USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 569 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 34 LYS NZ :NH3+ -142:sc= 0 (180deg=0) USER MOD Set 1.2: A 53 HIS : no HD1:sc= 0 X(o=0,f=0.026) USER MOD Set 2.1: A 18 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.385) USER MOD Set 2.2: A 48 HIS : no HE2:sc= -3.08 X(o=-3.1,f=-3.6) USER MOD Set 3.1: A 16 CYS SG : rot 180:sc= -0.633 USER MOD Set 3.2: A 19 CYS SG : rot -97:sc= 0.949 USER MOD Set 3.3: A 21 THR OG1 : rot 107:sc= 1.41 USER MOD Set 3.4: A 41 CYS SG : rot -143:sc= 0.202 USER MOD Set 3.5: A 43 HIS : no HD1:sc= -0.198 X(o=-0.91,f=-1) USER MOD Set 3.6: A 44 CYS SG : rot 180:sc= -2.64! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl -146:sc= -0.561 (180deg=-1.63!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.129) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot -19:sc= -0.227 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0164 USER MOD Single : A 25 HIS : no HD1:sc= -1.34 X(o=-1.3,f=-0.97) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -148:sc= -1.83 (180deg=-4.83!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -165:sc= -0.134 (180deg=-0.52) USER MOD Single : A 30 GLN : amide:sc= -2.74 K(o=-2.7,f=-8!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -127:sc= -3.11! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -148:sc= -0.099 (180deg=-0.89) USER MOD Single : A 58 HIS : no HD1:sc= -0.0385 X(o=-0.039,f=-0.45) USER MOD Single : A 60 HIS :FLIP no HD1:sc= -1.12 F(o=-1.8,f=-1.1) USER MOD Single : A 61 HIS : no HD1:sc= -0.087 X(o=-0.087,f=0.012) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.172 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 MET CE :methyl 137:sc= -0.645 (180deg=-2.22) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N LYS A 9 -3.308 -20.017 -3.116 1.00 0.00 N ATOM 118 CA LYS A 9 -4.151 -20.700 -2.143 1.00 0.00 C ATOM 119 C LYS A 9 -3.324 -21.643 -1.274 1.00 0.00 C ATOM 120 O LYS A 9 -2.299 -22.166 -1.711 1.00 0.00 O ATOM 121 CB LYS A 9 -5.256 -21.483 -2.854 1.00 0.00 C ATOM 122 CG LYS A 9 -4.765 -22.277 -4.052 1.00 0.00 C ATOM 123 CD LYS A 9 -5.791 -23.304 -4.500 1.00 0.00 C ATOM 124 CE LYS A 9 -6.855 -22.679 -5.389 1.00 0.00 C ATOM 125 NZ LYS A 9 -6.369 -22.489 -6.784 1.00 0.00 N ATOM 0 HA LYS A 9 -4.605 -19.946 -1.501 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.721 -22.165 -2.143 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.029 -20.788 -3.182 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.546 -21.597 -4.875 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.832 -22.780 -3.798 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.291 -24.108 -5.040 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.263 -23.753 -3.626 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.741 -23.314 -5.396 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.155 -21.717 -4.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.123 -22.061 -7.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.538 -21.863 -6.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.106 -23.410 -7.189 1.00 0.00 H new ATOM 139 N MET A 10 -3.777 -21.857 -0.043 1.00 0.00 N ATOM 140 CA MET A 10 -3.080 -22.740 0.885 1.00 0.00 C ATOM 141 C MET A 10 -4.052 -23.711 1.546 1.00 0.00 C ATOM 142 O MET A 10 -5.220 -23.386 1.758 1.00 0.00 O ATOM 143 CB MET A 10 -2.353 -21.920 1.953 1.00 0.00 C ATOM 144 CG MET A 10 -3.218 -20.840 2.583 1.00 0.00 C ATOM 145 SD MET A 10 -4.258 -21.470 3.914 1.00 0.00 S ATOM 146 CE MET A 10 -3.137 -21.348 5.306 1.00 0.00 C ATOM 0 H MET A 10 -4.623 -21.431 0.335 1.00 0.00 H new ATOM 0 HA MET A 10 -2.348 -23.317 0.319 1.00 0.00 H new ATOM 0 HB2 MET A 10 -1.997 -22.591 2.735 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.474 -21.456 1.507 1.00 0.00 H new ATOM 0 HG2 MET A 10 -2.578 -20.048 2.972 1.00 0.00 H new ATOM 0 HG3 MET A 10 -3.849 -20.392 1.815 1.00 0.00 H new ATOM 0 HE1 MET A 10 -3.637 -21.702 6.208 1.00 0.00 H new ATOM 0 HE2 MET A 10 -2.254 -21.958 5.117 1.00 0.00 H new ATOM 0 HE3 MET A 10 -2.837 -20.309 5.442 1.00 0.00 H new ATOM 156 N MET A 11 -3.563 -24.903 1.869 1.00 0.00 N ATOM 157 CA MET A 11 -4.390 -25.921 2.507 1.00 0.00 C ATOM 158 C MET A 11 -3.798 -26.340 3.849 1.00 0.00 C ATOM 159 O MET A 11 -2.579 -26.347 4.025 1.00 0.00 O ATOM 160 CB MET A 11 -4.529 -27.141 1.595 1.00 0.00 C ATOM 161 CG MET A 11 -3.218 -27.872 1.354 1.00 0.00 C ATOM 162 SD MET A 11 -2.312 -27.224 -0.064 1.00 0.00 S ATOM 163 CE MET A 11 -0.821 -26.628 0.730 1.00 0.00 C ATOM 0 H MET A 11 -2.598 -25.188 1.700 1.00 0.00 H new ATOM 0 HA MET A 11 -5.377 -25.493 2.683 1.00 0.00 H new ATOM 0 HB2 MET A 11 -5.246 -27.834 2.035 1.00 0.00 H new ATOM 0 HB3 MET A 11 -4.940 -26.823 0.637 1.00 0.00 H new ATOM 0 HG2 MET A 11 -2.594 -27.795 2.245 1.00 0.00 H new ATOM 0 HG3 MET A 11 -3.421 -28.931 1.197 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.465 -25.736 0.214 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.036 -26.383 1.770 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.054 -27.401 0.690 1.00 0.00 H new ATOM 173 N ILE A 12 -4.668 -26.686 4.792 1.00 0.00 N ATOM 174 CA ILE A 12 -4.230 -27.107 6.117 1.00 0.00 C ATOM 175 C ILE A 12 -5.080 -28.261 6.637 1.00 0.00 C ATOM 176 O ILE A 12 -6.303 -28.156 6.722 1.00 0.00 O ATOM 177 CB ILE A 12 -4.292 -25.944 7.126 1.00 0.00 C ATOM 178 CG1 ILE A 12 -5.605 -25.174 6.969 1.00 0.00 C ATOM 179 CG2 ILE A 12 -3.102 -25.016 6.938 1.00 0.00 C ATOM 180 CD1 ILE A 12 -6.067 -24.501 8.243 1.00 0.00 C ATOM 0 H ILE A 12 -5.680 -26.683 4.663 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.196 -27.437 6.017 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.252 -26.355 8.135 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.483 -24.419 6.192 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.381 -25.860 6.628 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.160 -24.200 7.658 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.178 -25.573 7.094 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.114 -24.610 5.927 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.003 -23.974 8.057 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.221 -25.253 9.017 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.310 -23.790 8.574 1.00 0.00 H new ATOM 192 N ALA A 13 -4.422 -29.363 6.985 1.00 0.00 N ATOM 193 CA ALA A 13 -5.117 -30.536 7.500 1.00 0.00 C ATOM 194 C ALA A 13 -5.329 -30.431 9.006 1.00 0.00 C ATOM 195 O ALA A 13 -4.372 -30.301 9.770 1.00 0.00 O ATOM 196 CB ALA A 13 -4.340 -31.800 7.161 1.00 0.00 C ATOM 0 H ALA A 13 -3.409 -29.467 6.919 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.097 -30.586 7.025 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.870 -32.669 7.551 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.245 -31.889 6.079 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.348 -31.749 7.610 1.00 0.00 H new ATOM 202 N PHE A 14 -6.588 -30.488 9.427 1.00 0.00 N ATOM 203 CA PHE A 14 -6.926 -30.398 10.843 1.00 0.00 C ATOM 204 C PHE A 14 -7.686 -31.639 11.301 1.00 0.00 C ATOM 205 O PHE A 14 -8.574 -32.131 10.603 1.00 0.00 O ATOM 206 CB PHE A 14 -7.763 -29.145 11.110 1.00 0.00 C ATOM 207 CG PHE A 14 -9.233 -29.423 11.239 1.00 0.00 C ATOM 208 CD1 PHE A 14 -10.040 -29.487 10.114 1.00 0.00 C ATOM 209 CD2 PHE A 14 -9.808 -29.620 12.484 1.00 0.00 C ATOM 210 CE1 PHE A 14 -11.394 -29.742 10.229 1.00 0.00 C ATOM 211 CE2 PHE A 14 -11.161 -29.876 12.605 1.00 0.00 C ATOM 212 CZ PHE A 14 -11.955 -29.936 11.476 1.00 0.00 C ATOM 0 H PHE A 14 -7.391 -30.596 8.808 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.997 -30.334 11.410 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -7.410 -28.670 12.025 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.606 -28.433 10.300 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.606 -29.336 9.137 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.192 -29.573 13.370 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -12.012 -29.789 9.345 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -11.597 -30.029 13.581 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.013 -30.134 11.568 1.00 0.00 H new ATOM 222 N THR A 15 -7.332 -32.142 12.480 1.00 0.00 N ATOM 223 CA THR A 15 -7.979 -33.326 13.031 1.00 0.00 C ATOM 224 C THR A 15 -9.288 -32.965 13.723 1.00 0.00 C ATOM 225 O THR A 15 -9.290 -32.305 14.763 1.00 0.00 O ATOM 226 CB THR A 15 -7.063 -34.049 14.036 1.00 0.00 C ATOM 227 OG1 THR A 15 -5.861 -34.476 13.384 1.00 0.00 O ATOM 228 CG2 THR A 15 -7.770 -35.251 14.644 1.00 0.00 C ATOM 0 H THR A 15 -6.601 -31.747 13.071 1.00 0.00 H new ATOM 0 HA THR A 15 -8.186 -33.992 12.194 1.00 0.00 H new ATOM 0 HB THR A 15 -6.814 -33.351 14.835 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.283 -34.933 14.030 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.104 -35.746 15.351 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.669 -34.920 15.164 1.00 0.00 H new ATOM 0 HG23 THR A 15 -8.045 -35.950 13.854 1.00 0.00 H new ATOM 236 N CYS A 16 -10.400 -33.402 13.141 1.00 0.00 N ATOM 237 CA CYS A 16 -11.717 -33.124 13.703 