new ATOM 0 HD13 LEU B 204 5.999 -12.580 -7.447 1.00 0.00 H new ATOM 0 HD21 LEU B 204 7.532 -14.514 -5.641 1.00 0.00 H new ATOM 0 HD22 LEU B 204 8.265 -13.682 -7.033 1.00 0.00 H new ATOM 0 HD23 LEU B 204 9.003 -13.537 -5.420 1.00 0.00 H new ATOM 1466 N GLU B 205 8.868 -8.438 -7.000 1.00 0.00 N ATOM 1467 CA GLU B 205 10.006 -7.570 -7.261 1.00 0.00 C ATOM 1468 C GLU B 205 9.800 -6.184 -6.657 1.00 0.00 C ATOM 1469 O GLU B 205 10.561 -5.768 -5.790 1.00 0.00 O ATOM 1470 CB GLU B 205 10.278 -7.461 -8.763 1.00 0.00 C ATOM 1471 CG GLU B 205 11.593 -6.771 -9.091 1.00 0.00 C ATOM 1472 CD GLU B 205 11.876 -6.715 -10.576 1.00 0.00 C ATOM 1473 OE1 GLU B 205 12.442 -7.688 -11.117 1.00 0.00 O ATOM 1474 OE2 GLU B 205 11.536 -5.699 -11.215 1.00 0.00 O ATOM 0 H GLU B 205 8.408 -8.793 -7.839 1.00 0.00 H new ATOM 0 HA GLU B 205 10.876 -8.020 -6.783 1.00 0.00 H new ATOM 0 HB2 GLU B 205 10.283 -8.461 -9.197 1.00 0.00 H new ATOM 0 HB3 GLU B 205 9.462 -6.913 -9.234 1.00 0.00 H new ATOM 0 HG2 GLU B 205 11.575 -5.757 -8.692 1.00 0.00 H new ATOM 0 HG3 GLU B 205 12.407 -7.296 -8.591 1.00 0.00 H new ATOM 1481 N ARG B 206 8.763 -5.481 -7.094 1.00 0.00 N ATOM 1482 CA ARG B 206 8.532 -4.111 -6.631 1.00 0.00 C ATOM 1483 C ARG B 206 8.458 -4.034 -5.106 1.00 0.00 C ATOM 1484 O ARG B 206 9.299 -3.393 -4.460 1.00 0.00 O ATOM 1485 CB ARG B 206 7.251 -3.528 -7.242 1.00 0.00 C ATOM 1486 CG ARG B 206 7.443 -2.892 -8.614 1.00 0.00 C ATOM 1487 CD ARG B 206 7.764 -3.922 -9.686 1.00 0.00 C ATOM 1488 NE ARG B 206 7.996 -3.302 -10.988 1.00 0.00 N ATOM 1489 CZ ARG B 206 8.255 -3.980 -12.104 1.00 0.00 C ATOM 1490 NH1 ARG B 206 8.295 -5.307 -12.083 1.00 0.00 N ATOM 1491 NH2 ARG B 206 8.464 -3.332 -13.243 1.00 0.00 N ATOM 0 H ARG B 206 8.073 -5.828 -7.761 1.00 0.00 H new ATOM 0 HA ARG B 206 9.384 -3.518 -6.963 1.00 0.00 H new ATOM 0 HB2 ARG B 206 6.508 -4.321 -7.323 1.00 0.00 H new ATOM 0 HB3 ARG B 206 6.846 -2.780 -6.561 1.00 0.00 H new ATOM 0 HG2 ARG B 206 6.538 -2.351 -8.892 1.00 0.00 H new ATOM 0 HG3 ARG B 206 8.249 -2.160 -8.563 1.00 0.00 H new ATOM 0 HD2 ARG B 206 8.647 -4.489 -9.392 1.00 0.00 H new ATOM 0 HD3 ARG B 206 6.941 -4.633 -9.764 1.00 0.00 H new ATOM 0 HE ARG B 206 7.957 -2.284 -11.046 1.00 0.00 H new ATOM 0 HH11 ARG B 206 8.127 -5.809 -11.211 1.00 0.00 H new ATOM 0 HH12 ARG B 206 8.494 -5.825 -12.939 1.00 0.00 H new ATOM 0 HH21 ARG B 206 8.426 -2.313 -13.264 1.00 0.00 H new ATOM 0 HH22 ARG B 206 8.662 -3.853 -14.097 1.00 0.00 H new ATOM 1505 N LEU B 207 7.481 -4.723 -4.533 1.00 0.00 N ATOM 1506 CA LEU B 207 7.186 -4.588 -3.114 1.00 0.00 C ATOM 1507 C LEU B 207 8.324 -5.092 -2.238 1.00 0.00 C ATOM 1508 O LEU B 207 8.966 -4.305 -1.547 1.00 0.00 O ATOM 1509 CB LEU B 207 5.889 -5.318 -2.761 1.00 0.00 C ATOM 1510 CG LEU B 207 5.501 -5.292 -1.276 1.00 0.00 C ATOM 1511 CD1 LEU B 207 5.528 -3.877 -0.725 1.00 0.00 C ATOM 1512 CD2 LEU B 207 4.124 -5.887 -1.102 1.00 0.00 C ATOM 0 H LEU B 207 6.880 -5.381 -5.029 1.00 0.00 H new ATOM 0 HA LEU B 207 7.065 -3.523 -2.915 1.00 0.00 H new ATOM 0 HB2 LEU B 207 5.076 -4.879 -3.339 1.00 0.00 H new ATOM 0 HB3 LEU B 207 5.979 -6.357 -3.077 1.00 0.00 H new ATOM 0 HG LEU B 207 6.229 -5.883 -0.720 1.00 0.00 H new ATOM 0 HD11 LEU B 207 5.249 -3.891 0.329 1.00 0.00 H new ATOM 0 HD12 LEU B 207 6.532 -3.465 -0.829 1.00 0.00 H new ATOM 0 HD13 LEU B 207 4.823 -3.257 -1.279 1.00 0.00 H new ATOM 0 HD21 LEU B 207 3.850 -5.868 -0.047 1.00 0.00 H new ATOM 0 HD22 LEU B 207 3.402 -5.306 -1.675 1.00 0.00 H new ATOM 0 HD23 LEU B 207 4.125 -6.917 -1.458 1.00 0.00 H new ATOM 1524 N LYS B 208 8.590 -6.392 -2.284 1.00 0.00 N ATOM 1525 CA LYS B 208 9.500 -7.010 -1.329 1.00 0.00 C ATOM 1526 C LYS B 208 10.915 -6.445 -1.447 1.00 0.00 C ATOM 1527 O LYS B 208 11.619 -6.313 -0.446 1.00 0.00 O ATOM 1528 CB LYS B 208 9.530 -8.531 -1.501 1.00 0.00 C ATOM 1529 CG LYS B 208 10.285 -9.238 -0.385 1.00 0.00 C ATOM 1530 CD LYS B 208 10.458 -10.725 -0.650 1.00 0.00 C ATOM 1531 CE LYS B 208 9.135 -11.470 -0.633 1.00 0.00 C ATOM 1532 NZ LYS B 208 9.341 -12.942 -0.672 1.00 0.00 N ATOM 0 H LYS B 208 8.191 -7.035 -2.968 1.00 0.00 H new ATOM 0 HA LYS B 208 9.122 -6.775 -0.334 1.00 0.00 H new ATOM 0 HB2 LYS B 208 8.508 -8.908 -1.537 1.00 0.00 H new ATOM 0 HB3 LYS B 208 9.993 -8.774 -2.457 1.00 0.00 H new ATOM 0 HG2 LYS B 208 11.266 -8.777 -0.265 1.00 0.00 H new ATOM 0 HG3 LYS B 208 9.751 -9.100 0.555 1.00 0.00 H new ATOM 0 HD2 LYS B 208 10.940 -10.866 -1.618 1.00 0.00 H new ATOM 0 HD3 LYS B 208 11.122 -11.151 0.102 1.00 0.00 H new ATOM 0 HE2 LYS B 208 8.577 -11.203 0.264 1.00 0.00 H new ATOM 0 HE3 LYS B 208 8.532 -11.163 -1.487 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 8.426 -13.424 -0.557 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 9.761 -13.210 -1.585 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 9.980 -13.224 0.099 1.00 0.00 H new ATOM 1546 N ARG B 209 11.321 -6.084 -2.660 1.00 0.00 N ATOM 1547 CA ARG B 209 12.686 -5.620 -2.885 1.00 0.00 C ATOM 1548 C ARG B 209 12.900 -4.227 -2.304 1.00 0.00 C ATOM 1549 O ARG B 209 13.999 -3.902 -1.862 1.00 0.00 O ATOM 1550 CB ARG B 209 13.039 -5.634 -4.374 1.00 0.00 C ATOM 1551 CG ARG B 209 13.385 -7.014 -4.935 1.00 0.00 C ATOM 1552 CD ARG B 209 12.333 -8.071 -4.608 1.00 0.00 C ATOM 1553 NE ARG B 209 12.525 -9.285 -5.397 1.00 0.00 N ATOM 1554 CZ ARG B 209 12.199 -10.506 -4.981 1.00 0.00 C ATOM 1555 NH1 ARG B 209 11.762 -10.695 -3.746 1.00 0.00 N ATOM 1556 NH2 ARG B 209 12.353 -11.544 -5.790 1.00 0.00 N ATOM 0 H ARG B 209 10.733 -6.103 -3.493 1.00 0.00 H new ATOM 0 HA ARG B 209 13.352 -6.312 -2.369 1.00 0.00 H new ATOM 0 HB2 ARG B 209 12.198 -5.228 -4.937 1.00 0.00 H new ATOM 0 HB3 ARG B 209 13.885 -4.967 -4.539 1.00 0.00 H new ATOM 0 HG2 ARG B 209 13.497 -6.943 -6.017 1.00 0.00 H new ATOM 