1.00 0.00 C ATOM 238 C CYS A 16 -11.888 -33.812 15.053 1.00 0.00 C ATOM 239 O CYS A 16 -11.957 -35.039 15.134 1.00 0.00 O ATOM 240 CB CYS A 16 -12.812 -33.585 12.740 1.00 0.00 C ATOM 241 SG CYS A 16 -14.451 -32.917 13.112 1.00 0.00 S ATOM 0 H CYS A 16 -10.416 -33.950 12.281 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.802 -32.047 13.851 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.535 -33.296 11.726 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -12.862 -34.674 12.758 1.00 0.00 H new ATOM 0 HG CYS A 16 -15.309 -33.362 12.242 1.00 0.00 H new ATOM 246 N LYS A 17 -11.954 -33.014 16.114 1.00 0.00 N ATOM 247 CA LYS A 17 -12.117 -33.544 17.462 1.00 0.00 C ATOM 248 C LYS A 17 -13.522 -34.103 17.661 1.00 0.00 C ATOM 249 O LYS A 17 -13.802 -34.767 18.660 1.00 0.00 O ATOM 250 CB LYS A 17 -11.839 -32.453 18.498 1.00 0.00 C ATOM 251 CG LYS A 17 -12.821 -31.296 18.442 1.00 0.00 C ATOM 252 CD LYS A 17 -12.313 -30.095 19.221 1.00 0.00 C ATOM 253 CE LYS A 17 -13.460 -29.268 19.782 1.00 0.00 C ATOM 254 NZ LYS A 17 -14.437 -28.886 18.726 1.00 0.00 N ATOM 0 H LYS A 17 -11.897 -31.997 16.066 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.401 -34.355 17.596 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.867 -32.894 19.494 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.830 -32.070 18.347 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.991 -31.012 17.404 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.782 -31.613 18.847 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.674 -30.433 20.037 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.698 -29.472 18.571 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -13.970 -29.836 20.560 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.063 -28.368 20.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -15.064 -28.139 19.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.926 -28.535 17.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -15.004 -29.716 18.461 1.00 0.00 H new ATOM 268 N LYS A 18 -14.403 -33.832 16.704 1.00 0.00 N ATOM 269 CA LYS A 18 -15.779 -34.309 16.772 1.00 0.00 C ATOM 270 C LYS A 18 -15.850 -35.807 16.491 1.00 0.00 C ATOM 271 O LYS A 18 -16.296 -36.585 17.334 1.00 0.00 O ATOM 272 CB LYS A 18 -16.654 -33.550 15.773 1.00 0.00 C ATOM 273 CG LYS A 18 -16.416 -32.050 15.772 1.00 0.00 C ATOM 274 CD LYS A 18 -17.294 -31.345 14.752 1.00 0.00 C ATOM 275 CE LYS A 18 -17.263 -29.836 14.936 1.00 0.00 C ATOM 276 NZ LYS A 18 -18.493 -29.187 14.403 1.00 0.00 N ATOM 0 H LYS A 18 -14.188 -33.284 15.871 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.150 -34.128 17.781 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -16.469 -33.939 14.772 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.702 -33.743 16.001 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.617 -31.649 16.765 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.368 -31.848 15.552 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -16.958 -31.597 13.746 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -18.320 -31.703 14.844 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -17.158 -29.601 15.995 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -16.388 -29.426 14.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -18.548 -28.209 14.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -18.461 -29.183 13.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -19.330 -29.715 14.722 1.00 0.00 H new ATOM 290 N CYS A 19 -15.407 -36.202 15.303 1.00 0.00 N ATOM 291 CA CYS A 19 -15.419 -37.607 14.911 1.00 0.00 C ATOM 292 C CYS A 19 -13.999 -38.146 14.773 1.00 0.00 C ATOM 293 O CYS A 19 -13.768 -39.150 14.100 1.00 0.00 O ATOM 294 CB CYS A 19 -16.176 -37.784 13.594 1.00 0.00 C ATOM 295 SG CYS A 19 -15.628 -36.677 12.274 1.00 0.00 S ATOM 0 H CYS A 19 -15.035 -35.570 14.594 1.00 0.00 H new ATOM 0 HA CYS A 19 -15.927 -38.172 15.692 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -16.064 -38.815 13.259 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -17.239 -37.620 13.773 1.00 0.00 H new ATOM 0 HG CYS A 19 -16.420 -35.648 12.214 1.00 0.00 H new ATOM 300 N ASN A 20 -13.050 -37.470 15.413 1.00 0.00 N ATOM 301 CA ASN A 20 -11.652 -37.879 15.359 1.00 0.00 C ATOM 302 C ASN A 20 -11.222 -38.159 13.922 1.00 0.00 C ATOM 303 O ASN A 20 -10.395 -39.036 13.668 1.00 0.00 O ATOM 304 CB ASN A 20 -11.429 -39.124 16.221 1.00 0.00 C ATOM 305 CG ASN A 20 -12.144 -39.038 17.556 1.00 0.00 C ATOM 306 OD1 ASN A 20 -12.920 -39.924 17.915 1.00 0.00 O ATOM 307 ND2 ASN A 20 -11.886 -37.967 18.297 1.00 0.00 N ATOM 0 H ASN A 20 -13.224 -36.637 15.975 1.00 0.00 H new ATOM 0 HA ASN A 20 -11.045 -37.062 15.749 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -11.778 -40.004 15.681 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -10.361 -39.258 16.392 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -12.338 -37.854 19.204 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -11.236 -37.258 17.959 1.00 0.00 H new ATOM 314 N THR A 21 -11.788 -37.407 12.984 1.00 0.00 N ATOM 315 CA THR A 21 -11.464 -37.573 11.572 1.00 0.00 C ATOM 316 C THR A 21 -10.633 -36.403 11.058 1.00 0.00 C ATOM 317 O THR A 21 -11.021 -35.244 11.199 1.00 0.00 O ATOM 318 CB THR A 21 -12.738 -37.699 10.715 1.00 0.00 C ATOM 319 OG1 THR A 21 -13.573 -38.743 11.229 1.00 0.00 O ATOM 320 CG2 THR A 21 -12.387 -37.993 9.264 1.00 0.00 C ATOM 0 H THR A 21 -12.473 -36.677 13.176 1.00 0.00 H new ATOM 0 HA THR A 21 -10.885 -38.492 11.486 1.00 0.00 H new ATOM 0 HB THR A 21 -13.274 -36.751 10.758 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.348 -38.349 11.681 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.302 -38.078 8.678 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.775 -37.183 8.866 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.832 -38.929 9.207 1.00 0.00 H new ATOM 328 N ARG A 22 -9.488 -36.715 10.459 1.00 0.00 N ATOM 329 CA ARG A 22 -8.602 -35.689 9.923 1.00 0.00 C ATOM 330 C ARG A 22 -8.773 -35.558 8.412 1.00 0.00 C ATOM 331 O ARG A 22 -8.983 -36.549 7.713 1.00 0.00 O ATOM 332 CB ARG A 22 -7.146 -36.019 10.255 1.00 0.00 C ATOM 333 CG ARG A 22 -6.169 -34.920 9.871 1.00 0.00 C ATOM 334 CD ARG A 22 -4.735 -35.310 10.195 1.00 0.00 C ATOM 335 NE ARG A 22 -4.057 -35.905 9.046 1.00 0.00 N ATOM 336 CZ ARG A 22 -2.846 -36.446 9.108 1.00 0.00 C ATOM 337 NH1 ARG A 22 -2.183 -36.468 10.256 1.00 0.00 N ATOM 338 NH2 ARG A 22 -2.295 -36.968 8.019 1.00 0.00 N ATOM 0 H ARG A 22 -9.153 -37.670 10.333 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.867 -34.738 10.385 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.061 -36.212 11.324 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.865 -36.939 9.742 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.258 -34.709 8.805 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.426 -34.002 10.400 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.185 -34.428 10.524 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.730 -36.017 11.025 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.540 -35.905 8.148 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.603 -36.069 11.095 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.253 -36.884 10.300 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.802 -36.954 7.134 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.365 -37.383 8.067 1.00 0.00 H new ATOM 352 N SER A 23 -8.683 -34.328 7.917 1.00 0.00 N ATOM 353 CA SER A 23 -8.832 -34.066 6.490 1.00 0.00 C ATOM 354 C SER A 23 -8.170 -32.745 6.108 1.00 0.00 C ATOM 355 O SER A 23 -7.998 -31.860 6.945 1.00 0.00 O ATOM 356 CB SER A 23 -10.313 -34.036 6.107 1.00 0.00 C ATOM 357 OG SER A 23 -10.964 -35.233 6.496 1.00 0.00 O ATOM 0 H SER A 23 -8.508 -33.497 8.482 1.00 0.00 H new ATOM 0 HA SER A 23 -8.339 -34.871 5.945 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.798 -33.183 6.583 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.411 -33.898 5.030 1.00 0.00 H new ATOM 0 HG SER A 23 -10.296 -35.934 6.649 1.00 0.00 H new ATOM 363 N SER A 24 -7.800 -32.622 4.837 1.00 0.00 N ATOM 364 CA SER A 24 -7.153 -31.412 4.343 1.00 0.00 C ATOM 365 C SER A 24 -8.107 -30.604 3.470 1.00 0.00 C ATOM 366 O SER A 24 -8.934 -31.164 2.749 1.00 0.00 O ATOM 367 CB SER A 24 -5.895 -31.769 3.549 1.00 0.00 C ATOM 368 OG SER A 24 -5.964 -33.095 3.054 1.00 0.00 O ATOM 0 H SER A 24 -7.937 -33.345 4.131 1.00 0.00 H new ATOM 0 HA SER A 24 -6.871 -30.803 5.202 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.776 -31.073 2.719 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.017 -31.660 4.185 1.00 0.00 H new ATOM 0 HG SER A 24 -5.149 -33.298 2.549 1.00 0.00 H new ATOM 374 N HIS A 25 -7.987 -29.282 3.539 1.00 0.00 N ATOM 375 CA HIS A 25 -8.838 -28.394 2.754 1.00 0.00 C ATOM 376 C HIS A 25 -8.045 -27.197 2.238 1.00 0.00 C ATOM 377 O HIS A 25 -7.409 -26.480 3.011 1.00 0.00 O ATOM 378 CB HIS A 25 -10.021 -27.913 3.595 1.00 0.00 C ATOM 379 CG HIS A 25 -10.497 -28.923 4.593 1.00 0.00 C ATOM 380 ND1 HIS A 25 -11.574 -29.754 4.367 1.00 0.00 N ATOM 381 CD2 HIS A 25 -10.035 -29.235 5.826 1.00 0.00 C ATOM 382 CE1 HIS A 25 -11.755 -30.532 5.419 1.00 0.00 C ATOM 383 NE2 HIS A 25 -10.834 -30.237 6.319 1.00 0.00 N ATOM 0 H HIS A 25 -7.309 -28.802 4.130 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.214 -28.954 1.898 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.736 -27.002 4.121 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -10.846 -27.653 2.932 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -9.194 -28.780 6.329 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -12.525 -31.282 5.525 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -10.733 -30.681 7.232 1.00 0.00 H new ATOM 391 N THR A 26 -8.086 -26.988 0.926 1.00 0.00 N ATOM 392 CA THR A 26 -7.370 -25.880 0.306 1.00 0.00 C ATOM 393 C THR A 26 -8.250 -24.638 0.216 1.00 0.00 C ATOM 394 O THR A 26 -9.399 -24.711 -0.217 1.00 0.00 O ATOM 395 CB THR A 26 -6.877 -26.249 -1.106 1.00 0.00 C ATOM 396 OG1 THR A 26 -6.598 -27.652 -1.177 1.00 0.00 O ATOM 397 CG2 THR A 26 -5.628 -25.460 -1.467 1.00 0.00 C ATOM 0 H THR A 26 -8.608 -27.572 0.272 1.00 0.00 H new ATOM 0 HA THR A 26 -6.509 -25.667 0.939 1.00 0.00 H new ATOM 0 HB THR A 26 -7.664 -25.999 -1.818 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.287 -27.878 -2.078 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.299 -25.738 -2.468 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.851 -24.393 -1.441 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.837 -25.682 -0.750 1.00 0.00 H new ATOM 405 N MET A 27 -7.702 -23.500 0.628 1.00 0.00 N ATOM 406 CA MET A 27 -8.438 -22.241 0.592 1.00 0.00 C ATOM 407 C MET A 27 -7.494 -21.066 0.360 1.00 0.00 C ATOM 408 O MET A 27 -6.315 -21.127 0.708 1.00 0.00 O ATOM 409 CB MET A 27 -9.211 -22.040 1.897 1.00 0.00 C ATOM 410 CG MET A 27 -8.316 -21.813 3.104 1.00 0.00 C ATOM 411 SD MET A 27 -7.722 -23.353 3.828 1.00 0.00 S ATOM 412 CE MET A 27 -9.214 -23.953 4.618 1.00 0.00 C ATOM 0 H MET A 27 -6.752 -23.423 0.990 1.00 0.00 H new ATOM 0 HA MET A 27 -9.144 -22.285 -0.237 1.00 0.00 H new ATOM 0 HB2 MET A 27 -9.880 -21.187 1.786 1.00 0.00 H new ATOM 0 HB3 MET A 27 -9.836 -22.914 2.078 1.00 0.00 H new ATOM 0 HG2 MET A 27 -7.463 -21.202 2.809 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.866 -21.250 3.858 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.951 -24.511 5.517 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.848 -23.108 4.888 1.00 0.00 H new ATOM 0 HE3 MET A 27 -9.752 -24.606 3.931 1.00 0.00 H new ATOM 422 N SER A 28 -8.021 -19.997 -0.229 1.00 0.00 N ATOM 423 CA SER A 28 -7.223 -18.809 -0.511 1.00 0.00 C ATOM 424 C SER A 28 -6.465 -18.356 0.733 1.00 0.00 C ATOM 425 O SER A 28 -7.060 -18.108 1.781 1.00 0.00 O ATOM 426 CB SER A 28 -8.118 -17.676 -1.017 1.00 0.00 C ATOM 427 OG SER A 28 -8.324 -17.775 -2.416 1.00 0.00 O ATOM 0 H SER A 28 -8.996 -19.929 -0.520 1.00 0.00 H new ATOM 0 HA SER A 28 -6.498 -19.063 -1.284 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.078 -17.709 -0.502 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.662 -16.715 -0.780 1.00 0.00 H new ATOM 0 HG SER A 28 -8.900 -17.041 -2.715 1.00 0.00 H new ATOM 433 N LYS A 29 -5.146 -18.250 0.608 1.00 0.00 N ATOM 434 CA LYS A 29 -4.304 -17.826 1.720 1.00 0.00 C ATOM 435 C LYS A 29 -4.716 -16.445 2.219 1.00 0.00 C ATOM 436 O LYS A 29 -4.702 -16.181 3.421 1.00 0.00 O ATOM 437 CB LYS A 29 -2.834 -17.809 1.295 1.00 0.00 C ATOM 438 CG LYS A 29 -2.532 -16.813 0.188 1.00 0.00 C ATOM 439 CD LYS A 29 -2.083 -15.475 0.750 1.00 0.00 C ATOM 440 CE LYS A 29 -0.569 -15.403 0.875 1.00 0.00 C ATOM 441 NZ LYS A 29 -0.072 -16.169 2.051 1.00 0.00 N ATOM 0 H LYS A 29 -4.637 -18.452 -0.253 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.433 -18.540 2.534 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.217 -17.574 2.162 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.549 -18.807 0.962 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.755 -17.215 -0.462 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.420 -16.671 -0.427 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.434 -14.671 0.103 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.538 -15.319 1.728 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.111 -15.794 -0.033 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.261 -14.361 0.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.911 -15.896 2.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.666 -15.959 2.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.113 -17.187 1.844 1.00 0.00 H new ATOM 455 N GLN A 30 -5.083 -15.570 1.289 1.00 0.00 N ATOM 456 CA GLN A 30 -5.501 -14.217 1.636 1.00 0.00 C ATOM 457 C GLN A 30 -6.820 -14.233 2.400 1.00 0.00 C ATOM 458 O GLN A 30 -7.030 -13.435 3.313 1.00 0.00 O ATOM 459 CB GLN A 30 -5.638 -13.363 0.374 1.00 0.00 C ATOM 460 CG GLN A 30 -5.044 -11.971 0.513 1.00 0.00 C ATOM 461 CD GLN A 30 -5.382 -11.322 1.840 1.00 0.00 C ATOM 462 OE1 GLN A 30 -4.720 -11.565 2.850 1.00 0.00 O ATOM 463 NE2 GLN A 30 -6.417 -10.490 1.846 1.00 0.00 N ATOM 0 H GLN A 30 -5.099 -15.773 0.290 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.736 -13.782 2.279 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.151 -13.875 -0.456 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.694 -13.274 0.118 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.961 -12.030 0.407 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.409 -11.342 -0.298 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.938 -10.318 0.986 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.691 -10.023 2.711 1.00 0.00 H new ATOM 472 N ALA A 31 -7.708 -15.146 2.019 1.00 0.00 N ATOM 473 CA ALA A 31 -9.007 -15.267 2.669 1.00 0.00 C ATOM 474 C ALA A 31 -8.871 -15.884 4.057 1.00 0.00 C ATOM 475 O ALA A 31 -9.635 -15.564 4.967 1.00 0.00 O ATOM 476 CB ALA A 31 -9.951 -16.095 1.811 1.00 0.00 C ATOM 0 H ALA A 31 -7.551 -15.813 1.263 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.423 -14.266 2.785 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.917 -16.177 2.309 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.081 -15.611 0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.532 -17.091 1.666 1.00 0.00 H new ATOM 482 N TYR A 32 -7.894 -16.771 4.211 1.00 0.00 N ATOM 483 CA TYR A 32 -7.660 -17.436 5.488 1.00 0.00 C ATOM 484 C TYR A 32 -6.913 -16.519 6.451 1.00 0.00 C ATOM 485 O TYR A 32 -7.300 -16.372 7.610 1.00 0.00 O ATOM 486 CB TYR A 32 -6.867 -18.727 5.277 1.00 0.00 C ATOM 487 CG TYR A 32 -6.415 -19.378 6.564 1.00 0.00 C ATOM 488 CD1 TYR A 32 -5.227 -19.000 7.177 1.00 0.00 C ATOM 489 CD2 TYR A 32 -7.178 -20.370 7.169 1.00 0.00 C ATOM 490 CE1 TYR A 32 -4.810 -19.592 8.353 1.00 0.00 C ATOM 491 CE2 TYR A 32 -6.769 -20.967 8.346 1.00 0.00 C ATOM 492 CZ TYR A 32 -5.585 -20.575 8.934 1.00 0.00 C ATOM 493 OH TYR A 32 -5.174 -21.166 10.107 1.00 0.00 O ATOM 0 H TYR A 32 -7.252 -17.046 3.468 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.629 -17.680 5.924 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -7.481 -19.433 4.719 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.993 -18.510 4.663 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.619 -18.230 6.726 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -8.106 -20.679 6.711 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.883 -19.287 8.815 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.373 -21.737 8.803 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.833 -21.837 10.384 1.00 0.00 H new ATOM 503 N GLU A 33 -5.841 -15.904 5.961 1.00 0.00 N ATOM 504 CA GLU A 33 -5.039 -15.001 6.778 1.00 0.00 C ATOM 505 C GLU A 33 -5.766 -13.677 6.999 1.00 0.00 C ATOM 506 O GLU A 33 -5.616 -13.040 8.042 1.00 0.00 O ATOM 507 CB GLU A 33 -3.683 -14.747 6.116 1.00 0.00 C ATOM 508 CG GLU A 33 -2.769 -15.961 6.116 1.00 0.00 C ATOM 509 CD GLU A 33 -1.392 -15.654 5.559 1.00 0.00 C ATOM 510 OE1 GLU A 33 -0.958 -14.487 5.657 1.00 0.00 O ATOM 511 OE2 GLU A 33 -0.749 -16.582 5.025 1.00 0.00 O ATOM 0 H GLU A 33 -5.508 -16.015 5.003 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.879 -15.474 7.747 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.845 -14.425 5.087 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.184 -13.927 6.632 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.670 -16.336 7.134 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.226 -16.756 5.527 1.00 0.00 H new ATOM 518 N LYS A 34 -6.553 -13.270 6.010 1.00 0.00 N ATOM 519 CA LYS A 34 -7.305 -12.023 6.094 1.00 0.00 C ATOM 520 C LYS A 34 -8.727 -12.208 5.574 1.00 0.00 C ATOM 521 O LYS A 34 -9.078 -11.708 4.506 1.00 0.00 O ATOM 522 CB LYS A 34 -6.598 -10.923 5.298 1.00 0.00 C ATOM 523 CG LYS A 34 -5.176 -10.656 5.759 1.00 0.00 C ATOM 524 CD LYS A 34 -5.149 -9.859 7.052 1.00 0.00 C ATOM 525 CE LYS A 34 -4.029 -10.323 7.970 1.00 0.00 C ATOM 526 NZ LYS A 34 -4.237 -9.867 9.373 1.00 0.00 N ATOM 0 H LYS A 34 -6.687 -13.785 5.140 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.357 -11.729 7.142 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.583 -11.201 4.244 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.175 -10.002 5.376 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.656 -11.603 5.903 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.637 -10.111 4.984 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.020 -8.801 6.825 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.106 -9.961 7.564 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.968 -11.411 7.947 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.076 -9.942 7.