0 HG3 ARG B 209 14.348 -7.332 -4.535 1.00 0.00 H new ATOM 0 HD2 ARG B 209 12.380 -8.315 -3.547 1.00 0.00 H new ATOM 0 HD3 ARG B 209 11.339 -7.666 -4.798 1.00 0.00 H new ATOM 0 HE ARG B 209 12.935 -9.191 -6.326 1.00 0.00 H new ATOM 0 HH11 ARG B 209 11.674 -9.903 -3.109 1.00 0.00 H new ATOM 0 HH12 ARG B 209 11.513 -11.633 -3.431 1.00 0.00 H new ATOM 0 HH21 ARG B 209 12.721 -11.407 -6.731 1.00 0.00 H new ATOM 0 HH22 ARG B 209 12.103 -12.480 -5.472 1.00 0.00 H new ATOM 1570 N LYS B 210 11.865 -3.393 -2.310 1.00 0.00 N ATOM 1571 CA LYS B 210 11.959 -2.094 -1.653 1.00 0.00 C ATOM 1572 C LYS B 210 11.667 -2.229 -0.161 1.00 0.00 C ATOM 1573 O LYS B 210 12.260 -1.540 0.670 1.00 0.00 O ATOM 1574 CB LYS B 210 10.994 -1.089 -2.290 1.00 0.00 C ATOM 1575 CG LYS B 210 10.909 0.238 -1.544 1.00 0.00 C ATOM 1576 CD LYS B 210 12.272 0.904 -1.412 1.00 0.00 C ATOM 1577 CE LYS B 210 12.183 2.239 -0.685 1.00 0.00 C ATOM 1578 NZ LYS B 210 11.466 2.130 0.614 1.00 0.00 N ATOM 0 H LYS B 210 10.967 -3.588 -2.754 1.00 0.00 H new ATOM 0 HA LYS B 210 12.976 -1.723 -1.781 1.00 0.00 H new ATOM 0 HB2 LYS B 210 11.307 -0.899 -3.317 1.00 0.00 H new ATOM 0 HB3 LYS B 210 10.000 -1.533 -2.337 1.00 0.00 H new ATOM 0 HG2 LYS B 210 10.228 0.907 -2.070 1.00 0.00 H new ATOM 0 HG3 LYS B 210 10.489 0.071 -0.552 1.00 0.00 H new ATOM 0 HD2 LYS B 210 12.949 0.241 -0.873 1.00 0.00 H new ATOM 0 HD3 LYS B 210 12.698 1.058 -2.403 1.00 0.00 H new ATOM 0 HE2 LYS B 210 13.188 2.623 -0.511 1.00 0.00 H new ATOM 0 HE3 LYS B 210 11.671 2.962 -1.320 1.00 0.00 H new ATOM 0 HZ1 LYS B 210 11.883 2.794 1.298 1.00 0.00 H new ATOM 0 HZ2 LYS B 210 10.461 2.361 0.476 1.00 0.00 H new ATOM 0 HZ3 LYS B 210 11.552 1.159 0.977 1.00 0.00 H new ATOM 1592 N TYR B 211 10.753 -3.128 0.159 1.00 0.00 N ATOM 1593 CA TYR B 211 10.307 -3.338 1.528 1.00 0.00 C ATOM 1594 C TYR B 211 11.446 -3.850 2.407 1.00 0.00 C ATOM 1595 O TYR B 211 11.831 -3.196 3.378 1.00 0.00 O ATOM 1596 CB TYR B 211 9.145 -4.333 1.517 1.00 0.00 C ATOM 1597 CG TYR B 211 8.428 -4.508 2.835 1.00 0.00 C ATOM 1598 CD1 TYR B 211 7.120 -4.084 2.970 1.00 0.00 C ATOM 1599 CD2 TYR B 211 9.044 -5.107 3.929 1.00 0.00 C ATOM 1600 CE1 TYR B 211 6.440 -4.248 4.162 1.00 0.00 C ATOM 1601 CE2 TYR B 211 8.371 -5.270 5.125 1.00 0.00 C ATOM 1602 CZ TYR B 211 7.068 -4.838 5.234 1.00 0.00 C ATOM 1603 OH TYR B 211 6.386 -5.002 6.418 1.00 0.00 O ATOM 0 H TYR B 211 10.298 -3.735 -0.523 1.00 0.00 H new ATOM 0 HA TYR B 211 9.976 -2.388 1.948 1.00 0.00 H new ATOM 0 HB2 TYR B 211 8.421 -4.011 0.769 1.00 0.00 H new ATOM 0 HB3 TYR B 211 9.523 -5.304 1.197 1.00 0.00 H new ATOM 0 HD1 TYR B 211 6.622 -3.618 2.133 1.00 0.00 H new ATOM 0 HD2 TYR B 211 10.064 -5.450 3.842 1.00 0.00 H new ATOM 0 HE1 TYR B 211 5.417 -3.913 4.252 1.00 0.00 H new ATOM 0 HE2 TYR B 211 8.863 -5.733 5.968 1.00 0.00 H new ATOM 0 HH TYR B 211 6.970 -5.435 7.075 1.00 0.00 H new