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.322 -9.604 9.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.871 -9.043 9.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.663 -10.636 9.928 1.00 0.00 H new ATOM 540 N GLY A 35 -9.542 -12.930 6.337 1.00 0.00 N ATOM 541 CA GLY A 35 -10.916 -13.167 5.937 1.00 0.00 C ATOM 542 C GLY A 35 -11.526 -14.365 6.638 1.00 0.00 C ATOM 543 O GLY A 35 -10.937 -14.916 7.569 1.00 0.00 O ATOM 0 H GLY A 35 -9.275 -13.355 7.225 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.512 -12.281 6.154 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.956 -13.322 4.859 1.00 0.00 H new ATOM 547 N THR A 36 -12.711 -14.771 6.191 1.00 0.00 N ATOM 548 CA THR A 36 -13.402 -15.909 6.783 1.00 0.00 C ATOM 549 C THR A 36 -13.221 -17.164 5.936 1.00 0.00 C ATOM 550 O THR A 36 -13.283 -17.110 4.708 1.00 0.00 O ATOM 551 CB THR A 36 -14.907 -15.628 6.948 1.00 0.00 C ATOM 552 OG1 THR A 36 -15.108 -14.285 7.402 1.00 0.00 O ATOM 553 CG2 THR A 36 -15.534 -16.601 7.936 1.00 0.00 C ATOM 0 H THR A 36 -13.212 -14.328 5.421 1.00 0.00 H new ATOM 0 HA THR A 36 -12.960 -16.071 7.766 1.00 0.00 H new ATOM 0 HB THR A 36 -15.387 -15.759 5.978 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.672 -14.292 8.204 1.00 0.00 H new ATOM 0 HG21 THR A 36 -16.597 -16.383 8.036 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.405 -17.621 7.574 1.00 0.00 H new ATOM 0 HG23 THR A 36 -15.049 -16.497 8.907 1.00 0.00 H new ATOM 561 N VAL A 37 -12.997 -18.293 6.600 1.00 0.00 N ATOM 562 CA VAL A 37 -12.808 -19.562 5.908 1.00 0.00 C ATOM 563 C VAL A 37 -13.509 -20.699 6.644 1.00 0.00 C ATOM 564 O VAL A 37 -13.281 -20.916 7.835 1.00 0.00 O ATOM 565 CB VAL A 37 -11.314 -19.905 5.761 1.00 0.00 C ATOM 566 CG1 VAL A 37 -10.685 -19.084 4.646 1.00 0.00 C ATOM 567 CG2 VAL A 37 -10.584 -19.679 7.077 1.00 0.00 C ATOM 0 H VAL A 37 -12.942 -18.355 7.617 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.246 -19.450 4.916 1.00 0.00 H new ATOM 0 HB VAL A 37 -11.225 -20.959 5.498 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.629 -19.340 4.557 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.191 -19.300 3.705 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.783 -18.023 4.876 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.529 -19.926 6.955 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.680 -18.634 7.372 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.019 -20.315 7.848 1.00 0.00 H new ATOM 577 N LEU A 38 -14.362 -21.423 5.928 1.00 0.00 N ATOM 578 CA LEU A 38 -15.097 -22.539 6.512 1.00 0.00 C ATOM 579 C LEU A 38 -14.806 -23.835 5.762 1.00 0.00 C ATOM 580 O LEU A 38 -14.905 -23.889 4.536 1.00 0.00 O ATOM 581 CB LEU A 38 -16.599 -22.252 6.493 1.00 0.00 C ATOM 582 CG LEU A 38 -17.094 -21.198 7.484 1.00 0.00 C ATOM 583 CD1 LEU A 38 -17.232 -19.846 6.801 1.00 0.00 C ATOM 584 CD2 LEU A 38 -18.419 -21.624 8.099 1.00 0.00 C ATOM 0 H LEU A 38 -14.562 -21.257 4.942 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.769 -22.657 7.545 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.875 -21.934 5.488 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -17.129 -23.184 6.690 1.00 0.00 H new ATOM 0 HG LEU A 38 -16.359 -21.105 8.283 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -17.585 -19.109 7.522 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -16.263 -19.536 6.410 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -17.947 -19.924 5.982 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -18.756 -20.862 8.802 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -19.163 -21.746 7.312 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -18.289 -22.570 8.625 1.00 0.00 H new ATOM 596 N ILE A 39 -14.449 -24.876 6.507 1.00 0.00 N ATOM 597 CA ILE A 39 -14.147 -26.172 5.913 1.00 0.00 C ATOM 598 C ILE A 39 -15.056 -27.260 6.475 1.00 0.00 C ATOM 599 O ILE A 39 -15.333 -27.293 7.673 1.00 0.00 O ATOM 600 CB ILE A 39 -12.679 -26.572 6.150 1.00 0.00 C ATOM 601 CG1 ILE A 39 -12.297 -26.346 7.614 1.00 0.00 C ATOM 602 CG2 ILE A 39 -11.759 -25.784 5.229 1.00 0.00 C ATOM 603 CD1 ILE A 39 -11.139 -27.204 8.076 1.00 0.00 C ATOM 0 H ILE A 39 -14.362 -24.847 7.523 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.320 -26.075 4.841 1.00 0.00 H new ATOM 0 HB ILE A 39 -12.566 -27.632 5.923 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.040 -25.296 7.756 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -13.164 -26.550 8.243 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.725 -26.078 5.409 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -12.020 -25.990 4.191 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.872 -24.718 5.427 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -10.923 -26.991 9.123 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.400 -28.257 7.966 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.259 -26.983 7.472 1.00 0.00 H new ATOM 615 N SER A 40 -15.516 -28.149 5.600 1.00 0.00 N ATOM 616 CA SER A 40 -16.396 -29.238 6.008 1.00 0.00 C ATOM 617 C SER A 40 -15.613 -30.537 6.171 1.00 0.00 C ATOM 618 O SER A 40 -14.765 -30.871 5.343 1.00 0.00 O ATOM 619 CB SER A 40 -17.516 -29.429 4.983 1.00 0.00 C ATOM 620 OG SER A 40 -18.523 -30.292 5.483 1.00 0.00 O ATOM 0 H SER A 40 -15.294 -28.136 4.605 1.00 0.00 H new ATOM 0 HA SER A 40 -16.835 -28.976 6.970 1.00 0.00 H new ATOM 0 HB2 SER A 40 -17.953 -28.462 4.732 1.00 0.00 H new ATOM 0 HB3 SER A 40 -17.104 -29.841 4.062 1.00 0.00 H new ATOM 0 HG SER A 40 -19.228 -30.397 4.810 1.00 0.00 H new ATOM 626 N CYS A 41 -15.904 -31.265 7.243 1.00 0.00 N ATOM 627 CA CYS A 41 -15.227 -32.528 7.517 1.00 0.00 C ATOM 628 C CYS A 41 -15.924 -33.683 6.806 1.00 0.00 C ATOM 629 O CYS A 41 -17.106 -33.954 7.021 1.00 0.00 O ATOM 630 CB CYS A 41 -15.182 -32.791 9.022 1.00 0.00 C ATOM 631 SG CYS A 41 -14.565 -34.431 9.467 1.00 0.00 S ATOM 0 H CYS A 41 -16.604 -31.003 7.937 1.00 0.00 H new ATOM 0 HA CYS A 41 -14.207 -32.455 7.139 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -14.551 -32.037 9.493 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -16.185 -32.668 9.431 1.00 0.00 H new ATOM 0 HG CYS A 41 -15.219 -34.875 10.499 1.00 0.00 H new ATOM 636 N PRO A 42 -15.178 -34.381 5.937 1.00 0.00 N ATOM 637 CA PRO A 42 -15.704 -35.518 5.176 1.00 0.00 C ATOM 638 C PRO A 42 -15.982 -36.729 6.061 1.00 0.00 C ATOM 639 O PRO A 42 -15.317 -37.759 5.947 1.00 0.00 O ATOM 640 CB PRO A 42 -14.583 -35.828 4.181 1.00 0.00 C ATOM 641 CG PRO A 42 -13.345 -35.319 4.835 1.00 0.00 C ATOM 642 CD PRO A 42 -13.762 -34.114 5.631 1.00 0.00 C ATOM 0 HA PRO A 42 -16.659 -35.286 4.704 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -14.515 -36.898 3.982 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.756 -35.336 3.224 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.904 -36.079 5.480 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.592 -35.055 4.093 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.168 -34.007 6.539 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.641 -33.193 5.060 1.00 0.00 H new ATOM 650 N HIS A 43 -16.968 -36.598 6.942 1.00 0.00 N ATOM 651 CA HIS A 43 -17.334 -37.683 7.846 1.00 0.00 C ATOM 652 C HIS A 43 -18.577 -37.321 8.653 1.00 0.00 C ATOM 653 O HIS A 43 -19.645 -37.906 8.464 1.00 0.00 O ATOM 654 CB HIS A 43 -16.174 -38.003 8.789 1.00 0.00 C ATOM 655 CG HIS A 43 -16.282 -39.350 9.435 1.00 0.00 C ATOM 656 ND1 HIS A 43 -15.952 -40.523 8.789 1.00 0.00 N ATOM 657 CD2 HIS A 43 -16.684 -39.707 10.677 1.00 0.00 C ATOM 658 CE1 HIS A 43 -16.148 -41.543 9.605 1.00 0.00 C ATOM 659 NE2 HIS A 43 -16.591 -41.075 10.758 1.00 0.00 N ATOM 0 H HIS A 43 -17.528 -35.752 7.050 1.00 0.00 H new ATOM 0 HA HIS A 43 -17.557 -38.565 7.245 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -15.239 -37.950 8.232 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -16.126 -37.239 9.565 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -17.016 -39.040 11.459 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -15.975 -42.583 9.370 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -16.826 -41.638 11.576 1.00 0.00 H new ATOM 667 N CYS A 44 -18.431 -36.356 9.554 1.00 0.00 N ATOM 668 CA CYS A 44 -19.542 -35.917 10.391 1.00 0.00 C ATOM 669 C CYS A 44 -20.469 -34.983 9.620 1.00 0.00 C ATOM 670 O CYS A 44 -21.596 -34.723 10.041 1.00 0.00 O ATOM 671 CB CYS A 44 -19.016 -35.214 11.644 1.00 0.00 C ATOM 672 SG CYS A 44 -17.928 -33.812 11.302 1.00 0.00 S ATOM 0 H CYS A 44 -17.554 -35.863 9.724 1.00 0.00 H new ATOM 0 HA CYS A 44 -20.111 -36.798 10.689 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -19.863 -34.867 12.235 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -18.477 -35.938 12.254 1.00 0.00 H new ATOM 0 HG CYS A 44 -17.537 -33.283 12.423 1.00 0.00 H new ATOM 677 N LYS A 45 -19.985 -34.480 8.490 1.00 0.00 N ATOM 678 CA LYS A 45 -20.769 -33.573 7.659 1.00 0.00 C ATOM 679 C LYS A 45 -21.106 -32.294 8.417 1.00 0.00 C ATOM 680 O LYS A 45 -22.192 -32.163 8.983 1.00 0.00 O ATOM 681 CB LYS A 45 -22.057 -34.258 7.195 1.00 0.00 C ATOM 682 CG LYS A 45 -22.616 -33.691 5.902 1.00 0.00 C ATOM 683 CD LYS A 45 -23.946 -34.332 5.541 1.00 0.00 C ATOM 684 CE LYS A 45 -23.766 -35.774 5.094 1.00 0.00 C ATOM 685 NZ LYS A 45 -25.034 -36.354 4.569 1.00 0.00 N ATOM 0 H LYS A 45 -19.054 -34.685 8.128 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.170 -33.310 6.787 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -21.865 -35.323 7.062 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.810 -34.166 7.978 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -22.746 -32.613 6.002 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -21.902 -33.852 5.094 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -24.613 -34.297 6.402 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -24.423 -33.760 4.745 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -22.998 -35.822 4.322 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -23.413 -36.373 5.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -24.870 -37.338 4.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -25.760 -36.332 5.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -25.358 -35.798 3.752 1.00 0.00 H new ATOM 699 N VAL A 46 -20.169 -31.351 8.424 1.00 0.00 N ATOM 700 CA VAL A 46 -20.368 -30.080 9.111 1.00 0.00 C ATOM 701 C VAL A 46 -19.188 -29.142 8.883 1.00 0.00 C ATOM 702 O VAL A 46 -18.033 -29.567 8.896 1.00 0.00 O ATOM 703 CB VAL A 46 -20.562 -30.285 10.625 1.00 0.00 C ATOM 704 CG1 VAL A 46 -19.254 -30.704 11.280 1.00 0.00 C ATOM 705 CG2 VAL A 46 -21.108 -29.019 11.268 1.00 0.00 C ATOM 0 H VAL A 46 -19.265 -31.443 7.962 1.00 0.00 H new ATOM 0 HA VAL A 46 -21.270 -29.632 8.694 1.00 0.00 H new ATOM 0 HB VAL A 46 -21.288 -31.084 10.776 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.411 -30.844 12.349 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -18.909 -31.639 10.838 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -18.503 -29.930 11.122 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.239 -29.182 12.338 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -20.408 -28.199 11.109 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -22.069 -28.768 10.819 1.00 0.00 H new ATOM 715 N ARG A 47 -19.487 -27.864 8.675 1.00 0.00 N ATOM 716 CA ARG A 47 -18.451 -26.865 8.444 1.00 0.00 C ATOM 717 C ARG A 47 -17.993 -26.242 9.760 1.00 0.00 C ATOM 718 O ARG A 47 -18.807 -25.936 10.631 1.00 0.00 O ATOM 719 CB ARG A 47 -18.966 -25.774 7.503 1.00 0.00 C ATOM 720 CG ARG A 47 -19.088 -26.224 6.057 1.00 0.00 C ATOM 721 CD ARG A 47 -20.312 -27.102 5.848 1.00 0.00 C ATOM 722 NE ARG A 47 -21.037 -26.749 4.630 1.00 0.00 N ATOM 723 CZ ARG A 47 -21.886 -27.567 4.017 1.00 0.00 C ATOM 724 NH1 ARG A 47 -22.115 -28.777 4.507 1.00 0.00 N ATOM 725 NH2 ARG A 47 -22.508 -27.173 2.913 1.00 0.00 N ATOM 0 H ARG A 47 -20.438 -27.496 8.662 1.00 0.00 H new ATOM 0 HA ARG A 47 -17.599 -27.362 7.981 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.941 -25.435 7.853 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.294 -24.917 7.552 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -19.150 -25.351 5.407 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.192 -26.773 5.769 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -20.005 -28.146 5.797 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -20.977 -27.007 6.706 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.883 -25.824 4.228 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -21.639 -29.082 5.356 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -22.767 -29.403 4.035 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -22.334 -26.242 2.535 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -23.160 -27.801 2.443 1.00 0.00 H new ATOM 739 N HIS A 48 -16.683 -26.058 9.896 1.00 0.00 N ATOM 740 CA HIS A 48 -16.116 -25.472 11.106 1.00 0.00 C ATOM 741 C HIS A 48 -15.278 -24.241 10.772 1.00 0.00 C ATOM 742 O HIS A 48 -14.705 -24.144 9.686 1.00 0.00 O ATOM 743 CB HIS A 48 -15.259 -26.502 11.843 1.00 0.00 C ATOM 744 CG HIS A 48 -15.236 -27.845 11.182 1.00 0.00 C ATOM 745 ND1 HIS A 48 -16.110 -28.860 11.509 1.00 0.00 N ATOM 746 CD2 HIS A 48 -14.438 -28.337 10.206 1.00 0.00 C ATOM 747 CE1 HIS A 48 -15.849 -29.920 10.763 1.00 0.00 C ATOM 748 NE2 HIS A 48 -14.839 -29.628 9.964 1.00 0.00 N ATOM 0 H HIS A 48 -15.995 -26.306 9.185 1.00 0.00 H new ATOM 0 HA HIS A 48 -16.939 -25.166 11.752 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -14.239 -26.126 11.919 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -15.634 -26.613 12.860 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -16.843 -28.802 12.216 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -13.635 -27.812 9.710 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -16.373 -30.864 10.801 1.00 0.00 H new ATOM 756 N LEU A 49 -15.211 -23.304 11.711 1.00 0.00 N ATOM 757 CA LEU A 49 -14.444 -22.079 11.516 1.00 0.00 C ATOM 758 C LEU A 49 -12.970 -22.303 11.837 1.00 0.00 C ATOM 759 O LEU A 49 -12.631 -22.914 12.851 1.00 0.00 O ATOM 760 CB LEU A 49 -15.004 -20.958 12.394 1.00 0.00 C ATOM 761 CG LEU A 49 -14.177 -19.674 12.451 1.00 0.00 C ATOM 762 CD1 LEU A 49 -14.219 -18.952 11.113 1.00 0.00 C ATOM 763 CD2 LEU A 49 -14.678 -18.766 13.564 1.00 0.00 C ATOM 0 H LEU A 49 -15.679 -23.369 12.615 1.00 0.00 H new ATOM 0 HA LEU A 49 -14.529 -21.789 10.469 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -16.003 -20.708 12.036 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.116 -21.340 13.409 1.00 0.00 H new ATOM 0 HG LEU A 49 -13.142 -19.941 12.665 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -13.625 -18.040 11.173 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -13.812 -19.600 10.337 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -15.250 -18.697 10.869 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -14.078 -17.857 13.590 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -15.721 -18.507 13.381 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -14.595 -19.283 14.520 1.00 0.00 H new ATOM 775 N ILE A 50 -12.098 -21.804 10.967 1.00 0.00 N ATOM 776 CA ILE A 50 -10.660 -21.947 11.160 1.00 0.00 C ATOM 777 C ILE A 50 -9.994 -20.589 11.357 1.00 0.00 C ATOM 778 O ILE A 50 -9.088 -20.444 12.176 1.00 0.00 O ATOM 779 CB ILE A 50 -10.000 -22.662 9.966 1.00 0.00 C ATOM 780 CG1 ILE A 50 -10.963 -22.712 8.778 1.00 0.00 C ATOM 781 CG2 ILE A 50 -9.567 -24.066 10.363 1.00 0.00 C ATOM 782 CD1 ILE A 50 -10.358 -23.326 7.536 1.00 0.00 C ATOM 0 H ILE A 50 -12.362 -21.297 10.122 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.520 -22.551 12.057 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.115 -22.100 9.669 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -11.848 -23.282 9.061 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.296 -21.700 8.548 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -9.102 -24.559 9.509 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.850 -24.008 11.182 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -10.438 -24.639 10.683 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.097 -23.329 6.735 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.490 -22.743 7.228 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.050 -24.350 7.749 1.00 0.00 H new ATOM 794 N ALA A 51 -10.451 -19.597 10.600 1.00 0.00 N ATOM 795 CA ALA A 51 -9.902 -18.250 10.693 1.00 0.00 C ATOM 796 C ALA A 51 -10.976 -17.200 10.426 1.00 0.00 C ATOM 797 O ALA A 51 -11.283 -16.893 9.274 1.00 0.00 O ATOM 798 CB ALA A 51 -8.744 -18.083 9.720 1.00 0.00 C ATOM 0 H ALA A 51 -11.200 -19.701 9.916 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.533 -18.104 11.708 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.344 -17.072 9.801 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.961 -18.803 9.959 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -9.096 -18.254 8.703 1.00 0.00 H new ATOM 804 N ASP A 52 -11.543 -16.655 11.496 1.00 0.00 N ATOM 805 CA ASP A 52 -12.582 -15.639 11.377 1.00 0.00 C ATOM 806 C ASP A 52 -11.984 -14.238 11.457 1.00 0.00 C ATOM 807 O ASP A 52 -11.471 -13.830 12.499 1.00 0.00 O ATOM 808 CB ASP A 52 -13.633 -15.823 12.473 1.00 0.00 C ATOM 809 CG ASP A 52 -14.452 -14.569 12.705 1.00 0.00 C ATOM 810 OD1 ASP A 52 -15.231 -14.194 11.804 1.00 0.00 O ATOM 811 OD2 ASP A 52 -14.315 -13.961 13.788 1.00 0.00 O ATOM 0 H ASP A 52 -11.301 -16.900 12.456 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.060 -15.755 10.404 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -14.298 -16.643 12.201 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.139 -16.108 13.402 1.00 0.00 H new ATOM 816 N HIS A 53 -12.054 -13.506 10.350 1.00 0.00 N ATOM 817 CA HIS A 53 -11.519 -12.150 10.295 1.00 0.00 C ATOM 818 C HIS A 53 -12.619 -11.144 9.971 1.00 0.00 C ATOM 819 O HIS A 53 -12.491 -9.954 10.259 1.00 0.00 O ATOM 820 CB HIS A 53 -10.406 -12.060 9.250 1.00 0.00 C ATOM 821 CG HIS A 53 -9.030 -12.026 9.842 1.00 0.00 C ATOM 822 ND1 HIS A 53 -8.397 -10.857 10.208 1.00 0.00 N ATOM 823 CD2 HIS A 53 -8.166 -13.027 10.132 1.00 0.00 C ATOM 824 CE1 HIS A 53 -7.203 -11.140 10.696 1.00 0.00 C ATOM 825 NE2 HIS A 53 -7.038 -12.450 10.662 1.00 0.00 N ATOM 0 H HIS A 53 -12.476 -13.829 9.479 1.00 0.00 H new ATOM 0 HA HIS A 53 -11.108 -11.909 11.275 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.482 -12.913 8.576 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.556 -11.164 8.648 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.333 -14.083 9.976 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.483 -10.422 11.061 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -6.208 -12.952 10.978 1.00 0.00 H new ATOM 833 N LEU A 54 -13.699 -11.630 9.370 1.00 0.00 N ATOM 834 CA LEU A 54 -14.823 -10.774 9.006 1.00 0.00 C ATOM 835 C LEU A 54 -15.862 -10.734 10.122 1.00 0.00 C ATOM 836 O LEU A 54 -16.821 -9.964 10.065 1.00 0.00 O ATOM 837 CB LEU A 54 -15.468 -11.269 7.710 1.00 0.00 C ATOM 838 CG LEU A 54 -14.525 -11.465 6.523 1.00 0.00 C ATOM 839 CD1 LEU A 54 -15.232 -12.203 5.396 1.00 0.00 C ATOM 840 CD2 LEU A 54 -13.997 -10.124 6.035 1.00 0.00 C ATOM 0 H LEU A 54 -13.821 -12.612 9.124 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.443 -9.764 8.853 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -15.965 -12.218 7.914 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -16.243 -10.560 7.419 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.679 -12.069 6.851 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.545 -12.333 4.560 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.561 -13.180 5.751 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -16.097 -11.625 5.069 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -13.327 -10.282 5.190 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -14.832 -9.496 5.724 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.453 -9.632 6.841 1.00 0.00 H new ATOM 852 N LYS A 55 -15.663 -11.568 11.138 1.00 0.00 N ATOM 853 CA LYS A 55 -16.580 -11.627 12.270 1.00 0.00 C ATOM 854 C LYS A 55 -18.022 -11.773 11.795 1.00 0.00 C ATOM 855 O LYS A 55 -18.910 -11.049 12.246 1.00 0.00 O ATOM 856 CB LYS A 55 -16.441 -10.369 13.131 1.00 0.00 C ATOM 857 CG LYS A 55 -15.053 -10.188 13.722 1.00 0.00 C ATOM 858 CD LYS A 55 -14.746 -8.723 13.984 1.00 0.00 C ATOM 859 CE LYS A 55 -15.513 -8.199 15.188 1.00 0.00 C ATOM 860 NZ LYS A 55 -16.885 -7.749 14.820 1.00 0.00 N ATOM 0 H LYS A 55 -14.875 -12.212 11.200 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.323 -12.501 12.869 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -16.686 -9.496 12.526 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -17.169 -10.411 13.941 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.977 -10.749 14.653 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.309 -10.600 13.040 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -13.676 -8.599 14.151 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -15.002 -8.134 13.104 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -15.578 -8.980 15.945 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.966 -7.368 15.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -17.167 -6.958 15.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -16.894 -7.437 13.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -17.553 -8.537 14.941 1.00 0.00 H new ATOM 874 N ILE A 56 -18.248 -12.715 10.886 1.00 0.00 N ATOM 875 CA ILE A 56 -19.583 -12.958 10.353 1.00 0.00 C ATOM 876 C ILE A 56 -20.447 -13.713 11.358 1.00 0.00 C ATOM 877 O ILE A 56 -21.577 -13.315 11.643 1.00 0.00 O ATOM 878 CB ILE A 56 -19.528 -13.758 9.038 1.00 0.00 C ATOM 879 CG1 ILE A 56 -18.450 -13.187 8.114 1.00 0.00 C ATOM 880 CG2 ILE A 56 -20.885 -13.742 8.351 1.00 0.00 C ATOM 881 CD1 ILE A 56 -18.311 -13.942 6.810 1.00 0.00 C ATOM 0 H ILE A 56 -17.524 -13.323 10.503 1.00 0.00 H new ATOM 0 HA ILE A 56 -20.026 -11.982 10.156 1.00 0.00 H new ATOM 0 HB ILE A 56 -19.272 -14.792 9.269 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -18.683 -12.144 7.898 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -17.493 -13.198 8.635 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -20.830 -14.311 7.423 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -21.631 -14.190 9.008 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -21.168 -12.713 8.129 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -17.529 -13.482 6.205 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -18.047 -14.979 7.016 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -19.256 -13.909 6.268 1.00 0.00 H new ATOM 893 N PHE A 57 -19.907 -14.802 11.894 1.00 0.00 N ATOM 894 CA PHE A 57 -20.628 -15.613 12.868 1.00 0.00 C ATOM 895 C PHE A 57 -20.561 -14.982 14.256 1.00 0.00 C ATOM 896 O PHE A 57 -21.177 -15.472 15.203 1.00 0.00 O ATOM 897 CB PHE A 57 -20.052 -17.030 12.911 1.00 0.00 C ATOM 898 CG PHE A 57 -19.876 -17.646 11.552 1.00 0.00 C ATOM 899 CD1 PHE A 57 -20.959 -17.806 10.704 1.00 0.00 C ATOM 900 CD2 PHE A 57 -18.627 -18.067 11.125 1.00 0.00 C ATOM 901 CE1 PHE A 57 -20.800 -18.373 9.453 1.00 0.00 C ATOM 902 CE2 PHE A 57 -18.462 -18.633 9.875 1.00 0.00 C ATOM 903 CZ PHE A 57 -19.550 -18.788 9.039 1.00 0.00 C ATOM 0 H PHE A 57 -18.972 -15.144 11.670 1.00 0.00 H new ATOM 0 HA PHE A 57 -21.672 -15.663 12.560 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -19.088 -17.007 13.418 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -20.710 -17.663 13.506 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -21.939 -17.484 11.023 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -17.773 -17.952 11.776 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -21.653 -18.491 8.801 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -17.483 -18.954 9.552 1.00 0.00 H new ATOM 0 HZ PHE A 57 -19.423 -19.233 8.063 1.00 0.00 H new ATOM 913 N HIS A 58 -19.807 -13.893 14.369 1.00 0.00 N ATOM 914 CA HIS A 58 -19.658 -13.195 15.641 1.00 0.00 C ATOM 915 C HIS A 58 -21.017 -12.771 16.190 1.00 0.00 C ATOM 916 O HIS A 58 -21.240 -12.786 17.400 1.00 0.00 O ATOM 917 CB HIS A 58 -18.758 -11.970 15.472 1.00 0.00 C ATOM 918 CG HIS A 58 -18.462 -11.263 16.759 1.00 0.00 C ATOM 919 ND1 HIS A 58 -19.319 -10.345 17.328 1.00 0.00 N ATOM 920 CD2 HIS A 58 -17.396 -11.346 17.589 1.00 0.00 C ATOM 921 CE1 HIS A 58 -18.792 -9.892 18.451 1.00 0.00 C ATOM 922 NE2 HIS A 58 -17.625 -10.484 18.633 1.00 0.00 N ATOM 0 H HIS A 58 -19.290 -13.475 13.595 1.00 0.00 H new ATOM 0 HA HIS A 58 -19.196 -13.880 16.352 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -17.819 -12.280 15.013 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -19.234 -11.271 14.784 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -16.527 -11.973 17.455 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -19.239 -9.162 19.109 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -16.996 -10.326 19.421 1.00 0.00 H new ATOM 930 N ASP A 59 -21.920 -12.392 15.292 1.00 0.00 N ATOM 931 CA ASP A 59 -23.257 -11.964 15.687 1.00 0.00 C ATOM 932 C ASP A 59 -24.219 -13.148 15.721 1.00 0.00 C ATOM 933 O ASP A 59 -25.429 -12.974 15.865 1.00 0.00 O ATOM 934 CB ASP A 59 -23.778 -10.896 14.724 1.00 0.00 C ATOM 935 CG ASP A 59 -22.661 -10.073 14.113 1.00 0.00 C ATOM 936 OD1 ASP A 59 -22.288 -9.041 14.712 1.00 0.00 O ATOM 937 OD2 ASP A 59 -22.160 -10.460 13.037 1.00 0.00 O ATOM 0 H ASP A 59 -21.751 -12.372 14.286 1.00 0.00 H new ATOM 0 HA ASP A 59 -23.195 -11.540 16.689 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -24.349 -11.375 13.929 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -24.463 -10.235 15.255 1.00 0.00 H new ATOM 942 N HIS A 60 -23.672 -14.352 15.588 1.00 0.00 N ATOM 943 CA HIS A 60 -24.482 -15.565 15.603 1.00 0.00 C ATOM 944 C HIS A 60 -25.851 -15.313 14.978 1.00 0.00 C ATOM 945 O HIS A 60 -26.882 -15.652 15.560 1.00 0.00 O ATOM 946 CB HIS A 60 -24.648 -16.075 17.035 1.00 0.00 C ATOM 947 CG HIS A 60 -25.005 -15.000 18.015 1.00 0.00 C ATOM 948 ND1 HIS A 60 -26.163 -14.327 18.208 1.00 0.00 N flip ATOM 949 CD2 HIS A 60 -24.115 -14.502 18.943 1.00 0.00 C flip ATOM 950 CE1 HIS A 60 -25.954 -13.444 19.239 1.00 0.00 C flip ATOM 951 NE2 HIS A 60 -24.710 -13.570 19.666 1.00 0.00 N flip ATOM 0 H HIS A 60 -22.672 -14.514 15.469 1.00 0.00 H new ATOM 0 HA HIS A 60 -23.967 -16.323 15.013 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -25.422 -16.842 17.051 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -23.720 -16.551 17.352 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -23.091 -14.824 19.061 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -26.687 -12.758 19.636 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -24.282 -13.039 20.424 1.00 0.00 H new ATOM 959 N HIS A 61 -25.853 -14.715 13.791 1.00 0.00 N ATOM 960 CA HIS A 61 -27.095 -14.416 13.088 1.00 0.00 C ATOM 961 C HIS A 61 -26.993 -14.806 11.616 1.00 0.00 C ATOM 962 O HIS A 61 -27.865 -14.471 10.813 1.00 0.00 O ATOM 963 CB HIS A 61 -27.433 -12.930 13.212 1.00 0.00 C ATOM 964 CG HIS A 61 -28.495 -12.640 14.227 1.00 0.00 C ATOM 965 ND1 HIS A 61 -29.729 -12.119 13.897 1.00 0.00 N ATOM 966 CD2 HIS A 61 -28.504 -12.802 15.571 1.00 0.00 C ATOM 967 CE1 HIS A 61 -30.450 -11.972 14.994 1.00 0.00 C ATOM 968 NE2 HIS A 61 -29.729 -12.379 16.024 1.00 0.00 N ATOM 0 H HIS A 61 -25.009 -14.428 13.296 1.00 0.00 H new ATOM 0 HA HIS A 61 -27.892 -15.001 13.547 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -26.529 -12.381 13.477 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -27.759 -12.558 12.241 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -27.698 -13.192 16.175 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -31.457 -11.585 15.041 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -30.033 -12.379 16.998 1.00 0.00 H new ATOM 976 N VAL A 62 -25.923 -15.514 11.269 1.00 0.00 N ATOM 977 CA VAL A 62 -25.708 -15.949 9.894 1.00 0.00 C ATOM 978 C VAL A 62 -25.246 -17.401 9.843 1.00 0.00 C ATOM 979 O VAL A 62 -24.392 -17.821 10.625 1.00 0.00 O ATOM 980 CB VAL A 62 -24.666 -15.065 9.183 1.00 0.00 C ATOM 981 CG1 VAL A 62 -23.322 -15.149 9.890 1.00 0.00 C ATOM 982 CG2 VAL A 62 -24.535 -15.468 7.722 1.00 0.00 C ATOM 0 H VAL A 62 -25.192 -15.798 11.921 1.00 0.00 H new ATOM 0 HA VAL A 62 -26.664 -15.857 9.379 1.00 0.00 H new ATOM 0 HB VAL A 62 -25.006 -14.030 9.222 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -22.599 -14.518 9.373 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -23.431 -14.808 10.920 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -22.972 -16.181 9.885 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -23.795 -14.833 7.234 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -24.219 -16.509 7.659 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -25.498 -15.351 7.224 1.00 0.00 H new ATOM 992 N THR A 63 -25.815 -18.165 8.917 1.00 0.00 N ATOM 993 CA THR A 63 -25.463 -19.571 8.764 1.00 0.00 C ATOM 994 C THR A 63 -24.523 -19.777 7.582 1.00 0.00 C ATOM 995 O THR A 63 -24.389 -18.905 6.722 1.00 0.00 O ATOM 996 CB THR A 63 -26.715 -20.446 8.567 1.00 0.00 C ATOM 997 OG1 THR A 63 -26.347 -21.829 8.534 1.00 0.00 O ATOM 998 CG2 THR A 63 -27.436 -20.077 7.279 1.00 0.00 C ATOM 0 H THR A 63 -26.522 -17.834 8.261 1.00 0.00 H new ATOM 0 HA THR A 63 -24.959 -19.872 9.683 1.00 0.00 H new ATOM 0 HB THR A 63 -27.389 -20.270 9.405 1.00 0.00 H new ATOM 0 HG1 THR A 63 -27.149 -22.378 8.410 1.00 0.00 H new ATOM 0 HG21 THR A 63 -28.317 -20.708 7.161 1.00 0.00 H new ATOM 0 HG22 THR A 63 -27.742 -19.032 7.320 1.00 0.00 H new ATOM 0 HG23 THR A 63 -26.767 -20.227 6.432 1.00 0.00 H new ATOM 1006 N VAL A 64 -23.872 -20.935 7.543 1.00 0.00 N ATOM 1007 CA VAL A 64 -22.945 -21.256 6.465 1.00 0.00 C ATOM 1008 C VAL A 64 -23.624 -21.143 5.104 1.00 0.00 C ATOM 1009 O VAL A 64 -23.023 -20.677 4.137 1.00 0.00 O ATOM 1010 CB VAL A 64 -22.370 -22.676 6.623 1.00 0.00 C ATOM 1011 CG1 VAL A 64 -21.378 -22.978 5.509 1.00 0.00 C ATOM 1012 CG2 VAL A 64 -21.717 -22.837 7.987 1.00 0.00 C ATOM 0 H VAL A 64 -23.970 -21.667 8.246 1.00 0.00 H new ATOM 0 HA VAL A 64 -22.131 -20.534 6.523 1.00 0.00 H new ATOM 0 HB VAL A 64 -23.189 -23.391 6.551 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -20.982 -23.986 5.637 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -21.881 -22.906 4.545 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -20.559 -22.259 5.546 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -21.316 -23.846 8.082 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -20.908 -22.114 8.091 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -22.458 -22.666 8.768 1.00 0.00 H new ATOM 1022 N GLU A 65 -24.880 -21.574 5.039 1.00 0.00 N ATOM 1023 CA GLU A 65 -25.641 -21.521 3.796 1.00 0.00 C ATOM 1024 C GLU A 65 -25.822 -20.079 3.330 1.00 0.00 C ATOM 1025 O GLU A 65 -25.767 -19.792 2.134 1.00 0.00 O ATOM 1026 CB GLU A 65 -27.007 -22.185 3.979 1.00 0.00 C ATOM 1027 CG GLU A 65 -26.928 -23.681 4.228 1.00 0.00 C ATOM 1028 CD GLU A 65 -26.657 -24.018 5.681 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -27.629 -24.118 6.459 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -25.473 -24.182 6.041 1.00 0.00 O ATOM 0 H GLU A 65 -25.391 -21.963 5.831 1.00 0.00 H new ATOM 0 HA GLU A 65 -25.081 -22.063 3.034 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -27.522 -21.713 4.816 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -27.611 -22.005 3.090 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -27.864 -24.147 3.920 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -26.140 -24.108 3.607 1.00 0.00 H new ATOM 1037 N GLN A 66 -26.039 -19.178 4.282 1.00 0.00 N ATOM 1038 CA GLN A 66 -26.230 -17.767 3.969 1.00 0.00 C ATOM 1039 C GLN A 66 -24.966 -17.168 3.362 1.00 0.00 C ATOM 1040 O GLN A 66 -25.032 -16.360 2.435 1.00 0.00 O ATOM 1041 CB GLN A 66 -26.622 -16.992 5.229 1.00 0.00 C ATOM 1042 CG GLN A 66 -28.124 -16.871 5.426 1.00 0.00 C ATOM 1043 CD GLN A 66 -28.496 -15.809 6.442 1.00 0.00 C ATOM 1044 OE1 GLN A 66 -28.897 -16.120 7.564 1.00 0.00 O ATOM 1045 NE2 GLN A 66 -28.364 -14.546 6.054 1.00 0.00 N ATOM 0 H GLN A 66 -26.087 -19.400 5.276 1.00 0.00 H new ATOM 0 HA GLN A 66 -27.034 -17.689 3.238 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -26.188 -17.486 6.099 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -26.189 -15.993 5.181 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -28.594 -16.635 4.471 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -28.523 -17.833 5.749 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -28.028 -14.334 5.115 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -28.599 -13.788 6.695 1.00 0.00 H new ATOM 1054 N LEU A 67 -23.815 -17.570 3.890 1.00 0.00 N ATOM 1055 CA LEU A 67 -22.534 -17.073 3.400 1.00 0.00 C ATOM 1056 C LEU A 67 -22.375 -17.352 1.909 1.00 0.00 C ATOM 1057 O LEU A 67 -21.819 -16.539 1.171 1.00 0.00 O ATOM 1058 CB LEU A 67 -21.384 -17.717 4.176 1.00 0.00 C ATOM 1059 CG LEU A 67 -20.720 -16.844 5.241 1.00 0.00 C ATOM 1060 CD1 LEU A 67 -21.574 -16.792 6.498 1.00 0.00 C ATOM 1061 CD2 LEU A 67 -19.325 -17.362 5.562 1.00 0.00 C ATOM 0 H LEU A 67 -23.743 -18.238 4.657 1.00 0.00 H new ATOM 0 HA LEU A 67 -22.509 -15.994 3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -21.758 -18.620 4.657 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -20.621 -18.029 3.463 1.00 0.00 H new ATOM 0 HG LEU A 67 -20.628 -15.832 4.848 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.085 -16.166 7.244 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -22.551 -16.373 6.257 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -21.699 -17.799 6.895 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -18.868 -16.728 6.322 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -19.393 -18.384 5.935 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -18.714 -17.345 4.660 1.00 0.00 H new ATOM 1073 N MET A 68 -22.871 -18.505 1.472 1.00 0.00 N ATOM 1074 CA MET A 68 -22.787 -18.889 0.068 1.00 0.00 C ATOM 1075 C MET A 68 -23.746 -18.060 -0.781 1.00 0.00 C ATOM 1076 O MET A 68 -23.428 -17.687 -1.910 1.00 0.00 O ATOM 1077 CB MET A 68 -23.101 -20.378 -0.095 1.00 0.00 C ATOM 1078 CG MET A 68 -22.127 -21.287 0.635 1.00 0.00 C ATOM 1079 SD MET A 68 -22.340 -23.025 0.201 1.00 0.00 S ATOM 1080 CE MET A 68 -22.877 -23.702 1.770 1.00 0.00 C ATOM 0 H MET A 68 -23.335 -19.189 2.070 1.00 0.00 H new ATOM 0 HA MET A 68 -21.770 -18.699 -0.274 1.00 0.00 H new ATOM 0 HB2 MET A 68 -24.109 -20.571 0.271 1.00 0.00 H new ATOM 0 HB3 MET A 68 -23.094 -20.629 -1.156 1.00 0.00 H new ATOM 0 HG2 MET A 68 -21.107 -20.981 0.403 1.00 0.00 H new ATOM 0 HG3 MET A 68 -22.259 -21.166 1.710 1.00 0.00 H new ATOM 0 HE1 MET A 68 -23.700 -24.397 1.604 1.00 0.00 H new ATOM 0 HE2 MET A 68 -22.047 -24.228 2.242 1.00 0.00 H new ATOM 0 HE3 MET A 68 -23.211 -22.893 2.420 1.00 0.00 H new ATOM 1254 N ASP A 81 -16.441 -26.433 0.860 1.00 0.00 N ATOM 1255 CA ASP A 81 -15.333 -25.517 1.107 1.00 0.00 C ATOM 1256 C ASP A 81 -15.651 -24.123 0.575 1.00 0.00 C ATOM 1257 O ASP A 81 -16.106 -23.969 -0.559 1.00 0.00 O ATOM 1258 CB ASP A 81 -14.053 -26.045 0.456 1.00 0.00 C ATOM 1259 CG ASP A 81 -12.989 -24.974 0.318 1.00 0.00 C ATOM 1260 OD1 ASP A 81 -12.529 -24.458 1.358 1.00 0.00 O ATOM 1261 OD2 ASP A 81 -12.617 -24.651 -0.830 1.00 0.00 O ATOM 0 HA ASP A 81 -15.183 -25.449 2.184 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.660 -26.869 1.051 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.289 -26.447 -0.529 1.00 0.00 H new ATOM 1266 N LEU A 82 -15.409 -23.111 1.400 1.00 0.00 N ATOM 1267 CA LEU A 82 -15.670 -21.729 1.014 1.00 0.00 C ATOM 1268 C LEU A 82 -14.650 -20.786 1.642 1.00 0.00 C ATOM 1269 O LEU A 82 -14.111 -21.064 2.713 1.00 0.00 O ATOM 1270 CB LEU A 82 -17.084 -21.321 1.431 1.00 0.00 C ATOM 1271 CG LEU A 82 -17.393 -21.404 2.926 1.00 0.00 C ATOM 1272 CD1 LEU A 82 -16.902 -20.155 3.642 1.00 0.00 C ATOM 1273 CD2 LEU A 82 -18.885 -21.598 3.152 1.00 0.00 C ATOM 0 H LEU A 82 -15.032 -23.221 2.341 1.00 0.00 H new ATOM 0 HA LEU A 82 -15.583 -21.658 -0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -17.257 -20.297 1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -17.795 -21.952 0.898 1.00 0.00 H new ATOM 0 HG LEU A 82 -16.868 -22.265 3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -17.130 -20.231 4.705 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -15.825 -20.059 3.508 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -17.399 -19.278 3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -19.087 -21.655 4.222 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -19.430 -20.757 2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -19.209 -22.522 2.672 1.00 0.00 H new ATOM 1285 N GLU A 83 -14.393 -19.668 0.970 1.00 0.00 N ATOM 1286 CA GLU A 83 -13.438 -18.683 1.465 1.00 0.00 C ATOM 1287 C GLU A 83 -13.886 -17.267 1.114 1.00 0.00 C ATOM 1288 O GLU A 83 -14.355 -17.009 0.005 1.00 0.00 O ATOM 1289 CB GLU A 83 -12.049 -18.949 0.881 1.00 0.00 C ATOM 1290 CG GLU A 83 -12.027 -19.007 -0.637 1.00 0.00 C ATOM 1291 CD GLU A 83 -11.945 -17.632 -1.272 1.00 0.00 C ATOM 1292 OE1 GLU A 83 -11.180 -16.788 -0.761 1.00 0.00 O ATOM 1293 OE2 GLU A 83 -12.645 -17.401 -2.280 1.00 0.00 O ATOM 0 H GLU A 83 -14.832 -19.422 0.083 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.392 -18.773 2.550 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.368 -18.167 1.216 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.672 -19.892 1.278 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.175 -19.605 -0.962 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.925 -19.514 -0.991 1.00 0.00 H new ATOM 1300 N PHE A 84 -13.740 -16.353 2.067 1.00 0.00 N ATOM 1301 CA PHE A 84 -14.131 -14.963 1.861 1.00 0.00 C ATOM 1302 C PHE A 84 -13.007 -14.016 2.271 1.00 0.00 C ATOM 1303 O PHE A 84 -12.323 -14.243 3.268 1.00 0.00 O ATOM 1304 CB PHE A 84 -15.398 -14.644 2.657 1.00 0.00 C ATOM 1305 CG PHE A 84 -16.602 -15.418 2.202 1.00 0.00 C ATOM 1306 CD1 PHE A 84 -17.357 -14.980 1.126 1.00 0.00 C ATOM 1307 CD2 PHE A 84 -16.979 -16.583 2.850 1.00 0.00 C ATOM 1308 CE1 PHE A 84 -18.466 -15.690 0.706 1.00 0.00 C ATOM 1309 CE2 PHE A 84 -18.087 -17.297 2.435 1.00 0.00 C ATOM 1310 CZ PHE A 84 -18.831 -16.850 1.360 1.00 0.00 C ATOM 0 H PHE A 84 -13.354 -16.550 2.990 1.00 0.00 H new ATOM 0 HA PHE A 84 -14.333 -14.822 0.799 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -15.218 -14.854 3.711 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -15.610 -13.578 2.576 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -17.076 -14.074 0.610 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -16.400 -16.938 3.690 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -19.047 -15.338 -0.133 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -18.371 -18.203 2.950 1.00 0.00 H new ATOM 0 HZ PHE A 84 -19.696 -17.407 1.032 1.00 0.00 H new ATOM 1320 N GLU A 85 -12.824 -12.953 1.493 1.00 0.00 N ATOM 1321 CA GLU A 85 -11.782 -11.972 1.774 1.00 0.00 C ATOM 1322 C GLU A 85 -12.389 -10.602 2.061 1.00 0.00 C ATOM 1323 O GLU A 85 -11.737 -9.731 2.637 1.00 0.00 O ATOM 1324 CB GLU A 85 -10.811 -11.875 0.596 1.00 0.00 C ATOM 1325 CG GLU A 85 -9.808 -10.741 0.725 1.00 0.00 C ATOM 1326 CD GLU A 85 -8.844 -10.678 -0.443 1.00 0.00 C ATOM 1327 OE1 GLU A 85 -8.197 -11.705 -0.736 1.00 0.00 O ATOM 1328 OE2 GLU A 85 -8.737 -9.600 -1.066 1.00 0.00 O ATOM 0 H GLU A 85 -13.383 -12.750 0.664 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.237 -12.302 2.658 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.271 -12.817 0.503 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.381 -11.742 -0.324 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.343 -9.795 0.801 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.244 -10.863 1.650 1.00 0.00 H new ATOM 1335 N ASP A 86 -13.641 -10.419 1.654 1.00 0.00 N ATOM 1336 CA ASP A 86 -14.337 -9.155 1.867 1.00 0.00 C ATOM 1337 C ASP A 86 -15.847 -9.343 1.764 1.00 0.00 C ATOM 1338 O ASP A 86 -16.410 -9.340 0.669 1.00 0.00 O ATOM 1339 CB ASP A 86 -13.870 -8.113 0.850 1.00 0.00 C ATOM 1340 CG ASP A 86 -14.033 -8.587 -0.581 1.00 0.00 C ATOM 1341 OD1 ASP A 86 -13.293 -9.506 -0.990 1.00 0.00 O ATOM 1342 OD2 ASP A 86 -14.900 -8.038 -1.293 1.00 0.00 O ATOM 0 H ASP A 86 -14.194 -11.130 1.175 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.100 -8.803 2.871 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.436 -7.192 0.991 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -12.822 -7.874 1.034 1.00 0.00 H new ATOM 1347 N ILE A 87 -16.497 -9.507 2.911 1.00 0.00 N ATOM 1348 CA ILE A 87 -17.942 -9.696 2.950 1.00 0.00 C ATOM 1349 C ILE A 87 -18.660 -8.612 2.154 1.00 0.00 C ATOM 1350 O ILE A 87 -18.145 -7.512 1.952 1.00 0.00 O ATOM 1351 CB ILE A 87 -18.472 -9.692 4.396 1.00 0.00 C ATOM 1352 CG1 ILE A 87 -17.856 -8.534 5.184 1.00 0.00 C ATOM 1353 CG2 ILE A 87 -18.173 -11.021 5.074 1.00 0.00 C ATOM 1354 CD1 ILE A 87 -18.479 -8.332 6.547 1.00 0.00 C ATOM 0 H ILE A 87 -16.046 -9.513 3.826 1.00 0.00 H new ATOM 0 HA ILE A 87 -18.145 -10.668 2.500 1.00 0.00 H new ATOM 0 HB ILE A 87 -19.553 -9.555 4.371 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -16.788 -8.715 5.305 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -17.960 -7.616 4.606 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -18.554 -11.002 6.095 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -18.655 -11.828 4.522 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -17.096 -11.186 5.091 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -17.993 -7.495 7.049 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -19.542 -8.120 6.433 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -18.351 -9.236 7.143 1.00 0.00 H new ATOM 1366 N PRO A 88 -19.879 -8.927 1.691 1.00 0.00 N ATOM 1367 CA PRO A 88 -20.695 -7.991 0.911 1.00 0.00 C ATOM 1368 C PRO A 88 -21.208 -6.828 1.753 1.00 0.00 C ATOM 1369 O PRO A 88 -20.790 -6.646 2.897 1.00 0.00 O ATOM 1370 CB PRO A 88 -21.862 -8.857 0.428 1.00 0.00 C ATOM 1371 CG PRO A 88 -21.960 -9.954 1.430 1.00 0.00 C ATOM 1372 CD PRO A 88 -20.554 -10.219 1.893 1.00 0.00 C ATOM 0 HA PRO A 88 -20.126 -7.528 0.104 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -22.787 -8.283 0.378 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -21.676 -9.250 -0.572 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -22.598 -9.664 2.265 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -22.400 -10.848 0.988 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.527 -10.528 2.938 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.083 -11.013 1.314 1.00 0.00 H new ATOM 1380 N ASP A 89 -22.115 -6.044 1.181 1.00 0.00 N ATOM 1381 CA ASP A 89 -22.686 -4.899 1.880 1.00 0.00 C ATOM 1382 C ASP A 89 -24.108 -5.199 2.344 1.00 0.00 C ATOM 1383 O ASP A 89 -24.615 -4.571 3.273 1.00 0.00 O ATOM 1384 CB ASP A 89 -22.681 -3.667 0.974 1.00 0.00 C ATOM 1385 CG ASP A 89 -21.297 -3.068 0.820 1.00 0.00 C ATOM 1386 OD1 ASP A 89 -20.308 -3.782 1.086 1.00 0.00 O ATOM 1387 OD2 ASP A 89 -21.203 -1.884 0.434 1.00 0.00 O ATOM 0 H ASP A 89 -22.471 -6.181 0.235 1.00 0.00 H new ATOM 0 HA ASP A 89 -22.072 -4.697 2.758 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -23.067 -3.940 -0.008 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -23.356 -2.915 1.384 1.00 0.00 H new ATOM 1392 N SER A 90 -24.747 -6.163 1.689 1.00 0.00 N ATOM 1393 CA SER A 90 -26.113 -6.544 2.030 1.00 0.00 C ATOM 1394 C SER A 90 -26.155 -7.279 3.367 1.00 0.00 C ATOM 1395 O SER A 90 -27.116 -7.156 4.127 1.00 0.00 O ATOM 1396 CB SER A 90 -26.709 -7.426 0.932 1.00 0.00 C ATOM 1397 OG SER A 90 -28.119 -7.296 0.883 1.00 0.00 O ATOM 0 H SER A 90 -24.341 -6.695 0.919 1.00 0.00 H new ATOM 0 HA SER A 90 -26.706 -5.634 2.117 1.00 0.00 H new ATOM 0 HB2 SER A 90 -26.282 -7.151 -0.032 1.00 0.00 H new ATOM 0 HB3 SER A 90 -26.443 -8.467 1.113 1.00 0.00 H new ATOM 0 HG SER A 90 -28.476 -7.869 0.172 1.00 0.00 H new ATOM 1403 N LEU A 91 -25.104 -8.042 3.647 1.00 0.00 N ATOM 1404 CA LEU A 91 -25.019 -8.798 4.892 1.00 0.00 C ATOM 1405 C LEU A 91 -24.830 -7.865 6.084 1.00 0.00 C ATOM 1406 O LEU A 91 -25.626 -7.872 7.024 1.00 0.00 O ATOM 1407 CB LEU A 91 -23.864 -9.799 4.826 1.00 0.00 C ATOM 1408 CG LEU A 91 -24.069 -11.000 3.902 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -22.815 -11.860 3.859 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -25.267 -11.822 4.354 1.00 0.00 C ATOM 0 H LEU A 91 -24.300 -8.154 3.030 1.00 0.00 H new ATOM 0 HA LEU A 91 -25.955 -9.340 5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -22.967 -9.268 4.506 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -23.672 -10.169 5.833 1.00 0.00 H new ATOM 0 HG LEU A 91 -24.266 -10.631 2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -22.979 -12.710 3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -21.979 -11.267 3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -22.586 -12.220 4.862 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -25.398 -12.673 3.685 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -25.099 -12.181 5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -26.163 -11.202 4.332 1.00 0.00 H new